NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | position | program | type |
|
|
625893 |
5vfk   |
cing | 1-original | 1 | XPLOR/CNS | dihedral angle |
# Restraints file 1: talos.tbl
! 11 K -66.726 -34.026 5.087 5.729 0.381 0.673 25 18 Strong
assign (resid 10 and name C ) (resid 11 and name N )
(resid 11 and name CA ) (resid 11 and name C ) 1.0 -66.7 20.0 2
assign (resid 11 and name N ) (resid 11 and name CA )
(resid 11 and name C ) (resid 12 and name N ) 1.0 -34.0 20.0 2
! 12 D -69.341 -31.946 4.650 7.877 0.323 0.759 25 18 Strong
assign (resid 11 and name C ) (resid 12 and name N )
(resid 12 and name CA ) (resid 12 and name C ) 1.0 -69.3 20.0 2
assign (resid 12 and name N ) (resid 12 and name CA )
(resid 12 and name C ) (resid 13 and name N ) 1.0 -31.9 20.0 2
! 13 I -67.195 -32.716 4.963 9.031 0.280 0.765 25 18 Strong
assign (resid 12 and name C ) (resid 13 and name N )
(resid 13 and name CA ) (resid 13 and name C ) 1.0 -67.2 20.0 2
assign (resid 13 and name N ) (resid 13 and name CA )
(resid 13 and name C ) (resid 14 and name N ) 1.0 -32.7 20.0 2
! 14 F -100.503 5.680 13.116 11.621 0.253 0.766 25 18 Strong
assign (resid 13 and name C ) (resid 14 and name N )
(resid 14 and name CA ) (resid 14 and name C ) 1.0 -100.5 26.2 2
assign (resid 14 and name N ) (resid 14 and name CA )
(resid 14 and name C ) (resid 15 and name N ) 1.0 5.7 23.2 2
! 15 S -70.871 -21.547 9.152 8.235 0.293 0.746 25 18 Strong
assign (resid 14 and name C ) (resid 15 and name N )
(resid 15 and name CA ) (resid 15 and name C ) 1.0 -70.9 20.0 2
assign (resid 15 and name N ) (resid 15 and name CA )
(resid 15 and name C ) (resid 16 and name N ) 1.0 -21.5 20.0 2
! 16 S -101.580 2.360 9.155 8.931 0.334 0.752 10 18 Generous
assign (resid 15 and name C ) (resid 16 and name N )
(resid 16 and name CA ) (resid 16 and name C ) 1.0 -101.6 30.0 2
assign (resid 16 and name N ) (resid 16 and name CA )
(resid 16 and name C ) (resid 17 and name N ) 1.0 2.4 30.0 2
! 17 S -71.102 138.146 9.681 13.740 0.490 0.741 25 16 Strong
assign (resid 16 and name C ) (resid 17 and name N )
(resid 17 and name CA ) (resid 17 and name C ) 1.0 -71.1 20.0 2
assign (resid 17 and name N ) (resid 17 and name CA )
(resid 17 and name C ) (resid 18 and name N ) 1.0 138.1 27.5 2
! 18 P -62.263 142.903 6.301 7.938 0.437 0.774 25 16 Strong
assign (resid 17 and name C ) (resid 18 and name N )
(resid 18 and name CA ) (resid 18 and name C ) 1.0 -62.3 20.0 2
assign (resid 18 and name N ) (resid 18 and name CA )
(resid 18 and name C ) (resid 19 and name N ) 1.0 142.9 20.0 2
! 19 A -98.321 -21.672 17.300 18.444 0.519 0.808 10 16 Generous
assign (resid 18 and name C ) (resid 19 and name N )
(resid 19 and name CA ) (resid 19 and name C ) 1.0 -98.3 51.9 2
assign (resid 19 and name N ) (resid 19 and name CA )
(resid 19 and name C ) (resid 20 and name N ) 1.0 -21.7 55.3 2
! 20 E -156.081 162.060 9.130 9.612 0.456 0.873 25 18 Strong
assign (resid 19 and name C ) (resid 20 and name N )
(resid 20 and name CA ) (resid 20 and name C ) 1.0 -156.1 20.0 2
assign (resid 20 and name N ) (resid 20 and name CA )
(resid 20 and name C ) (resid 21 and name N ) 1.0 162.1 20.0 2
! 21 Y -124.529 147.225 13.658 12.625 0.669 0.903 25 18 Strong
assign (resid 20 and name C ) (resid 21 and name N )
(resid 21 and name CA ) (resid 21 and name C ) 1.0 -124.5 27.3 2
assign (resid 21 and name N ) (resid 21 and name CA )
(resid 21 and name C ) (resid 22 and name N ) 1.0 147.2 25.2 2
! 22 V -131.710 156.184 12.607 11.345 0.367 0.926 25 18 Strong
assign (resid 21 and name C ) (resid 22 and name N )
(resid 22 and name CA ) (resid 22 and name C ) 1.0 -131.7 25.2 2
assign (resid 22 and name N ) (resid 22 and name CA )
(resid 22 and name C ) (resid 23 and name N ) 1.0 156.2 22.7 2
! 23 T -81.802 162.586 7.812 6.419 0.239 0.927 25 18 Strong
assign (resid 22 and name C ) (resid 23 and name N )
(resid 23 and name CA ) (resid 23 and name C ) 1.0 -81.8 20.0 2
assign (resid 23 and name N ) (resid 23 and name CA )
(resid 23 and name C ) (resid 24 and name N ) 1.0 162.6 20.0 2
! 24 I -59.343 -39.775 4.821 4.674 0.194 0.929 25 18 Strong
assign (resid 23 and name C ) (resid 24 and name N )
(resid 24 and name CA ) (resid 24 and name C ) 1.0 -59.3 20.0 2
assign (resid 24 and name N ) (resid 24 and name CA )
(resid 24 and name C ) (resid 25 and name N ) 1.0 -39.8 20.0 2
! 25 K -64.297 -41.450 4.508 4.148 0.130 0.919 25 18 Strong
assign (resid 24 and name C ) (resid 25 and name N )
(resid 25 and name CA ) (resid 25 and name C ) 1.0 -64.3 20.0 2
assign (resid 25 and name N ) (resid 25 and name CA )
(resid 25 and name C ) (resid 26 and name N ) 1.0 -41.5 20.0 2
! 26 D -66.091 -38.758 4.000 4.718 0.111 0.910 25 18 Strong
assign (resid 25 and name C ) (resid 26 and name N )
