Monomer phi phi phi Phi Phi Phi Phi Phi Phi Phi Phi Phi Phi Phi Phi Phi Phi Phi Phi Phi Phi Phi Phi Phi Phi
Spec1 torsion torsion circular Torsion Torsion Torsion Torsion Torsion Torsion Torsion Torsion Torsion Torsion Torsion Torsion Torsion Torsion Torsion Torsion Torsion Torsion Torsion Torsion Torsion Torsion
CALCYC1 min_value max_value variance CALCYC1 CALCYC2 CALCYC3 CALCYC4 CALCYC5 CALCYC6 CALCYC7 CALCYC8 CALCYC9 CALCYC10 CALCYC11 CALCYC12 CALCYC13 CALCYC14 CALCYC15 CALCYC16 CALCYC17 CALCYC18 CALCYC19 CALCYC20 CALCYC21 CALCYC22
MET_A1 --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- ---
ALA_A2 -164.3 166.6 0.6311 69.3 -102.1 -135.7 -80.3 -112.2 90.6 -63.9 -162.4 -146.7 86.9 -162.1 129.2 -110.0 -61.3 -164.3 -146.5 -69.3 53.9 166.6 -159.7 -97.3 96.3
SER_A3 -172.6 -48.2 0.1981 -79.6 -67.3 -74.3 -172.6 -159.0 -62.6 -50.8 -168.1 -53.0 -60.4 -66.1 -73.4 -84.3 -64.9 -70.8 -68.4 -68.8 -48.2 -70.2 -75.7 -162.7 -74.4
PRO_A4 -57.1 -25.5 0.0077 -44.2 -48.9 -49.7 -44.7 -43.3 -52.5 -36.1 -44.7 -55.4 -47.1 -50.8 -57.1 -25.5 -54.2 -51.2 -50.7 -47.3 -37.4 -44.2 -47.0 -55.8 -51.0
LEU_A5 -69.6 76.2 0.0831 -63.3 -64.0 -64.1 -62.5 -66.2 -63.7 -55.9 -60.7 -54.2 -56.6 -57.2 76.2 -51.7 -69.6 -65.4 -52.4 -48.3 -66.9 -49.8 -64.7 -56.2 -65.8
ASP_A6 -64.1 -31.6 0.0078 -55.9 -56.2 -57.2 -59.8 -64.1 -31.6 -60.1 -54.7 -51.7 -56.0 -48.0 -42.9 -55.1 -53.5 -50.1 -45.3 -61.8 -58.8 -60.5 -46.7 -55.6 -53.5
GLN_A7 -70.2 -31.2 0.0086 -57.5 -54.5 -52.5 -65.2 -48.7 -60.4 -63.7 -65.6 -63.3 -60.8 -58.2 -31.2 -61.0 -54.5 -56.2 -59.2 -70.2 -54.8 -51.3 -60.2 -57.6 -55.6
ALA_A8 -71.1 -48.0 0.0028 -59.8 -56.8 -56.2 -58.0 -61.6 -60.3 -59.4 -57.9 -58.7 -65.6 -58.0 -59.8 -61.4 -55.9 -57.7 -64.3 -60.0 -59.2 -71.1 -48.0 -58.3 -64.6
ILE_A9 -91.4 -49.3 0.012 -53.8 -52.2 -53.6 -58.4 -54.2 -53.0 -53.2 -55.5 -58.3 -75.5 -55.7 -60.9 -57.9 -53.8 -61.1 -51.6 -53.8 -61.2 -91.4 -49.3 -58.0 -54.0
GLY_A10 -57.7 -41.6 0.002 -48.5 -49.4 -49.4 -47.7 -51.7 -46.6 -43.0 -42.0 -45.4 -45.4 -47.5 -44.8 -44.9 -48.6 -50.0 -50.4 -51.3 -51.4 -41.6 -57.7 -50.6 -48.2
LEU_A11 -82.1 -42.4 0.0071 -63.4 -59.6 -62.2 -58.6 -58.4 -57.5 -61.9 -55.3 -54.6 -52.7 -57.1 -66.2 -82.1 -60.1 -56.1 -60.5 -54.3 -60.2 -42.4 -58.0 -57.2 -54.6
LEU_A12 -69.2 -49.6 0.0035 -54.1 -60.1 -58.2 -63.6 -59.2 -60.2 -55.2 -59.7 -60.4 -69.2 -57.8 -53.0 -63.7 -57.6 -52.7 -64.2 -56.5 -55.3 -67.9 -49.6 -59.6 -54.6
ILE_A13 -82.5 -56.3 0.0059 -63.0 -63.8 -68.3 -68.5 -61.8 -66.2 -70.0 -82.5 -61.3 -60.5 -58.8 -65.2 -77.1 -63.2 -60.9 -65.8 -64.8 -58.1 -70.5 -57.1 -56.3 -59.7
GLY_A14 -69.4 -49.4 0.0032 -57.5 -55.2 -61.1 -58.9 -60.7 -53.1 -57.2 -55.8 -53.5 -53.7 -50.1 -50.6 -56.6 -57.2 -59.3 -49.7 -53.0 -61.1 -49.4 -56.8 -52.6 -69.4
ILE_A15 -78.9 -38.7 0.0113 -66.0 -59.4 -65.5 -52.4 -53.7 -59.4 -67.6 -52.2 -53.9 -56.3 -52.6 -58.3 -38.7 -61.1 -78.9 -64.9 -57.6 -60.1 -58.8 -47.3 -45.9 -44.7
PHE_A16 -58.8 -28.7 0.0113 -40.6 -58.8 -44.6 -49.5 -32.1 -45.6 -43.1 -28.8 -44.4 -38.5 -43.1 -38.8 -31.1 -30.7 -29.1 -28.9 -29.9 -30.0 -32.4 -40.9 -53.4 -28.7
HIS_A17 -95.5 -70.1 0.0096 -90.8 -78.6 -79.6 -79.5 -91.1 -80.9 -70.4 -76.9 -75.2 -82.8 -75.0 -90.1 -95.5 -90.5 -90.7 -92.8 -79.4 -90.4 -88.9 -70.1 -72.2 -92.8
LYS_A18 -77.4 -51.9 0.0067 -66.1 -60.4 -71.1 -51.9 -53.2 -56.8 -77.4 -56.8 -54.0 -64.6 -64.0 -62.1 -67.6 -68.2 -59.1 -51.9 -67.9 -71.8 -62.7 -65.4 -61.9 -63.3
TYR_A19 -117.8 -56.8 0.0184 -80.4 -67.7 -76.5 -68.1 -73.4 -66.1 -68.9 -73.3 -74.7 -72.4 -87.7 -78.5 -68.8 -75.8 -66.4 -73.9 -117.8 -69.4 -75.7 -78.8 -74.1 -56.8
SER_A20 -161.4 174.8 0.6171 -151.6 -63.6 174.8 -74.4 138.9 -65.9 57.3 -87.3 -122.8 39.3 -59.5 -161.4 78.2 -102.6 -74.8 -75.2 -78.0 -129.1 -121.1 -75.6 56.0 152.5
GLY_A21 -138.2 148.7 0.8437 -115.6 127.9 134.7 -49.2 68.6 81.9 -138.2 -52.1 148.7 85.6 -62.2 -49.2 -55.2 85.6 75.6 71.1 74.9 79.0 -79.8 -56.2 -77.0 78.2
LYS_A22 -157.6 75.9 0.3943 -140.7 -82.1 -150.3 -59.2 54.1 -118.6 -72.6 -82.1 -71.6 75.9 -78.5 -151.6 -45.7 -151.6 -83.2 -110.0 -75.4 -117.4 -157.6 20.3 -123.9 -120.0
GLU_A23 -173.1 60.7 0.2848 -78.3 -123.8 -44.9 -89.5 -42.0 -98.3 -173.1 -76.3 -74.2 -81.8 -58.3 60.7 -67.2 -62.7 -58.1 -77.3 -172.8 -127.8 -123.5 -0.2 -77.1 -74.3
GLY_A24 -172.8 168.5 0.9561 76.7 -165.8 -54.7 78.2 -139.4 80.1 -62.7 139.7 -99.4 59.7 -42.6 -58.9 157.6 168.5 -30.3 -74.2 -79.2 -172.8 71.4 -70.5 91.8 52.0
ASP_A25 -91.7 78.2 0.4584 72.4 -82.5 -91.7 -50.4 58.3 -69.8 -60.4 -70.1 61.3 -68.2 -48.5 58.5 78.2 -79.1 -81.0 -77.5 -55.8 -69.4 48.2 -60.5 -32.8 35.3
LYS_A26 -146.9 -38.7 0.1284 -100.2 -82.9 -76.5 -60.6 -146.9 -72.5 -38.7 -138.3 -144.1 -145.3 -100.3 -77.5 -76.2 -81.8 -80.4 -87.8 -125.4 -68.6 -114.7 -120.7 -99.9 -67.1
HIS_A27 -167.1 179.1 0.2351 -71.9 -65.7 -142.9 -58.1 179.1 -80.1 -85.8 -72.2 -88.5 -51.7 -167.1 -145.8 -137.8 -52.0 -79.9 -91.6 -148.2 -153.9 -86.9 -133.8 -156.0 -74.6
THR_A28 -177.8 63.6 0.3364 -111.6 -97.1 -68.3 -153.7 -63.8 -78.5 -138.8 -101.4 -58.4 -134.6 -98.5 -115.6 -67.0 63.6 -177.8 -146.0 -132.1 -78.1 -68.6 56.7 -95.4 -153.6
LEU_A29 -140.7 -65.8 0.0834 -136.3 -71.6 -67.8 -103.8 -104.7 -138.1 -78.7 -112.1 -84.7 -107.4 -138.4 -94.5 -70.4 -109.6 -140.7 -93.4 -117.2 -83.4 -116.0 -65.8 -73.9 -98.0
SER_A30 -158.7 -50.6 0.0709 -62.7 -83.1 -69.6 -84.0 -113.0 -81.9 -95.3 -109.4 -102.2 -158.7 -68.4 -65.7 -76.7 -65.3 -92.9 -84.5 -50.6 -64.8 -70.6 -71.0 -77.6 -79.0
LYS_A31 -136.4 68.0 0.4833 -48.8 68.0 50.1 64.2 -55.5 61.9 -136.4 -56.6 -49.9 58.0 -43.2 -55.0 61.1 66.4 -62.3 66.8 16.5 55.6 -44.9 -54.4 42.5 63.0
LYS_A32 -75.2 -40.2 0.0103 -64.8 -62.2 -64.7 -58.1 -66.3 -40.2 -44.3 -62.5 -65.3 -58.1 -48.5 -75.2 -51.6 -68.6 -64.8 -51.6 -52.7 -57.0 -56.9 -67.0 -58.1 -55.1
GLU_A33 -90.6 -40.9 0.0179 -69.4 -56.1 -72.7 -51.5 -70.7 -56.2 -62.4 -60.6 -62.3 -60.5 -66.3 -55.9 -40.9 -90.6 -56.2 -50.6 -49.9 -52.7 -49.7 -48.5 -73.9 -50.3
LEU_A34 -82.0 -46.9 0.0107 -56.0 -62.9 -56.6 -59.7 -50.5 -82.0 -67.1 -50.7 -46.9 -60.8 -66.0 -54.6 -61.1 -50.7 -57.0 -71.1 -70.1 -59.6 -66.0 -47.1 -65.1 -64.4
LYS_A35 -72.5 -38.9 0.0102 -60.1 -62.8 -52.1 -66.3 -41.7 -57.8 -65.9 -72.5 -50.3 -61.8 -59.5 -68.0 -63.0 -38.9 -53.3 -50.8 -65.3 -50.3 -58.7 -62.5 -52.1 -55.9
GLU_A36 -90.6 -44.2 0.0175 -78.6 -79.3 -62.7 -90.6 -79.1 -44.2 -73.3 -77.5 -71.4 -56.0 -68.4 -74.8 -68.2 -64.3 -76.3 -66.3 -56.6 -65.9 -54.7 -64.5 -52.6 -57.2
LEU_A37 -91.0 -45.7 0.0229 -45.7 -52.4 -49.9 -49.4 -57.7 -65.6 -49.4 -54.7 -52.6 -89.0 -62.5 -47.2 -73.9 -91.0 -59.6 -55.6 -73.0 -62.1 -54.7 -48.5 -47.9 -59.0
ILE_A38 -66.0 -31.2 0.0135 -58.5 -62.7 -66.0 -55.4 -54.3 -42.9 -31.2 -44.4 -65.6 -54.9 -35.9 -60.4 -46.3 -61.5 -52.3 -60.2 -44.0 -53.4 -63.9 -59.2 -60.3 -46.3
GLN_A39 -94.4 -41.7 0.0336 -65.1 -63.3 -69.6 -58.8 -81.6 -61.3 -57.6 -55.1 -94.4 -68.1 -51.2 -61.2 -58.5 -65.7 -94.4 -91.9 -59.6 -90.6 -41.7 -63.3 -63.0 -92.4
LYS_A40 -97.6 -69.8 0.0087 -97.1 -92.9 -90.7 -91.5 -77.9 -77.0 -95.1 -93.2 -69.8 -91.7 -94.2 -93.0 -97.6 -92.5 -81.4 -92.4 -92.3 -78.5 -95.2 -92.0 -78.5 -90.5
GLU_A41 -92.0 -27.9 0.0512 -78.7 -89.8 -91.0 -60.7 -92.0 -84.0 -91.5 -50.3 -64.1 -86.5 -50.8 -44.1 -57.8 -58.0 -45.1 -75.4 -84.9 -27.9 -68.4 -46.5 -84.4 -64.5
LEU_A42 -106.0 -28.7 0.0568 -62.9 -77.8 -49.9 -79.7 -70.8 -92.3 -69.6 -69.4 -65.6 -28.7 -77.2 -68.4 -75.2 -53.6 -106.0 -99.7 -68.3 -98.4 -76.8 -62.1 -30.7 -96.4
THR_A43 -167.9 81.7 0.8175 69.1 -77.0 -53.3 72.0 -76.3 -59.9 50.5 63.6 72.5 -81.4 -73.8 60.7 81.7 63.2 -167.9 -56.4 -125.2 -157.4 38.7 62.2 -59.1 -161.6