(resid 26 and name CA ) (resid 26 and name C ) 1.0 -66.1 20.0 2
assign (resid 26 and name N ) (resid 26 and name CA )
(resid 26 and name C ) (resid 27 and name N ) 1.0 -38.8 20.0 2
! 27 A -63.633 -41.897 2.209 4.986 0.078 0.872 25 18 Strong
assign (resid 26 and name C ) (resid 27 and name N )
(resid 27 and name CA ) (resid 27 and name C ) 1.0 -63.6 20.0 2
assign (resid 27 and name N ) (resid 27 and name CA )
(resid 27 and name C ) (resid 28 and name N ) 1.0 -41.9 20.0 2
! 28 L -66.466 -27.666 4.303 6.565 0.112 0.815 25 18 Strong
assign (resid 27 and name C ) (resid 28 and name N )
(resid 28 and name CA ) (resid 28 and name C ) 1.0 -66.5 20.0 2
assign (resid 28 and name N ) (resid 28 and name CA )
(resid 28 and name C ) (resid 29 and name N ) 1.0 -27.7 20.0 2
! 29 D -85.359 1.131 6.150 5.865 0.140 0.776 25 17 Strong
assign (resid 28 and name C ) (resid 29 and name N )
(resid 29 and name CA ) (resid 29 and name C ) 1.0 -85.4 20.0 2
assign (resid 29 and name N ) (resid 29 and name CA )
(resid 29 and name C ) (resid 30 and name N ) 1.0 1.1 20.0 2
! 30 G 85.317 10.481 7.528 6.918 0.208 0.768 25 17 Strong
assign (resid 29 and name C ) (resid 30 and name N )
(resid 30 and name CA ) (resid 30 and name C ) 1.0 85.3 20.0 2
assign (resid 30 and name N ) (resid 30 and name CA )
(resid 30 and name C ) (resid 31 and name N ) 1.0 10.5 20.0 2
! 31 K -72.751 125.456 7.124 23.387 0.347 0.810 25 17 Strong
assign (resid 30 and name C ) (resid 31 and name N )
(resid 31 and name CA ) (resid 31 and name C ) 1.0 -72.8 20.0 2
assign (resid 31 and name N ) (resid 31 and name CA )
(resid 31 and name C ) (resid 32 and name N ) 1.0 125.5 46.8 2
! 32 L -94.950 132.542 14.135 8.106 0.445 0.852 25 18 Strong
assign (resid 31 and name C ) (resid 32 and name N )
(resid 32 and name CA ) (resid 32 and name C ) 1.0 -95.0 28.3 2
!assign (resid 32 and name N ) (resid 32 and name CA )
! (resid 32 and name C ) (resid 33 and name N ) 1.0 132.5 20.0 2
! 33 K -124.395 143.387 17.217 13.560 0.530 0.889 25 18 Strong
assign (resid 32 and name C ) (resid 33 and name N )
(resid 33 and name CA ) (resid 33 and name C ) 1.0 -124.4 34.4 2
assign (resid 33 and name N ) (resid 33 and name CA )
(resid 33 and name C ) (resid 34 and name N ) 1.0 143.4 27.1 2
! 34 I -120.475 134.037 13.604 14.426 0.478 0.887 25 18 Strong
assign (resid 33 and name C ) (resid 34 and name N )
(resid 34 and name CA ) (resid 34 and name C ) 1.0 -120.5 27.2 2
assign (resid 34 and name N ) (resid 34 and name CA )
(resid 34 and name C ) (resid 35 and name N ) 1.0 134.0 28.9 2
! 35 R -75.560 130.482 8.449 10.661 0.371 0.863 25 18 Strong
assign (resid 34 and name C ) (resid 35 and name N )
(resid 35 and name CA ) (resid 35 and name C ) 1.0 -75.6 20.0 2
assign (resid 35 and name N ) (resid 35 and name CA )
(resid 35 and name C ) (resid 36 and name N ) 1.0 130.5 21.3 2
! 36 L -91.139 155.815 11.480 12.852 0.394 0.829 25 18 Strong
assign (resid 35 and name C ) (resid 36 and name N )
(resid 36 and name CA ) (resid 36 and name C ) 1.0 -91.1 23.0 2
assign (resid 36 and name N ) (resid 36 and name CA )
(resid 36 and name C ) (resid 37 and name N ) 1.0 155.8 25.7 2
! 37 N -64.442 -21.080 4.730 8.902 0.268 0.817 25 18 Strong
assign (resid 36 and name C ) (resid 37 and name N )
(resid 37 and name CA ) (resid 37 and name C ) 1.0 -64.4 20.0 2
assign (resid 37 and name N ) (resid 37 and name CA )
(resid 37 and name C ) (resid 38 and name N ) 1.0 -21.1 20.0 2
! 38 N -89.113 11.258 9.325 6.641 0.237 0.818 25 18 Strong
assign (resid 37 and name C ) (resid 38 and name N )
(resid 38 and name CA ) (resid 38 and name C ) 1.0 -89.1 20.0 2
assign (resid 38 and name N ) (resid 38 and name CA )
(resid 38 and name C ) (resid 39 and name N ) 1.0 11.3 20.0 2
! 39 N 70.543 18.013 7.489 12.281 0.194 0.844 25 18 Strong
assign (resid 38 and name C ) (resid 39 and name N )
(resid 39 and name CA ) (resid 39 and name C ) 1.0 70.5 20.0 2
assign (resid 39 and name N ) (resid 39 and name CA )
(resid 39 and name C ) (resid 40 and name N ) 1.0 18.0 24.6 2
! 40 F -94.702 140.940 11.549 12.415 0.254 0.846 25 18 Strong
assign (resid 39 and name C ) (resid 40 and name N )
(resid 40 and name CA ) (resid 40 and name C ) 1.0 -94.7 23.1 2
assign (resid 40 and name N ) (resid 40 and name CA )
(resid 40 and name C ) (resid 41 and name N ) 1.0 140.9 24.8 2
! 41 Y -102.788 140.179 17.453 9.294 0.349 0.853 25 18 Strong
assign (resid 40 and name C ) (resid 41 and name N )
(resid 41 and name CA ) (resid 41 and name C ) 1.0 -102.8 34.9 2
assign (resid 41 and name N ) (resid 41 and name CA )
(resid 41 and name C ) (resid 42 and name N ) 1.0 140.2 20.0 2
! 42 H -119.382 128.058 11.262 10.098 0.325 0.835 25 18 Strong