ILE_A44 -173.0 68.6 0.3968 -72.1 -73.8 -97.4 68.6 -78.1 39.7 -80.2 -60.4 -83.9 -173.0 -50.1 -65.4 57.7 -52.0 -74.6 -121.4 -81.5 -79.9 -79.5 -63.4 43.1 -141.7
GLY_A45 -58.2 157.2 0.4812 -22.3 44.1 -46.5 49.3 46.7 48.2 53.4 -46.3 27.9 71.1 157.2 -49.4 -52.8 -44.3 68.6 150.3 67.3 -57.2 68.5 52.7 49.8 -58.2
SER_A46 -156.9 68.0 0.622 -62.3 42.8 68.0 -64.8 -129.5 60.8 -74.9 -59.2 -149.6 62.6 -150.9 57.0 -54.9 -57.0 -155.5 -74.1 -74.2 -156.2 -156.9 -151.5 -69.4 -65.4
LYS_A47 -153.0 172.3 0.7028 -84.4 -58.7 -58.7 -82.7 49.3 54.3 -153.0 -59.9 61.2 -74.6 52.3 -115.4 -72.1 -83.1 -150.0 43.9 172.3 62.8 41.1 -67.8 67.4 -75.1
LEU_A48 -94.2 77.5 0.5563 -94.2 58.7 53.2 -77.5 63.2 -60.7 42.3 65.5 -73.5 53.8 43.6 -74.9 51.2 -46.6 77.5 -45.5 -33.3 -67.0 61.2 -83.0 -79.0 73.5
GLN_A49 -178.7 72.7 0.9152 -135.2 -86.3 36.4 -178.7 57.7 -135.2 -165.5 -79.5 51.8 50.1 54.3 56.7 72.7 35.0 -65.0 -117.2 -138.0 -164.5 -140.0 -82.9 67.4 -147.2
ASP_A50 -152.2 103.3 0.7506 64.1 58.1 -91.7 55.6 -74.4 66.4 -139.9 -85.1 59.1 -150.5 48.3 -53.7 103.3 -52.0 -94.2 -92.9 -117.6 67.1 -47.4 -152.2 -80.1 -77.6
ALA_A51 -178.9 114.8 0.5202 61.8 98.4 -158.1 -77.4 -147.4 -170.7 -164.1 -178.9 -55.2 -131.7 -52.4 -165.7 -115.2 -52.5 -165.9 114.8 -136.6 -146.0 -171.2 -174.5 101.3 -57.4
GLU_A52 -90.8 16.2 0.0486 -44.3 -56.3 -49.1 -59.7 -46.4 -52.5 16.2 -47.9 -60.9 -63.1 -48.3 -76.5 -62.6 -52.1 -50.7 -50.9 -64.0 -42.2 -55.6 -64.3 -90.8 -49.6
ILE_A53 -91.3 -46.7 0.0183 -52.7 -49.9 -60.7 -52.4 -55.8 -49.3 -50.0 -61.0 -60.4 -58.0 -48.9 -46.7 -53.5 -62.1 -50.1 -82.2 -56.0 -51.7 -53.0 -75.3 -91.3 -52.3
VAL_A54 -81.4 -51.1 0.0092 -77.1 -80.0 -68.6 -73.9 -67.3 -63.8 -72.9 -70.2 -55.5 -65.4 -70.4 -70.1 -80.6 -70.0 -64.4 -54.2 -65.9 -67.0 -66.9 -51.1 -64.4 -81.4
LYS_A55 -69.1 -48.7 0.0048 -56.6 -60.7 -62.3 -55.4 -58.7 -69.1 -52.6 -65.3 -60.7 -62.0 -60.9 -66.0 -53.9 -48.7 -64.9 -57.6 -52.7 -62.4 -58.9 -68.0 -66.6 -51.0
LEU_A56 -91.9 -46.9 0.0214 -48.7 -52.8 -58.6 -61.7 -61.8 -83.7 -51.5 -55.1 -60.5 -59.6 -53.7 -57.5 -61.3 -46.9 -86.4 -54.2 -59.4 -65.1 -49.2 -91.9 -65.9 -47.2
MET_A57 -91.5 -52.8 0.0251 -71.3 -67.1 -58.6 -54.8 -58.7 -73.8 -86.5 -57.9 -61.1 -62.2 -90.4 -57.5 -91.1 -91.5 -65.2 -90.3 -78.1 -58.4 -58.0 -72.4 -63.7 -52.8
ASP_A58 -73.2 -29.2 0.0245 -73.0 -47.1 -53.9 -48.4 -53.7 -29.2 -48.9 -70.1 -49.2 -35.0 -60.5 -61.3 -73.2 -71.1 -43.1 -49.0 -66.6 -42.9 -71.2 -35.1 -57.3 -56.9
ASP_A59 -84.3 -39.3 0.0119 -67.0 -65.8 -66.1 -70.3 -56.0 -61.9 -61.8 -68.9 -50.5 -56.0 -57.9 -67.8 -70.2 -68.5 -39.3 -84.3 -59.3 -62.6 -70.3 -51.5 -63.5 -64.0
LEU_A60 -90.7 -26.9 0.039 -60.5 -65.2 -54.2 -56.7 -55.7 -51.1 -54.8 -56.3 -56.4 -90.7 -36.7 -55.4 -57.1 -37.4 -53.5 -90.6 -26.9 -84.4 -52.0 -41.8 -37.1 -72.6
ASP_A61 -65.2 -34.2 0.0105 -52.8 -48.3 -60.3 -48.2 -45.1 -65.0 -53.8 -52.8 -60.3 -54.6 -51.4 -46.7 -47.5 -37.7 -63.2 -40.2 -42.2 -49.4 -45.6 -52.9 -34.2 -65.2
ARG_A62 -90.8 -14.0 0.0421 -54.0 -60.3 -29.0 -55.3 -41.9 -73.8 -65.6 -53.5 -55.5 -65.2 -39.6 -68.8 -30.3 -40.9 -58.6 -53.2 -36.4 -53.4 -33.5 -90.8 -43.4 -14.0
ASN_A63 -89.0 -26.1 0.0366 -28.6 -27.3 -44.1 -27.7 -43.7 -89.0 -29.2 -28.0 -40.8 -29.5 -63.4 -55.4 -43.7 -62.8 -51.5 -32.8 -29.9 -30.0 -38.7 -26.1 -28.6 -53.8
LYS_A64 -152.5 67.5 0.3742 -150.2 -79.7 32.8 -116.9 -88.3 -78.4 -130.0 -150.8 -79.8 -72.9 -64.0 -152.5 -125.4 67.5 -74.6 43.3 -87.8 -67.0 -127.1 -93.4 -130.1 -46.1
ASP_A65 -115.6 75.5 0.4598 -71.9 42.1 -72.3 8.8 -105.7 -115.6 66.3 -68.5 -28.5 -55.0 19.0 75.5 57.7 53.7 -56.3 -23.4 6.8 68.2 40.9 61.1 28.3 -42.1
GLN_A66 -154.1 173.2 0.636 68.7 62.1 63.4 173.2 -154.1 -40.9 146.4 70.1 50.7 -58.0 59.1 74.2 77.7 66.2 -68.8 -99.9 53.1 67.6 74.4 -74.3 55.0 -80.5
GLU_A67 -164.3 65.2 0.4121 -80.6 -99.0 37.5 33.9 -164.3 -100.4 -77.8 -73.0 -144.6 -154.9 -59.7 -80.9 -79.1 -163.6 65.2 -159.9 -52.5 -107.8 -65.7 -80.3 -77.6 -49.3
VAL_A68 -162.8 -16.1 0.184 -54.5 -93.4 -75.0 -91.2 -160.5 -16.1 -140.0 -60.0 -46.2 -115.9 -122.9 -52.7 -94.9 -69.4 -73.5 -79.7 -162.8 -62.5 -122.2 -61.5 -84.9 -76.1
ASN_A69 -120.4 -68.5 0.0312 -95.1 -104.3 -106.9 -93.7 -97.3 -68.5 -78.7 -103.7 -102.2 -110.5 -105.1 -81.9 -98.9 -76.0 -101.2 -103.6 -83.1 -115.5 -106.2 -73.4 -120.4 -74.5
PHE_A70 -64.3 -44.8 0.0037 -59.0 -54.3 -56.5 -51.8 -53.5 -54.4 -58.6 -57.6 -63.1 -53.3 -57.6 -61.7 -52.4 -48.8 -59.1 -44.8 -47.8 -64.3 -50.0 -50.8 -54.0 -50.8
GLN_A71 -65.5 -42.0 0.0054 -51.5 -54.8 -56.6 -48.7 -47.4 -49.8 -53.6 -54.7 -47.0 -51.2 -51.8 -64.4 -55.2 -42.6 -65.5 -54.9 -47.7 -62.7 -55.7 -52.6 -56.4 -42.0
GLU_A72 -87.5 -52.6 0.0096 -62.9 -60.1 -55.0 -60.4 -77.2 -61.2 -56.9 -70.7 -55.7 -64.9 -56.7 -56.2 -66.3 -59.0 -52.6 -69.1 -71.3 -60.5 -57.8 -63.2 -64.3 -87.5
TYR_A73 -54.6 -36.5 0.003 -42.7 -47.0 -45.6 -51.4 -36.5 -41.5 -48.8 -46.2 -40.3 -45.6 -50.6 -47.2 -46.2 -46.5 -54.6 -38.3 -44.0 -38.6 -44.5 -41.5 -48.5 -49.0
ILE_A74 -82.6 -54.7 0.0089 -70.8 -73.8 -68.9 -78.3 -60.5 -79.1 -62.6 -66.6 -81.4 -82.6 -62.3 -57.7 -71.5 -76.9 -54.7 -66.4 -60.8 -72.9 -75.0 -64.0 -68.3 -64.8
THR_A75 -63.7 -33.2 0.0075 -59.9 -52.6 -63.5 -50.6 -49.2 -48.7 -51.0 -47.2 -56.4 -48.4 -54.2 -54.1 -60.8 -51.8 -33.2 -59.6 -55.4 -59.3 -63.7 -58.2 -49.8 -41.6
PHE_A76 -73.3 -50.2 0.0073 -69.0 -53.6 -52.1 -50.2 -73.2 -52.0 -58.2 -57.8 -64.7 -50.2 -56.0 -65.4 -59.5 -52.9 -63.9 -73.3 -64.3 -69.0 -58.2 -56.4 -60.6 -57.6
LEU_A77 -58.5 -37.6 0.0059 -58.5 -46.1 -49.4 -38.9 -37.6 -50.0 -56.1 -55.8 -47.0 -58.1 -38.8 -50.9 -49.9 -52.7 -57.1 -46.1 -52.9 -56.7 -56.3 -56.6 -46.6 -49.9
GLY_A78 -64.6 -40.2 0.0053 -59.3 -55.6 -48.4 -55.5 -51.6 -56.9 -63.5 -62.4 -56.5 -44.0 -53.2 -60.1 -56.1 -62.1 -53.3 -50.8 -52.9 -64.6 -40.2 -50.7 -57.6 -55.9
ALA_A79 -83.0 -46.7 0.007 -52.8 -58.4 -61.3 -60.4 -61.2 -56.8 -55.3 -55.8 -58.0 -83.0 -52.7 -46.7 -58.0 -53.1 -63.1 -51.6 -57.3 -52.6 -55.8 -61.3 -54.9 -51.6
LEU_A80 -90.8 -51.1 0.0184 -59.8 -70.1 -51.9 -53.9 -54.9 -53.3 -61.0 -61.1 -61.2 -78.8 -51.7 -57.0 -63.9 -58.8 -51.1 -63.4 -54.3 -64.1 -90.8 -89.8 -54.9 -70.0
ALA_A81 -73.2 -37.2 0.0098 -60.2 -57.7 -73.2 -51.7 -56.9 -56.6 -58.3 -56.0 -48.5 -61.9 -49.3 -54.2 -55.5 -48.4 -41.4 -49.3 -46.8 -48.3 -37.2 -44.8 -55.5 -38.4
MET_A82 -69.9 -34.2 0.0128 -53.0 -48.5 -49.7 -55.3 -44.8 -67.7 -57.0 -53.1 -34.2 -69.9 -62.1 -60.0 -55.7 -44.9 -55.9 -55.2 -67.4 -47.8 -67.2 -64.5 -56.9 -40.0
ILE_A83 -93.7 -68.4 0.0088 -88.6 -76.4 -68.4 -91.2 -80.9 -92.7 -90.3 -89.2 -75.5 -69.6 -93.7 -91.7 -83.9 -91.4 -93.7 -84.4 -91.1 -91.0 -91.3 -77.8 -90.8 -88.4
TYR_A84 -93.9 -56.7 0.0181 -61.9 -77.1 -71.6 -93.9 -73.1 -80.8 -56.7 -66.8 -69.7 -91.3 -77.5 -71.3 -56.9 -90.2 -81.4 -90.1 -77.2 -78.7 -78.3 -90.6 -62.7 -65.8
ASN_A85 -95.2 -20.1 0.056 -91.2 -91.1 -91.0 -78.4 -70.3 -93.0 -93.6 -91.6 -68.2 -95.2 -92.5 -91.2 -77.2 -91.5 -82.7 -72.1 -93.3 -92.1 -20.1 -28.1 -91.5 -91.4
GLU_A86 -165.9 178.6 0.5059 -40.4 -28.3 178.3 -19.7 178.6 -54.4 -16.3 -45.8 -164.8 176.0 -51.6 -47.8 -16.6 -140.1 -139.8 -165.9 -41.6 -158.2 -72.6 -49.8 -13.5 -109.0
ALA_A87 -179.2 178.1 0.8058 -156.5 178.1 53.2 -179.2 -78.0 -123.7 -28.8 150.2 45.8 48.6 165.1 144.5 -32.9 -80.5 -99.9 -80.3 148.7 -80.3 -172.9 -65.6 -32.3 47.6
LEU_A88 -157.8 71.5 0.5791 -149.1 -49.4 55.3 -50.6 59.5 -108.3 -41.5 -157.8 71.5 37.9 -153.9 -66.5 -32.1 34.3 39.7 50.5 -58.3 30.9 -47.6 -68.8 -31.1 29.3