assign (resid 41 and name C ) (resid 42 and name N )
(resid 42 and name CA ) (resid 42 and name C ) 1.0 -119.4 22.5 2
assign (resid 42 and name N ) (resid 42 and name CA )
(resid 42 and name C ) (resid 43 and name N ) 1.0 128.1 20.2 2
! 43 E -87.894 121.704 9.774 11.317 0.262 0.816 25 18 Strong
assign (resid 42 and name C ) (resid 43 and name N )
(resid 43 and name CA ) (resid 43 and name C ) 1.0 -87.9 20.0 2
assign (resid 43 and name N ) (resid 43 and name CA )
(resid 43 and name C ) (resid 44 and name N ) 1.0 121.7 22.6 2
! 44 I -94.040 131.060 18.710 11.881 0.194 0.817 25 18 Strong
assign (resid 43 and name C ) (resid 44 and name N )
(resid 44 and name CA ) (resid 44 and name C ) 1.0 -94.0 37.4 2
assign (resid 44 and name N ) (resid 44 and name CA )
(resid 44 and name C ) (resid 45 and name N ) 1.0 131.1 23.8 2
! 45 K -75.388 126.829 11.293 14.161 0.175 0.843 25 18 Strong
assign (resid 44 and name C ) (resid 45 and name N )
(resid 45 and name CA ) (resid 45 and name C ) 1.0 -75.4 22.6 2
assign (resid 45 and name N ) (resid 45 and name CA )
(resid 45 and name C ) (resid 46 and name N ) 1.0 126.8 28.3 2
! 46 K -57.267 -39.498 5.648 5.535 0.125 0.892 25 18 Strong
assign (resid 45 and name C ) (resid 46 and name N )
(resid 46 and name CA ) (resid 46 and name C ) 1.0 -57.3 20.0 2
assign (resid 46 and name N ) (resid 46 and name CA )
(resid 46 and name C ) (resid 47 and name N ) 1.0 -39.5 20.0 2
! 47 D -64.068 -35.352 4.777 5.992 0.089 0.914 25 18 Strong
assign (resid 46 and name C ) (resid 47 and name N )
(resid 47 and name CA ) (resid 47 and name C ) 1.0 -64.1 20.0 2
assign (resid 47 and name N ) (resid 47 and name CA )
(resid 47 and name C ) (resid 48 and name N ) 1.0 -35.4 20.0 2
! 48 E -71.466 -40.243 3.886 3.585 0.061 0.918 25 18 Strong
assign (resid 47 and name C ) (resid 48 and name N )
(resid 48 and name CA ) (resid 48 and name C ) 1.0 -71.5 20.0 2
assign (resid 48 and name N ) (resid 48 and name CA )
(resid 48 and name C ) (resid 49 and name N ) 1.0 -40.2 20.0 2
! 49 V -64.069 -42.224 5.489 3.280 0.056 0.916 25 18 Strong
assign (resid 48 and name C ) (resid 49 and name N )
(resid 49 and name CA ) (resid 49 and name C ) 1.0 -64.1 20.0 2
assign (resid 49 and name N ) (resid 49 and name CA )
(resid 49 and name C ) (resid 50 and name N ) 1.0 -42.2 20.0 2
! 50 E -64.720 -39.686 2.615 3.407 0.062 0.916 25 18 Strong
assign (resid 49 and name C ) (resid 50 and name N )
(resid 50 and name CA ) (resid 50 and name C ) 1.0 -64.7 20.0 2
assign (resid 50 and name N ) (resid 50 and name CA )
(resid 50 and name C ) (resid 51 and name N ) 1.0 -39.7 20.0 2
! 51 K -65.503 -41.026 3.121 4.233 0.072 0.911 25 18 Strong
assign (resid 50 and name C ) (resid 51 and name N )
(resid 51 and name CA ) (resid 51 and name C ) 1.0 -65.5 20.0 2
assign (resid 51 and name N ) (resid 51 and name CA )
(resid 51 and name C ) (resid 52 and name N ) 1.0 -41.0 20.0 2
! 52 L -64.627 -43.933 3.745 4.200 0.094 0.898 25 18 Strong
assign (resid 51 and name C ) (resid 52 and name N )
(resid 52 and name CA ) (resid 52 and name C ) 1.0 -64.6 20.0 2
assign (resid 52 and name N ) (resid 52 and name CA )
(resid 52 and name C ) (resid 53 and name N ) 1.0 -43.9 20.0 2
! 53 S -63.098 -31.967 3.768 4.835 0.137 0.871 25 18 Strong
assign (resid 52 and name C ) (resid 53 and name N )
(resid 53 and name CA ) (resid 53 and name C ) 1.0 -63.1 20.0 2
assign (resid 53 and name N ) (resid 53 and name CA )
(resid 53 and name C ) (resid 54 and name N ) 1.0 -32.0 20.0 2
! 54 S -77.676 -19.134 10.141 9.812 0.154 0.850 25 18 Strong
assign (resid 53 and name C ) (resid 54 and name N )
(resid 54 and name CA ) (resid 54 and name C ) 1.0 -77.7 20.3 2
assign (resid 54 and name N ) (resid 54 and name CA )
(resid 54 and name C ) (resid 55 and name N ) 1.0 -19.1 20.0 2
! 55 R -105.657 -6.161 11.141 16.357 0.290 0.829 25 18 Strong
assign (resid 54 and name C ) (resid 55 and name N )
(resid 55 and name CA ) (resid 55 and name C ) 1.0 -105.7 22.3 2
assign (resid 55 and name N ) (resid 55 and name CA )
(resid 55 and name C ) (resid 56 and name N ) 1.0 -6.2 32.7 2
! 56 I -115.623 135.026 11.772 14.775 0.362 0.845 25 16 Strong
assign (resid 55 and name C ) (resid 56 and name N )
(resid 56 and name CA ) (resid 56 and name C ) 1.0 -115.6 23.5 2
assign (resid 56 and name N ) (resid 56 and name CA )
(resid 56 and name C ) (resid 57 and name N ) 1.0 135.0 29.6 2
! 57 P -63.025 142.685 7.199 7.419 0.469 0.847 25 16 Strong
assign (resid 56 and name C ) (resid 57 and name N )
(resid 57 and name CA ) (resid 57 and name C ) 1.0 -63.0 20.0 2
assign (resid 57 and name N ) (resid 57 and name CA )
(resid 57 and name C ) (resid 58 and name N ) 1.0 142.7 20.0 2
! 58 L -56.992 -37.066 4.814 5.975 0.736 0.870 25 16 Strong