LYS_A89 -158.2 172.0 0.7768 -114.2 -78.0 -76.4 -149.8 69.7 -80.8 -87.5 -104.7 50.1 172.0 -112.8 -100.5 -81.1 54.0 27.9 61.2 -103.9 63.4 65.0 -158.2 -64.1 64.2
GLY_A90 -158.6 176.0 0.8301 -62.1 -59.5 176.0 -87.1 67.8 -107.6 -66.6 60.9 93.0 -55.9 156.7 -58.3 57.7 55.5 120.9 16.5 49.8 53.1 -66.0 -48.1 108.3 -158.6
MET_B1 --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- --- ---
ALA_B2 -174.6 94.2 0.6675 59.1 -88.6 73.8 59.3 -83.8 -174.6 -163.6 -155.8 -70.7 -166.9 -73.3 94.2 49.4 -74.9 68.9 -150.2 -146.0 -156.7 -160.5 -167.4 -165.7 -101.1
SER_B3 -154.3 -48.3 0.0953 -84.3 -64.7 -93.7 -80.9 -70.8 -86.9 -76.6 -74.4 -49.3 -67.6 -66.5 -154.3 -106.4 -61.1 -152.5 -70.4 -67.2 -48.3 -94.4 -75.8 -75.4 -77.9
PRO_B4 -58.8 -25.4 0.0074 -25.4 -43.2 -51.4 -48.0 -43.0 -56.7 -58.8 -48.4 -40.1 -49.5 -52.6 -50.7 -41.7 -44.8 -49.6 -54.9 -50.8 -43.1 -47.5 -49.6 -46.5 -56.8
LEU_B5 -69.1 74.3 0.1557 -56.6 -56.5 -69.1 74.3 -67.4 -62.4 73.2 -63.8 -58.9 -63.6 -58.7 -55.8 -55.2 -64.3 -64.7 -61.0 -61.5 -59.8 -59.3 -65.9 -64.2 -67.5
ASP_B6 -78.4 -42.0 0.0174 -78.4 -74.6 -56.8 -52.0 -67.1 -48.1 -42.0 -59.5 -59.6 -46.7 -46.6 -67.3 -76.3 -67.4 -43.3 -55.5 -45.9 -49.2 -49.6 -52.7 -49.2 -60.4
GLN_B7 -66.7 -41.0 0.0063 -48.0 -50.3 -56.9 -44.3 -58.4 -66.7 -41.0 -66.6 -62.8 -52.5 -53.3 -54.9 -56.2 -52.1 -57.3 -65.3 -58.6 -61.2 -55.2 -58.9 -56.1 -53.6
ALA_B8 -66.8 -51.0 0.0023 -51.0 -54.4 -60.8 -64.4 -55.4 -56.1 -66.8 -58.0 -59.0 -59.3 -61.8 -60.2 -56.0 -53.1 -57.1 -64.9 -63.0 -57.2 -60.9 -55.0 -58.0 -56.5
ILE_B9 -70.4 -46.0 0.005 -68.3 -70.4 -58.4 -60.2 -54.5 -55.3 -52.9 -56.5 -51.6 -58.1 -46.0 -53.3 -66.8 -63.6 -59.6 -61.0 -57.9 -62.1 -51.4 -53.3 -55.7 -59.0
GLY_B10 -52.3 -38.7 0.0026 -41.7 -40.9 -52.3 -44.8 -47.7 -40.7 -48.0 -48.2 -51.1 -48.3 -40.4 -52.1 -38.7 -42.9 -51.9 -42.3 -47.3 -46.6 -47.7 -45.7 -49.0 -51.0
LEU_B11 -68.0 -53.0 0.0026 -61.2 -53.2 -63.3 -62.7 -62.6 -59.8 -58.0 -57.9 -56.8 -56.0 -62.5 -54.6 -53.0 -58.4 -63.3 -57.6 -62.4 -55.2 -55.8 -68.0 -63.0 -66.5
LEU_B12 -89.3 -54.1 0.0093 -63.9 -58.2 -63.6 -57.1 -57.6 -62.8 -56.9 -57.8 -56.1 -61.8 -61.7 -54.1 -64.8 -58.9 -54.8 -70.2 -56.5 -54.6 -73.3 -89.3 -58.0 -68.8
ILE_B13 -91.0 -52.2 0.0167 -57.3 -52.2 -90.5 -60.2 -63.8 -61.2 -66.6 -60.6 -68.4 -68.1 -61.3 -64.5 -67.1 -59.2 -60.9 -58.4 -64.4 -69.6 -77.5 -89.4 -61.7 -91.0
GLY_B14 -84.5 -41.1 0.0151 -55.2 -62.9 -67.2 -54.4 -41.1 -54.5 -55.5 -57.8 -67.0 -46.1 -45.3 -84.5 -45.5 -54.7 -62.0 -71.0 -58.0 -67.1 -44.1 -62.0 -53.4 -61.6
ILE_B15 -70.1 -42.3 0.0064 -56.8 -52.7 -61.7 -53.1 -60.5 -70.1 -64.9 -54.3 -61.4 -58.3 -60.7 -58.7 -68.2 -49.8 -64.7 -49.2 -55.3 -54.7 -54.1 -64.9 -57.3 -42.3
PHE_B16 -58.3 -28.9 0.0106 -43.3 -40.8 -28.9 -42.2 -51.7 -39.6 -43.0 -51.1 -29.9 -37.1 -38.5 -35.8 -39.1 -36.6 -33.0 -32.9 -56.3 -30.3 -29.8 -40.0 -58.3 -49.5
HIS_B17 -94.3 -70.5 0.0091 -85.3 -79.2 -76.2 -79.5 -93.5 -90.2 -74.5 -84.5 -92.1 -71.0 -90.7 -94.3 -90.6 -90.4 -92.0 -93.0 -73.3 -92.1 -84.3 -82.1 -70.5 -90.2
LYS_B18 -74.7 -48.3 0.0068 -59.2 -60.5 -67.6 -74.3 -61.8 -62.6 -69.1 -57.9 -55.1 -70.3 -74.7 -48.3 -59.1 -58.6 -64.8 -53.4 -60.7 -54.1 -53.0 -64.1 -57.4 -62.6
TYR_B19 -102.3 -55.3 0.0174 -76.6 -86.7 -74.9 -102.3 -65.5 -67.9 -77.7 -61.6 -55.3 -78.5 -83.2 -55.9 -79.9 -78.4 -73.7 -70.4 -82.0 -70.5 -60.3 -77.6 -83.5 -64.9
SER_B20 -175.7 121.8 0.5973 -143.0 -122.8 -175.7 -67.6 89.5 -58.9 -133.3 -169.9 -73.2 -129.7 -79.4 71.5 -47.9 -67.6 121.8 -78.3 91.9 -79.0 -79.5 -108.2 -138.0 52.6
GLY_B21 -156.6 144.4 0.6908 -58.8 137.7 76.2 104.4 75.0 -57.6 39.9 78.4 -44.3 77.8 78.7 53.3 71.1 144.4 77.9 -76.8 -71.5 78.5 -60.5 79.9 -88.9 -156.6
LYS_B22 -162.1 169.9 0.5573 -74.8 -42.0 -80.2 -56.5 -150.7 -53.4 40.1 169.9 -56.5 -87.1 72.5 -154.6 -31.0 87.4 -126.3 -138.3 -162.1 -94.2 -89.9 -80.1 -80.4 51.8