assign (resid 57 and name C ) (resid 58 and name N )
(resid 58 and name CA ) (resid 58 and name C ) 1.0 -57.0 20.0 2
assign (resid 58 and name N ) (resid 58 and name CA )
(resid 58 and name C ) (resid 59 and name N ) 1.0 -37.1 20.0 2
! 59 Y -63.319 -27.078 5.766 8.827 0.542 0.852 25 18 Strong
assign (resid 58 and name C ) (resid 59 and name N )
(resid 59 and name CA ) (resid 59 and name C ) 1.0 -63.3 20.0 2
assign (resid 59 and name N ) (resid 59 and name CA )
(resid 59 and name C ) (resid 60 and name N ) 1.0 -27.1 20.0 2
! 60 L -83.985 -23.968 14.275 19.036 0.484 0.855 25 18 Strong
assign (resid 59 and name C ) (resid 60 and name N )
(resid 60 and name CA ) (resid 60 and name C ) 1.0 -84.0 28.6 2
assign (resid 60 and name N ) (resid 60 and name CA )
(resid 60 and name C ) (resid 61 and name N ) 1.0 -24.0 38.1 2
! 61 W -61.561 -31.566 7.326 8.675 0.381 0.831 25 18 Strong
assign (resid 60 and name C ) (resid 61 and name N )
(resid 61 and name CA ) (resid 61 and name C ) 1.0 -61.6 20.0 2
assign (resid 61 and name N ) (resid 61 and name CA )
(resid 61 and name C ) (resid 62 and name N ) 1.0 -31.6 20.0 2
! 62 S -78.041 -12.463 9.493 8.093 0.298 0.817 25 18 Strong
assign (resid 61 and name C ) (resid 62 and name N )
(resid 62 and name CA ) (resid 62 and name C ) 1.0 -78.0 20.0 2
assign (resid 62 and name N ) (resid 62 and name CA )
(resid 62 and name C ) (resid 63 and name N ) 1.0 -12.5 20.0 2
! 64 V -86.061 127.604 13.714 6.526 0.301 0.794 25 18 Strong
assign (resid 63 and name C ) (resid 64 and name N )
(resid 64 and name CA ) (resid 64 and name C ) 1.0 -86.1 27.4 2
assign (resid 64 and name N ) (resid 64 and name CA )
(resid 64 and name C ) (resid 65 and name N ) 1.0 127.6 20.0 2
! 65 K -117.728 142.432 13.257 15.144 0.320 0.805 25 18 Strong
assign (resid 64 and name C ) (resid 65 and name N )
(resid 65 and name CA ) (resid 65 and name C ) 1.0 -117.7 26.5 2
assign (resid 65 and name N ) (resid 65 and name CA )
(resid 65 and name C ) (resid 66 and name N ) 1.0 142.4 30.3 2
! 66 I -120.813 131.961 11.588 16.628 0.428 0.797 25 16 Strong
assign (resid 65 and name C ) (resid 66 and name N )
(resid 66 and name CA ) (resid 66 and name C ) 1.0 -120.8 23.2 2
assign (resid 66 and name N ) (resid 66 and name CA )
(resid 66 and name C ) (resid 67 and name N ) 1.0 132.0 33.3 2
! 67 P -69.934 143.837 8.296 6.909 0.436 0.796 25 16 Strong
assign (resid 66 and name C ) (resid 67 and name N )
(resid 67 and name CA ) (resid 67 and name C ) 1.0 -69.9 20.0 2
assign (resid 67 and name N ) (resid 67 and name CA )
(resid 67 and name C ) (resid 68 and name N ) 1.0 143.8 20.0 2
! 68 F -102.482 126.778 14.521 9.192 0.347 0.813 25 16 Strong
assign (resid 67 and name C ) (resid 68 and name N )
(resid 68 and name CA ) (resid 68 and name C ) 1.0 -102.5 29.0 2
assign (resid 68 and name N ) (resid 68 and name CA )
(resid 68 and name C ) (resid 69 and name N ) 1.0 126.8 20.0 2
! 69 I -111.241 126.093 8.095 7.689 0.376 0.864 25 18 Strong
assign (resid 68 and name C ) (resid 69 and name N )
(resid 69 and name CA ) (resid 69 and name C ) 1.0 -111.2 20.0 2
assign (resid 69 and name N ) (resid 69 and name CA )
(resid 69 and name C ) (resid 70 and name N ) 1.0 126.1 20.0 2
! 70 F -111.601 131.734 8.424 9.701 0.381 0.893 25 18 Strong
assign (resid 69 and name C ) (resid 70 and name N )
(resid 70 and name CA ) (resid 70 and name C ) 1.0 -111.6 20.0 2
assign (resid 70 and name N ) (resid 70 and name CA )
(resid 70 and name C ) (resid 71 and name N ) 1.0 131.7 20.0 2
! 71 I -114.787 126.996 11.894 6.143 0.347 0.875 25 18 Strong
assign (resid 70 and name C ) (resid 71 and name N )
(resid 71 and name CA ) (resid 71 and name C ) 1.0 -114.8 23.8 2
assign (resid 71 and name N ) (resid 71 and name CA )
(resid 71 and name C ) (resid 72 and name N ) 1.0 127.0 20.0 2
! 72 K -70.807 131.303 9.601 9.085 0.332 0.833 25 18 Strong
assign (resid 71 and name C ) (resid 72 and name N )
(resid 72 and name CA ) (resid 72 and name C ) 1.0 -70.8 20.0 2
assign (resid 72 and name N ) (resid 72 and name CA )
(resid 72 and name C ) (resid 73 and name N ) 1.0 131.3 20.0 2
! 73 S -87.265 133.217 19.707 23.462 0.400 0.758 25 18 Strong
assign (resid 72 and name C ) (resid 73 and name N )
(resid 73 and name CA ) (resid 73 and name C ) 1.0 -87.3 39.4 2
assign (resid 73 and name N ) (resid 73 and name CA )
(resid 73 and name C ) (resid 74 and name N ) 1.0 133.2 46.9 2
! 74 S -67.000 -22.505 6.078 10.898 0.400 0.654 25 18 Strong
assign (resid 73 and name C ) (resid 74 and name N )
(resid 74 and name CA ) (resid 74 and name C ) 1.0 -67.0 20.0 2
assign (resid 74 and name N ) (resid 74 and name CA )
(resid 74 and name C ) (resid 75 and name N ) 1.0 -22.5 21.8 2
!assign (resid 75 and name C ) (resid 76 and name N )