GLU_B23 -152.7 80.1 0.468 -112.0 -35.2 -59.1 -106.1 -62.3 -106.2 -56.9 -62.5 -73.9 -38.6 -152.2 -64.3 -41.0 -77.4 -50.0 -67.4 80.1 -98.1 74.7 68.9 -152.7 72.0
GLY_B24 -145.0 178.2 0.8302 80.8 131.4 -39.4 -56.5 62.1 178.2 72.1 31.7 153.2 99.3 162.0 -57.6 -145.0 -144.1 93.7 146.0 -63.9 -53.1 97.2 -53.6 57.0 25.1
ASP_B25 -163.8 68.6 0.337 -130.1 -120.6 -91.9 -163.8 -163.0 -38.6 -74.0 -128.5 -65.3 -81.0 -76.7 48.2 -27.7 -115.0 -53.2 -71.0 68.6 -90.0 -105.6 -83.2 -54.1 -111.4
LYS_B26 -174.5 -17.0 0.2064 -70.7 -139.1 -75.2 -100.7 -67.8 -72.9 -34.4 -131.4 -17.0 -44.9 -32.8 -102.4 -63.0 -142.7 -73.0 -72.6 -55.4 -69.0 -174.5 -65.6 -42.5 -109.9
HIS_B27 -173.5 179.3 0.2407 -106.0 -173.5 -53.6 179.3 -75.3 -160.0 -57.9 -93.0 -73.5 -76.9 -76.1 -120.8 -144.3 -133.3 -78.6 -77.8 -70.1 -77.7 -104.7 -161.3 179.3 -139.6
THR_B28 -163.6 159.6 0.2655 -43.7 -60.9 -74.4 -136.1 159.6 -39.0 -97.7 -105.9 -150.0 -163.6 -105.3 -44.7 -84.2 -136.4 -156.5 -155.3 -115.4 -137.3 -131.4 -52.4 -137.4 -83.9
LEU_B29 -127.2 -68.4 0.0478 -71.4 -68.4 -85.5 -73.4 -94.6 -70.7 -85.2 -98.3 -88.6 -111.4 -117.3 -70.5 -127.2 -101.0 -70.7 -98.5 -71.9 -113.9 -116.4 -80.2 -83.9 -103.2
SER_B30 -127.2 -51.8 0.0413 -85.0 -51.8 -82.3 -68.0 -89.2 -82.8 -80.7 -75.8 -62.7 -88.0 -86.7 -81.1 -84.0 -79.5 -127.2 -108.0 -65.2 -79.7 -80.6 -74.5 -85.0 -120.5
LYS_B31 -163.4 68.7 0.5044 64.8 53.2 -75.8 67.5 -45.2 60.3 56.5 42.9 -46.1 -59.7 -54.5 68.7 -60.8 65.8 -40.3 -163.4 -41.1 59.1 27.6 66.5 64.5 -52.4
LYS_B32 -163.3 92.0 0.1468 -52.0 -58.1 -163.3 -62.7 -60.5 -55.3 -54.0 -43.9 -68.8 92.0 -56.5 -55.1 -53.1 -55.9 -53.7 -55.8 -58.3 -60.2 -50.5 -56.3 -67.6 -64.4
GLU_B33 -93.8 -38.6 0.027 -52.8 -60.4 -56.2 -47.6 -53.8 -53.5 -66.6 -43.5 -93.8 -66.6 -68.1 -44.8 -75.3 -38.6 -61.2 -68.6 -69.7 -57.9 -66.3 -61.9 -53.6 -91.0
LEU_B34 -68.3 -51.7 0.0035 -67.4 -65.0 -56.9 -64.4 -52.2 -60.3 -61.6 -62.8 -67.2 -61.9 -54.4 -56.6 -58.6 -62.3 -57.1 -59.9 -62.2 -55.2 -56.9 -66.9 -68.3 -51.7
LYS_B35 -68.0 -41.2 0.0101 -67.4 -51.2 -50.3 -66.6 -51.2 -56.4 -43.1 -61.9 -41.4 -52.8 -53.9 -62.9 -51.6 -65.7 -58.7 -46.6 -52.9 -50.8 -68.0 -63.0 -60.8 -41.2
GLU_B36 -82.6 -43.0 0.0185 -74.0 -55.6 -82.5 -50.5 -67.4 -57.4 -68.9 -82.6 -43.0 -77.9 -76.0 -60.1 -54.1 -63.9 -81.0 -74.2 -71.4 -73.5 -76.1 -65.1 -54.2 -77.7
LEU_B37 -90.9 -41.9 0.0214 -68.4 -54.8 -42.1 -67.4 -90.9 -51.6 -71.4 -44.6 -72.4 -53.7 -55.1 -54.0 -47.4 -61.3 -41.9 -67.8 -66.9 -57.7 -47.1 -47.9 -55.6 -45.7
ILE_B38 -72.7 -33.4 0.0103 -53.7 -70.8 -61.2 -56.5 -53.6 -66.1 -56.1 -56.6 -72.7 -60.9 -67.0 -64.0 -68.4 -58.5 -59.9 -61.2 -54.9 -57.8 -59.4 -53.0 -33.4 -71.9
GLN_B39 -93.7 -45.9 0.0306 -74.3 -56.6 -84.5 -68.9 -54.2 -53.5 -55.8 -71.8 -50.1 -72.5 -61.8 -67.8 -46.2 -93.7 -78.5 -49.2 -66.1 -92.8 -65.0 -64.4 -45.9 -88.1
LYS_B40 -97.3 -73.6 0.004 -93.2 -92.3 -93.1 -92.8 -81.3 -92.7 -93.8 -90.4 -94.2 -93.6 -90.8 -94.3 -97.3 -91.5 -89.6 -73.6 -93.3 -91.1 -90.9 -90.8 -94.5 -82.2
GLU_B41 -95.0 -30.5 0.0543 -86.7 -45.7 -55.6 -78.1 -68.3 -38.1 -63.1 -59.1 -30.5 -54.2 -95.0 -47.9 -91.9 -73.7 -53.5 -92.5 -90.7 -69.8 -47.4 -92.6 -65.7 -51.6
LEU_B42 -103.0 -27.8 0.0717 -29.0 -74.6 -65.1 -29.2 -69.3 -65.0 -59.7 -70.4 -89.5 -63.1 -41.2 -54.5 -79.4 -103.0 -66.9 -82.6 -27.8 -101.3 -69.9 -29.2 -90.7 -64.2
THR_B43 -159.2 152.7 0.8623 -81.4 -159.2 69.5 -151.5 -54.6 80.9 -68.8 92.1 -133.3 73.2 -25.8 77.8 -76.5 152.7 22.5 -65.6 -92.4 -52.6 89.2 -75.5 78.8 46.0
ILE_B44 -146.9 89.9 0.6078 -86.6 69.6 -59.5 -140.2 74.5 -146.9 -89.2 -58.9 79.0 38.5 -106.3 28.0 -94.5 -50.3 89.9 -42.2 25.4 -76.7 -58.9 38.3 -53.1 -71.2
GLY_B45 -117.9 86.2 0.5574 61.5 73.4 -54.5 34.5 69.8 62.4 -54.0 -58.1 -47.8 -76.6 -26.5 -117.9 86.2 -34.2 -60.9 68.3 51.4 -76.9 75.9 56.1 57.5 -69.4