! (resid 76 and name CA ) (resid 76 and name C ) 1.0 -120.0 50.0 2
! 78 E -128.788 144.487 20.766 9.922 0.268 0.774 25 17 Strong
assign (resid 77 and name C ) (resid 78 and name N )
(resid 78 and name CA ) (resid 78 and name C ) 1.0 -128.8 41.5 2
assign (resid 78 and name N ) (resid 78 and name CA )
(resid 78 and name C ) (resid 79 and name N ) 1.0 144.5 20.0 2
! 79 Y -123.443 139.228 9.443 9.805 0.278 0.825 25 18 Strong
assign (resid 78 and name C ) (resid 79 and name N )
(resid 79 and name CA ) (resid 79 and name C ) 1.0 -123.4 20.0 2
assign (resid 79 and name N ) (resid 79 and name CA )
(resid 79 and name C ) (resid 80 and name N ) 1.0 139.2 20.0 2
! 80 F -106.299 128.218 10.086 7.071 0.325 0.825 25 18 Strong
assign (resid 79 and name C ) (resid 80 and name N )
(resid 80 and name CA ) (resid 80 and name C ) 1.0 -106.3 20.2 2
assign (resid 80 and name N ) (resid 80 and name CA )
(resid 80 and name C ) (resid 81 and name N ) 1.0 128.2 20.0 2
! 81 V -92.986 127.856 15.573 12.495 0.310 0.766 25 18 Strong
assign (resid 80 and name C ) (resid 81 and name N )
(resid 81 and name CA ) (resid 81 and name C ) 1.0 -93.0 31.1 2
assign (resid 81 and name N ) (resid 81 and name CA )
(resid 81 and name C ) (resid 82 and name N ) 1.0 127.9 25.0 2
! 82 S -105.135 145.023 26.724 28.291 0.326 0.722 10 17 Generous
assign (resid 81 and name C ) (resid 82 and name N )
(resid 82 and name CA ) (resid 82 and name C ) 1.0 -105.1 80.2 2
assign (resid 82 and name N ) (resid 82 and name CA )
(resid 82 and name C ) (resid 83 and name N ) 1.0 145.0 84.9 2
! 83 G 95.669 -178.463 17.801 11.503 0.319 0.721 25 17 Strong
assign (resid 82 and name C ) (resid 83 and name N )
(resid 83 and name CA ) (resid 83 and name C ) 1.0 95.7 35.6 2
assign (resid 83 and name N ) (resid 83 and name CA )
(resid 83 and name C ) (resid 84 and name N ) 1.0 -178.5 23.0 2
! 85 Q -59.657 -38.890 7.805 5.336 0.213 0.828 25 18 Strong
assign (resid 84 and name C ) (resid 85 and name N )
(resid 85 and name CA ) (resid 85 and name C ) 1.0 -59.7 20.0 2
assign (resid 85 and name N ) (resid 85 and name CA )
(resid 85 and name C ) (resid 86 and name N ) 1.0 -38.9 20.0 2
! 86 W -65.354 -35.504 5.534 9.273 0.196 0.859 25 18 Strong
assign (resid 85 and name C ) (resid 86 and name N )
(resid 86 and name CA ) (resid 86 and name C ) 1.0 -65.4 20.0 2
assign (resid 86 and name N ) (resid 86 and name CA )
(resid 86 and name C ) (resid 87 and name N ) 1.0 -35.5 20.0 2
! 87 N -69.066 -40.980 4.275 3.811 0.127 0.879 25 18 Strong
assign (resid 86 and name C ) (resid 87 and name N )
(resid 87 and name CA ) (resid 87 and name C ) 1.0 -69.1 20.0 2
assign (resid 87 and name N ) (resid 87 and name CA )
(resid 87 and name C ) (resid 88 and name N ) 1.0 -41.0 20.0 2
! 88 K -62.727 -41.265 3.450 3.610 0.085 0.885 25 18 Strong
assign (resid 87 and name C ) (resid 88 and name N )
(resid 88 and name CA ) (resid 88 and name C ) 1.0 -62.7 20.0 2
assign (resid 88 and name N ) (resid 88 and name CA )
(resid 88 and name C ) (resid 89 and name N ) 1.0 -41.3 20.0 2
! 89 K -64.284 -40.469 3.022 4.176 0.078 0.883 25 18 Strong
assign (resid 88 and name C ) (resid 89 and name N )
(resid 89 and name CA ) (resid 89 and name C ) 1.0 -64.3 20.0 2
assign (resid 89 and name N ) (resid 89 and name CA )
(resid 89 and name C ) (resid 90 and name N ) 1.0 -40.5 20.0 2
! 90 A -63.929 -40.953 4.281 4.082 0.067 0.884 25 18 Strong
assign (resid 89 and name C ) (resid 90 and name N )
(resid 90 and name CA ) (resid 90 and name C ) 1.0 -63.9 20.0 2
assign (resid 90 and name N ) (resid 90 and name CA )
(resid 90 and name C ) (resid 91 and name N ) 1.0 -41.0 20.0 2
! 91 I -64.684 -38.762 3.367 5.461 0.066 0.890 25 18 Strong
assign (resid 90 and name C ) (resid 91 and name N )
(resid 91 and name CA ) (resid 91 and name C ) 1.0 -64.7 20.0 2
assign (resid 91 and name N ) (resid 91 and name CA )
(resid 91 and name C ) (resid 92 and name N ) 1.0 -38.8 20.0 2
! 92 S -63.376 -40.004 3.732 3.606 0.076 0.901 25 18 Strong
assign (resid 91 and name C ) (resid 92 and name N )
(resid 92 and name CA ) (resid 92 and name C ) 1.0 -63.4 20.0 2
assign (resid 92 and name N ) (resid 92 and name CA )
(resid 92 and name C ) (resid 93 and name N ) 1.0 -40.0 20.0 2
! 93 I -67.618 -43.191 4.263 4.450 0.087 0.895 25 18 Strong
assign (resid 92 and name C ) (resid 93 and name N )
(resid 93 and name CA ) (resid 93 and name C ) 1.0 -67.6 20.0 2
assign (resid 93 and name N ) (resid 93 and name CA )
(resid 93 and name C ) (resid 94 and name N ) 1.0 -43.2 20.0 2
! 94 L -68.350 -39.224 5.429 5.813 0.099 0.857 25 18 Strong
assign (resid 93 and name C ) (resid 94 and name N )
(resid 94 and name CA ) (resid 94 and name C ) 1.0 -68.3 20.0 2