SER_B46 -166.4 136.9 0.7139 -70.8 -45.1 -72.6 -100.7 -166.4 -47.6 51.6 -52.6 46.5 -68.8 -28.6 75.7 73.4 -49.1 136.9 -76.6 98.7 47.6 -166.4 43.7 52.1 -75.7
LYS_B47 -172.6 75.0 0.7291 -155.0 -59.9 -58.7 -62.4 53.2 -75.9 -133.8 -68.2 -134.9 -78.0 -160.8 -74.7 -39.2 -41.5 33.0 -172.6 35.1 57.9 75.0 -147.5 64.9 55.7
LEU_B48 -129.3 76.7 0.5989 65.9 62.0 69.5 63.9 -129.3 -51.7 76.7 75.8 60.4 -48.9 -19.9 -110.6 -119.3 55.9 67.6 58.2 -69.8 -60.9 58.5 -69.6 59.2 50.7
GLN_B49 -163.8 82.5 0.8355 68.9 -36.6 53.5 -82.6 -77.4 -77.7 -162.1 42.0 74.2 71.1 -83.8 -84.1 53.9 45.8 -163.2 74.2 65.0 -82.7 68.4 82.5 -102.2 -163.8
ASP_B50 -137.1 61.7 0.3174 -53.2 -61.3 -108.6 -87.5 -64.6 -72.4 -137.1 -60.8 50.6 -40.6 -75.6 61.7 54.4 -128.4 -79.3 -78.0 -70.7 -123.8 -100.0 -106.5 -74.9 -80.6
ALA_B51 -167.9 176.6 0.3972 -76.6 120.2 158.8 97.2 28.2 -92.9 -130.7 -141.7 -156.3 -135.7 -167.7 176.6 -162.3 -146.0 -48.4 -96.9 -73.1 -147.5 -138.0 -166.3 -128.0 -167.9
GLU_B52 -80.5 -39.6 0.0138 -49.5 -64.1 -54.1 -52.7 -39.6 -47.5 -55.8 -62.4 -62.4 -56.8 -48.5 -49.1 -48.1 -58.6 -39.9 -58.6 -43.9 -45.1 -49.5 -65.4 -80.5 -65.0
ILE_B53 -90.5 -22.5 0.0195 -63.1 -55.2 -67.2 -47.4 -90.5 -56.8 -60.2 -49.4 -63.0 -55.6 -57.1 -56.0 -56.7 -59.9 -65.7 -53.2 -55.9 -68.0 -54.3 -59.0 -22.5 -53.7
VAL_B54 -90.4 -43.5 0.0165 -74.0 -67.1 -68.2 -86.4 -43.5 -77.2 -52.8 -71.8 -66.0 -63.9 -69.2 -69.5 -68.9 -77.6 -60.3 -82.1 -71.3 -54.8 -71.3 -76.9 -90.4 -71.5
LYS_B55 -89.8 -48.9 0.01 -56.5 -56.7 -48.9 -58.3 -67.5 -57.6 -60.5 -56.7 -57.4 -55.0 -56.4 -59.1 -50.8 -55.1 -89.8 -51.8 -65.2 -58.1 -51.9 -55.2 -59.5 -66.8
LEU_B56 -92.3 -43.4 0.0235 -57.2 -46.0 -55.5 -52.3 -72.8 -60.5 -92.3 -57.9 -59.0 -56.9 -56.9 -61.9 -51.3 -47.7 -91.3 -46.1 -57.1 -56.8 -64.8 -43.4 -71.5 -50.5
MET_B57 -90.0 -50.2 0.0252 -73.2 -84.1 -56.4 -76.2 -58.2 -56.5 -65.2 -59.7 -56.1 -58.1 -64.9 -52.3 -77.3 -81.5 -50.2 -90.0 -57.8 -63.9 -87.4 -87.0 -55.2 -84.8
ASP_B58 -90.4 -29.7 0.036 -65.7 -58.3 -73.9 -57.2 -49.6 -32.0 -29.7 -66.4 -62.2 -84.1 -65.7 -69.1 -56.7 -46.6 -36.3 -60.9 -90.4 -40.7 -70.6 -70.7 -74.6 -62.2
ASP_B59 -91.9 -29.5 0.0255 -60.1 -65.8 -64.2 -65.9 -76.0 -35.8 -91.9 -63.7 -69.7 -68.2 -66.5 -62.3 -49.6 -45.4 -29.5 -72.4 -58.8 -56.0 -66.6 -68.6 -61.7 -72.9
LEU_B60 -93.1 -11.4 0.0422 -28.1 -47.3 -41.5 -56.8 -66.8 -62.0 -80.4 -48.7 -60.2 -47.4 -53.7 -41.4 -43.0 -93.1 -53.2 -64.8 -32.2 -60.0 -47.4 -64.2 -11.4 -54.3
ASP_B61 -85.6 -36.5 0.0177 -44.3 -36.7 -44.4 -52.5 -52.3 -50.4 -72.9 -47.2 -61.3 -36.5 -41.7 -49.4 -45.8 -47.0 -53.1 -46.3 -42.2 -85.6 -46.8 -52.8 -55.3 -45.6
ARG_B62 -90.8 -25.2 0.0362 -38.7 -42.2 -47.9 -47.5 -78.0 -90.8 -62.5 -54.9 -25.2 -63.6 -51.7 -40.0 -63.6 -75.1 -53.9 -77.6 -41.8 -71.9 -62.3 -48.5 -64.3 -43.3
ASN_B63 -90.9 -24.7 0.0477 -41.4 -43.9 -31.8 -47.9 -86.5 -24.7 -56.3 -29.0 -47.7 -51.3 -25.6 -48.2 -28.5 -53.6 -61.5 -49.5 -90.9 -31.3 -63.0 -27.8 -59.5 -30.0
LYS_B64 -150.3 178.9 0.8701 -146.6 -125.8 107.0 -119.1 65.8 63.7 -99.9 -150.3 -60.3 60.6 178.9 -138.6 -120.2 70.4 -78.1 61.8 -79.8 39.6 73.7 -134.7 -143.1 65.1
ASP_B65 -159.5 174.2 0.6316 17.0 46.6 -78.3 28.9 60.5 174.2 60.1 -114.7 -26.6 -78.1 -71.6 19.4 25.7 -90.5 49.7 -67.6 67.6 -72.0 -78.5 -159.5 53.9 -59.5
GLN_B66 -178.1 125.0 0.8866 61.3 56.3 -156.4 57.9 -178.1 33.0 -85.3 43.7 -48.6 -174.2 75.7 49.5 -149.4 -147.5 73.8 -138.8 125.0 -56.4 -66.5 61.6 49.7 -129.2
GLU_B67 -169.3 62.1 0.3539 -87.4 -148.3 -121.1 -127.9 -74.3 -91.1 43.5 -107.5 -169.3 -110.7 -73.7 -83.4 28.6 -55.6 -147.6 -72.8 -103.1 -61.2 62.1 -86.8 -90.0 -69.6
VAL_B68 -156.7 -59.7 0.1025 -79.3 -78.4 -63.0 -91.2 -128.9 -98.2 -156.7 -67.3 -86.0 -97.1 -107.8 -74.1 -70.2 -75.9 -59.7 -69.3 -124.2 -69.8 -59.8 -66.7 -77.1 -140.0