assign (resid 94 and name N ) (resid 94 and name CA )
(resid 94 and name C ) (resid 95 and name N ) 1.0 -39.2 20.0 2
! 95 L -86.853 -15.570 5.443 8.750 0.107 0.828 25 17 Strong
assign (resid 94 and name C ) (resid 95 and name N )
(resid 95 and name CA ) (resid 95 and name C ) 1.0 -86.9 20.0 2
assign (resid 95 and name N ) (resid 95 and name CA )
(resid 95 and name C ) (resid 96 and name N ) 1.0 -15.6 20.0 2
! 96 G 72.407 23.915 8.632 9.599 0.139 0.803 10 17 Generous
assign (resid 95 and name C ) (resid 96 and name N )
(resid 96 and name CA ) (resid 96 and name C ) 1.0 72.4 30.0 2
assign (resid 96 and name N ) (resid 96 and name CA )
(resid 96 and name C ) (resid 97 and name N ) 1.0 23.9 30.0 2
! 97 R -146.354 155.941 16.973 8.349 0.187 0.819 25 17 Strong
assign (resid 96 and name C ) (resid 97 and name N )
(resid 97 and name CA ) (resid 97 and name C ) 1.0 -146.4 33.9 2
assign (resid 97 and name N ) (resid 97 and name CA )
(resid 97 and name C ) (resid 98 and name N ) 1.0 155.9 20.0 2
! 98 E -69.071 131.883 6.999 8.819 0.293 0.799 25 18 Strong
assign (resid 97 and name C ) (resid 98 and name N )
(resid 98 and name CA ) (resid 98 and name C ) 1.0 -69.1 20.0 2
assign (resid 98 and name N ) (resid 98 and name CA )
(resid 98 and name C ) (resid 99 and name N ) 1.0 131.9 20.0 2
! 99 I -102.851 129.304 16.869 9.747 0.310 0.795 25 18 Strong
assign (resid 98 and name C ) (resid 99 and name N )
(resid 99 and name CA ) (resid 99 and name C ) 1.0 -102.9 33.7 2
assign (resid 99 and name N ) (resid 99 and name CA )
(resid 99 and name C ) (resid 100 and name N ) 1.0 129.3 20.0 2
! 102 V -133.842 149.898 9.254 13.330 0.489 0.893 25 18 Strong
assign (resid 101 and name C ) (resid 102 and name N )
(resid 102 and name CA ) (resid 102 and name C ) 1.0 -133.8 20.0 2
assign (resid 102 and name N ) (resid 102 and name CA )
(resid 102 and name C ) (resid 103 and name N ) 1.0 149.9 26.7 2
! 103 I -133.694 148.208 15.196 12.036 0.349 0.917 25 18 Strong
assign (resid 102 and name C ) (resid 103 and name N )
(resid 103 and name CA ) (resid 103 and name C ) 1.0 -133.7 30.4 2
assign (resid 103 and name N ) (resid 103 and name CA )
(resid 103 and name C ) (resid 104 and name N ) 1.0 148.2 24.1 2
! 104 L -96.313 140.639 16.468 18.105 0.397 0.921 25 18 Strong
assign (resid 103 and name C ) (resid 104 and name N )
(resid 104 and name CA ) (resid 104 and name C ) 1.0 -96.3 32.9 2
assign (resid 104 and name N ) (resid 104 and name CA )
(resid 104 and name C ) (resid 105 and name N ) 1.0 140.6 36.2 2
! 105 N -59.058 -37.595 4.000 5.279 0.190 0.913 25 18 Strong
assign (resid 104 and name C ) (resid 105 and name N )
(resid 105 and name CA ) (resid 105 and name C ) 1.0 -59.1 20.0 2
assign (resid 105 and name N ) (resid 105 and name CA )
(resid 105 and name C ) (resid 106 and name N ) 1.0 -37.6 20.0 2
! 106 V -64.590 -36.497 5.154 5.708 0.150 0.908 25 18 Strong
assign (resid 105 and name C ) (resid 106 and name N )
(resid 106 and name CA ) (resid 106 and name C ) 1.0 -64.6 20.0 2
assign (resid 106 and name N ) (resid 106 and name CA )
(resid 106 and name C ) (resid 107 and name N ) 1.0 -36.5 20.0 2
! 107 D -69.320 -39.649 4.050 4.131 0.116 0.915 25 18 Strong
assign (resid 106 and name C ) (resid 107 and name N )
(resid 107 and name CA ) (resid 107 and name C ) 1.0 -69.3 20.0 2
assign (resid 107 and name N ) (resid 107 and name CA )
(resid 107 and name C ) (resid 108 and name N ) 1.0 -39.6 20.0 2
! 108 V -64.094 -44.077 3.206 3.170 0.069 0.924 25 18 Strong
assign (resid 107 and name C ) (resid 108 and name N )
(resid 108 and name CA ) (resid 108 and name C ) 1.0 -64.1 20.0 2
assign (resid 108 and name N ) (resid 108 and name CA )
(resid 108 and name C ) (resid 109 and name N ) 1.0 -44.1 20.0 2
! 109 E -62.709 -41.656 3.750 3.290 0.058 0.924 25 18 Strong
assign (resid 108 and name C ) (resid 109 and name N )
(resid 109 and name CA ) (resid 109 and name C ) 1.0 -62.7 20.0 2
assign (resid 109 and name N ) (resid 109 and name CA )
(resid 109 and name C ) (resid 110 and name N ) 1.0 -41.7 20.0 2
! 110 K -65.047 -42.754 4.581 4.359 0.056 0.905 25 18 Strong
assign (resid 109 and name C ) (resid 110 and name N )
(resid 110 and name CA ) (resid 110 and name C ) 1.0 -65.0 20.0 2
assign (resid 110 and name N ) (resid 110 and name CA )
(resid 110 and name C ) (resid 111 and name N ) 1.0 -42.8 20.0 2
! 111 L -64.462 -43.102 2.192 4.883 0.071 0.882 25 18 Strong
assign (resid 110 and name C ) (resid 111 and name N )
(resid 111 and name CA ) (resid 111 and name C ) 1.0 -64.5 20.0 2
assign (resid 111 and name N ) (resid 111 and name CA )
(resid 111 and name C ) (resid 112 and name N ) 1.0 -43.1 20.0 2
! 112 L -64.830 -33.378 3.128 6.597 0.115 0.863 25 18 Strong
assign (resid 111 and name C ) (resid 112 and name N )
(resid 112 and name CA ) (resid 112 and name C ) 1.0 -64.8 20.0 2
assign (resid 112 and name N ) (resid 112 and name CA )
(resid 112 and name C ) (resid 113 and name N ) 1.0 -33.4 20.0 2
! 113 R -72.687 -32.673 7.967 7.458 0.143 0.860 25 18 Strong
assign (resid 112 and name C ) (resid 113 and name N )
(resid 113 and name CA ) (resid 113 and name C ) 1.0 -72.7 20.0 2
assign (resid 113 and name N ) (resid 113 and name CA )
(resid 113 and name C ) (resid 114 and name N ) 1.0 -32.7 20.0 2
! 114 E -89.159 -26.337 7.838 8.086 0.223 0.865 25 18 Strong
assign (resid 113 and name C ) (resid 114 and name N )
(resid 114 and name CA ) (resid 114 and name C ) 1.0 -89.2 20.0 2
assign (resid 114 and name N ) (resid 114 and name CA )
(resid 114 and name C ) (resid 115 and name N ) 1.0 -26.3 20.0 2
! 115 Y -129.778 53.115 9.559 19.585 0.339 0.875 25 18 Strong
assign (resid 114 and name C ) (resid 115 and name N )
(resid 115 and name CA ) (resid 115 and name C ) 1.0 -129.8 20.0 2
assign (resid 115 and name N ) (resid 115 and name CA )
(resid 115 and name C ) (resid 116 and name N ) 1.0 53.1 39.2 2
! 116 T -58.690 -30.640 7.185 9.626 0.467 0.882 25 18 Strong
assign (resid 115 and name C ) (resid 116 and name N )
(resid 116 and name CA ) (resid 116 and name C ) 1.0 -58.7 20.0 2
assign (resid 116 and name N ) (resid 116 and name CA )
(resid 116 and name C ) (resid 117 and name N ) 1.0 -30.6 20.0 2
! 117 S -77.323 -14.408 9.891 8.904 0.534 0.885 25 18 Strong
assign (resid 116 and name C ) (resid 117 and name N )
(resid 117 and name CA ) (resid 117 and name C ) 1.0 -77.3 20.0 2
assign (resid 117 and name N ) (resid 117 and name CA )
(resid 117 and name C ) (resid 118 and name N ) 1.0 -14.4 20.0 2
! 118 L -100.348 -1.148 13.658 11.078 0.557 0.882 25 18 Strong
assign (resid 117 and name C ) (resid 118 and name N )
(resid 118 and name CA ) (resid 118 and name C ) 1.0 -100.3 27.3 2
assign (resid 118 and name N ) (resid 118 and name CA )
(resid 118 and name C ) (resid 119 and name N ) 1.0 -1.1 22.2 2
! 119 I -121.857 133.234 9.216 6.154 0.246 0.883 25 17 Strong
assign (resid 118 and name C ) (resid 119 and name N )
(resid 119 and name CA ) (resid 119 and name C ) 1.0 -121.9 20.0 2
assign (resid 119 and name N ) (resid 119 and name CA )
(resid 119 and name C ) (resid 120 and name N ) 1.0 133.2 20.0 2
! 120 F -112.162 133.301 15.554 11.333 0.254 0.879 25 17 Strong
assign (resid 119 and name C ) (resid 120 and name N )
(resid 120 and name CA ) (resid 120 and name C ) 1.0 -112.2 31.1 2
assign (resid 120 and name N ) (resid 120 and name CA )
(resid 120 and name C ) (resid 121 and name N ) 1.0 133.3 22.7 2
! 121 I -113.370 124.387 5.532 5.295 0.198 0.872 25 17 Strong
assign (resid 120 and name C ) (resid 121 and name N )
(resid 121 and name CA ) (resid 121 and name C ) 1.0 -113.4 20.0 2
assign (resid 121 and name N ) (resid 121 and name CA )
(resid 121 and name C ) (resid 122 and name N ) 1.0 124.4 20.0 2
! 122 I -109.638 119.377 7.266 7.720 0.186 0.826 25 18 Strong
assign (resid 121 and name C ) (resid 122 and name N )
(resid 122 and name CA ) (resid 122 and name C ) 1.0 -109.6 20.0 2
assign (resid 122 and name N ) (resid 122 and name CA )
(resid 122 and name C ) (resid 123 and name N ) 1.0 119.4 20.0 2
! 124 S -103.250 141.566 27.353 21.081 0.434 0.631 25 16 Strong
assign (resid 123 and name C ) (resid 124 and name N )
(resid 124 and name CA ) (resid 124 and name C ) 1.0 -103.2 54.7 2
assign (resid 124 and name N ) (resid 124 and name CA )
(resid 124 and name C ) (resid 125 and name N ) 1.0 141.6 42.2 2
! 131 E -67.800 -35.009 8.458 5.108 0.407 0.677 25 18 Strong
assign (resid 130 and name C ) (resid 131 and name N )
(resid 131 and name CA ) (resid 131 and name C ) 1.0 -67.8 20.0 2
assign (resid 131 and name N ) (resid 131 and name CA )
(resid 131 and name C ) (resid 132 and name N ) 1.0 -35.0 20.0 2
! 132 E -69.284 -36.351 4.712 6.666 0.296 0.755 25 18 Strong
assign (resid 131 and name C ) (resid 132 and name N )
(resid 132 and name CA ) (resid 132 and name C ) 1.0 -69.3 20.0 2
assign (resid 132 and name N ) (resid 132 and name CA )
(resid 132 and name C ) (resid 133 and name N ) 1.0 -36.4 20.0 2
! 133 T -68.702 -35.502 5.036 5.132 0.203 0.783 25 18 Strong
assign (resid 132 and name C ) (resid 133 and name N )
(resid 133 and name CA ) (resid 133 and name C ) 1.0 -68.7 20.0 2
assign (resid 133 and name N ) (resid 133 and name CA )
(resid 133 and name C ) (resid 134 and name N ) 1.0 -35.5 20.0 2
! 134 E -68.066 -38.710 4.735 4.699 0.136 0.796 25 18 Strong
assign (resid 133 and name C ) (resid 134 and name N )
(resid 134 and name CA ) (resid 134 and name C ) 1.0 -68.1 20.0 2
assign (resid 134 and name N ) (resid 134 and name CA )