ASN_B69 -148.4 -67.5 0.0513 -78.0 -105.2 -100.3 -85.8 -94.0 -82.9 -148.4 -88.3 -86.1 -107.1 -101.9 -99.9 -92.2 -83.9 -105.0 -99.9 -109.7 -148.2 -88.3 -98.8 -67.5 -89.5
PHE_B70 -76.7 -47.7 0.0055 -55.4 -48.4 -55.1 -52.8 -57.1 -56.8 -54.7 -63.8 -55.4 -48.8 -53.7 -52.8 -54.2 -53.0 -60.7 -61.0 -76.7 -56.5 -47.7 -50.5 -58.8 -55.3
GLN_B71 -64.6 -40.9 0.0038 -51.1 -60.8 -55.6 -54.9 -52.6 -50.6 -56.4 -60.3 -58.2 -52.0 -53.9 -40.9 -59.1 -64.6 -52.5 -54.5 -55.1 -56.3 -44.7 -54.7 -52.2 -56.9
GLU_B72 -80.5 -51.0 0.009 -59.8 -65.7 -56.4 -68.6 -54.9 -63.7 -64.0 -57.3 -56.9 -56.0 -80.5 -76.6 -61.4 -77.9 -51.0 -63.9 -61.3 -70.5 -68.3 -60.3 -57.4 -56.7
TYR_B73 -60.9 -39.3 0.0035 -50.0 -41.0 -47.2 -49.7 -43.6 -49.2 -51.6 -44.7 -45.9 -48.6 -60.9 -47.2 -39.3 -49.3 -43.8 -44.7 -42.4 -57.5 -47.0 -47.9 -48.5 -44.4
ILE_B74 -81.4 -54.5 0.0068 -61.1 -65.0 -55.1 -61.6 -70.0 -64.4 -81.4 -67.9 -76.0 -62.5 -67.5 -68.0 -75.1 -54.5 -63.5 -77.7 -70.5 -68.1 -71.3 -64.4 -67.7 -59.2
THR_B75 -66.6 -30.8 0.0107 -56.3 -45.3 -30.8 -49.8 -63.7 -43.8 -49.3 -54.2 -55.1 -62.1 -38.7 -47.6 -55.5 -45.7 -59.1 -59.6 -56.8 -49.0 -66.6 -51.9 -57.0 -61.4
PHE_B76 -77.5 -48.9 0.0082 -69.8 -56.5 -72.1 -56.8 -58.2 -58.5 -52.4 -62.7 -55.6 -65.4 -77.5 -59.5 -63.8 -64.8 -66.5 -52.5 -64.8 -62.1 -48.9 -72.1 -53.5 -70.8
LEU_B77 -59.0 -42.5 0.0032 -50.1 -56.0 -51.3 -54.5 -59.0 -58.0 -45.3 -48.1 -48.0 -51.8 -58.3 -50.0 -43.2 -55.1 -48.6 -42.5 -47.1 -51.1 -55.0 -54.8 -51.4 -55.6
GLY_B78 -69.6 -34.3 0.0068 -54.3 -58.6 -57.8 -34.3 -56.9 -59.3 -55.0 -53.7 -50.8 -69.6 -54.9 -62.8 -55.0 -49.2 -49.2 -58.2 -53.5 -61.2 -58.8 -48.1 -48.4 -55.0
ALA_B79 -68.5 -41.7 0.0045 -49.8 -53.7 -50.8 -56.2 -63.1 -53.8 -61.3 -58.7 -55.7 -55.4 -61.0 -57.0 -57.6 -61.3 -68.5 -57.8 -57.4 -63.4 -56.3 -41.7 -59.0 -51.9
LEU_B80 -90.1 -49.7 0.0175 -61.9 -64.3 -81.3 -82.8 -57.5 -65.3 -54.9 -60.6 -66.8 -59.5 -52.7 -63.1 -73.4 -76.1 -55.6 -49.7 -61.8 -52.0 -52.1 -90.1 -52.7 -63.9
ALA_B81 -68.5 -31.1 0.0094 -58.3 -53.1 -56.2 -49.7 -59.9 -58.8 -55.8 -47.5 -48.4 -46.0 -62.0 -54.9 -31.1 -53.9 -68.5 -61.5 -61.0 -48.8 -54.6 -53.8 -68.1 -51.7
MET_B82 -90.9 -39.3 0.0207 -54.0 -55.4 -39.3 -66.6 -50.8 -53.0 -52.5 -49.2 -45.2 -42.9 -50.9 -61.8 -72.3 -51.9 -90.9 -44.1 -51.4 -65.7 -48.3 -58.9 -74.6 -50.6
ILE_B83 -93.1 -57.8 0.0184 -90.9 -89.1 -89.7 -84.3 -58.3 -90.7 -90.8 -90.5 -90.3 -77.6 -67.5 -91.3 -82.1 -91.0 -93.1 -65.6 -74.8 -92.5 -78.4 -79.7 -73.0 -57.8
TYR_B84 -90.8 -57.4 0.0132 -61.7 -83.5 -60.9 -90.2 -81.6 -65.0 -65.8 -74.9 -74.8 -64.4 -68.7 -63.4 -79.4 -81.4 -69.7 -61.3 -57.4 -90.8 -69.6 -75.7 -74.2 -77.5
ASN_B85 -93.7 -16.8 0.0587 -91.4 -90.8 -60.3 -87.0 -85.3 -92.9 -91.1 -93.7 -64.4 -68.6 -91.3 -93.7 -41.6 -86.4 -91.7 -64.4 -75.7 -88.8 -93.4 -16.8 -50.8 -90.7
GLU_B86 -177.6 179.8 0.4303 -45.7 -46.1 -177.6 -45.9 175.6 -45.4 -14.8 -54.7 -154.9 -157.8 -57.3 -34.9 -73.6 179.8 -128.1 -160.5 -17.9 -84.6 -18.2 -62.2 -72.9 -129.7
ALA_B87 -159.8 152.0 0.7391 -159.8 120.8 49.0 -40.1 -37.0 152.0 -38.6 150.2 46.6 49.2 -118.7 -51.3 -59.4 -81.7 47.2 46.8 -41.2 55.5 -43.4 136.4 -62.6 49.1
LEU_B88 -133.2 73.7 0.4884 -127.5 -133.2 51.9 -39.4 -51.3 -49.1 -55.0 -53.9 73.7 49.1 -90.7 -51.7 -52.5 30.8 50.1 41.7 -59.8 56.3 -39.1 -69.9 -58.2 64.0
LYS_B89 -172.4 73.2 0.7226 -90.9 -109.5 -96.9 -152.7 -172.4 -150.1 -56.9 59.3 73.2 43.0 -153.2 -76.2 -128.9 -98.4 46.3 63.0 -87.6 52.2 -127.3 -117.3 -87.9 60.2
GLY_B90 -167.2 169.0 0.7094 -68.9 -69.9 59.8 -137.5 -167.2 -98.5 54.7 152.9 88.8 60.5 72.9 153.3 65.6 168.8 60.9 69.4 -58.8 50.4 62.7 -166.0 169.0 83.8
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