(resid 134 and name C ) (resid 135 and name N ) 1.0 -38.7 20.0 2
! 135 L -67.251 -37.852 3.251 4.811 0.104 0.802 25 18 Strong
assign (resid 134 and name C ) (resid 135 and name N )
(resid 135 and name CA ) (resid 135 and name C ) 1.0 -67.3 20.0 2
assign (resid 135 and name N ) (resid 135 and name CA )
(resid 135 and name C ) (resid 136 and name N ) 1.0 -37.9 20.0 2
! 136 S -65.230 -37.378 3.536 3.025 0.093 0.817 25 18 Strong
assign (resid 135 and name C ) (resid 136 and name N )
(resid 136 and name CA ) (resid 136 and name C ) 1.0 -65.2 20.0 2
assign (resid 136 and name N ) (resid 136 and name CA )
(resid 136 and name C ) (resid 137 and name N ) 1.0 -37.4 20.0 2
! 137 E -68.201 -39.045 4.059 5.691 0.099 0.817 25 18 Strong
assign (resid 136 and name C ) (resid 137 and name N )
(resid 137 and name CA ) (resid 137 and name C ) 1.0 -68.2 20.0 2
assign (resid 137 and name N ) (resid 137 and name CA )
(resid 137 and name C ) (resid 138 and name N ) 1.0 -39.0 20.0 2
! 138 M -68.056 -40.384 4.657 6.573 0.124 0.802 25 18 Strong
assign (resid 137 and name C ) (resid 138 and name N )
(resid 138 and name CA ) (resid 138 and name C ) 1.0 -68.1 20.0 2
assign (resid 138 and name N ) (resid 138 and name CA )
(resid 138 and name C ) (resid 139 and name N ) 1.0 -40.4 20.0 2
! 139 L -66.927 -31.184 4.860 5.937 0.187 0.751 25 18 Strong
assign (resid 138 and name C ) (resid 139 and name N )
(resid 139 and name CA ) (resid 139 and name C ) 1.0 -66.9 20.0 2
assign (resid 139 and name N ) (resid 139 and name CA )
(resid 139 and name C ) (resid 140 and name N ) 1.0 -31.2 20.0 2
! 140 E -71.850 -18.615 6.346 6.762 0.275 0.660 25 18 Strong
assign (resid 139 and name C ) (resid 140 and name N )
(resid 140 and name CA ) (resid 140 and name C ) 1.0 -71.8 20.0 2
assign (resid 140 and name N ) (resid 140 and name CA )
(resid 140 and name C ) (resid 141 and name N ) 1.0 -18.6 20.0 2
! 2 I 16 0.793 0.057 0.150 g- -61.0 8.3
assign (resid 2 and name N ) (resid 2 and name CA )
(resid 2 and name CB ) (resid 2 and name CG1 ) 1.0 -61.0 20.0 2
! 5 I 15 0.847 0.051 0.102 g- -57.1 9.0
assign (resid 5 and name N ) (resid 5 and name CA )
(resid 5 and name CB ) (resid 5 and name CG1 ) 1.0 -57.1 20.0 2
! 6 F 15 0.738 0.163 0.099 g- -64.4 8.5
assign (resid 6 and name N ) (resid 6 and name CA )
(resid 6 and name CB ) (resid 6 and name CG ) 1.0 -64.4 20.0 2
! 12 D 18 0.735 0.071 0.194 g- -73.1 7.1
assign (resid 12 and name N ) (resid 12 and name CA )
(resid 12 and name CB ) (resid 12 and name CG ) 1.0 -73.1 20.0 2
! 13 I 18 0.757 0.091 0.152 g- -67.8 11.6
assign (resid 13 and name N ) (resid 13 and name CA )
(resid 13 and name CB ) (resid 13 and name CG1 ) 1.0 -67.8 23.2 2
! 14 F 18 0.808 0.027 0.165 g- -65.7 11.9
assign (resid 14 and name N ) (resid 14 and name CA )
(resid 14 and name CB ) (resid 14 and name CG ) 1.0 -65.7 23.8 2
! 17 S 16 0.647 0.176 0.176 g- -63.6 8.0
assign (resid 17 and name N ) (resid 17 and name CA )
(resid 17 and name CB ) (resid 17 and name OG ) 1.0 -63.6 20.0 2
! 21 Y 18 0.852 0.109 0.038 g- -69.8 5.5
assign (resid 21 and name N ) (resid 21 and name CA )
(resid 21 and name CB ) (resid 21 and name CG ) 1.0 -69.8 20.0 2
! 22 V 18 0.820 0.069 0.111 g- -57.0 9.5
assign (resid 22 and name N ) (resid 22 and name CA )
(resid 22 and name CB ) (resid 22 and name CG1 ) 1.0 -57.0 20.0 2
! 23 T 18 0.074 0.853 0.074 g+ 63.9 6.9
assign (resid 23 and name N ) (resid 23 and name CA )
(resid 23 and name CB ) (resid 23 and name OG1 ) 1.0 63.9 20.0 2
! 24 I 18 0.738 0.098 0.164 g- -65.0 10.5
assign (resid 24 and name N ) (resid 24 and name CA )
(resid 24 and name CB ) (resid 24 and name CG1 ) 1.0 -65.0 21.0 2
! 26 D 18 0.795 0.073 0.132 g- -72.7 6.3
assign (resid 26 and name N ) (resid 26 and name CA )
(resid 26 and name CB ) (resid 26 and name CG ) 1.0 -72.7 20.0 2
! 28 L 18 0.705 0.043 0.252 g- -68.6 7.0
assign (resid 28 and name N ) (resid 28 and name CA )
(resid 28 and name CB ) (resid 28 and name CG ) 1.0 -68.6 20.0 2
! 32 L 18 0.802 0.077 0.122 g- -61.3 8.9
assign (resid 32 and name N ) (resid 32 and name CA )
(resid 32 and name CB ) (resid 32 and name CG ) 1.0 -61.3 20.0 2
! 35 R 18 0.301 0.095 0.604 t -177.5 9.1
assign (resid 35 and name N ) (resid 35 and name CA )
(resid 35 and name CB ) (resid 35 and name CG ) 1.0 -177.5 20.0 2
! 36 L 18 0.892 0.054 0.054 g- -59.2 6.9
assign (resid 36 and name N ) (resid 36 and name CA )
(resid 36 and name CB ) (resid 36 and name CG ) 1.0 -59.2 20.0 2
! 39 N 18 0.643 0.043 0.314 g- -65.7 10.2
assign (resid 39 and name N ) (resid 39 and name CA )
(resid 39 and name CB ) (resid 39 and name CG ) 1.0 -65.7 20.4 2
! 40 F 18 0.710 0.145 0.145 g- -66.7 10.2
assign (resid 40 and name N ) (resid 40 and name CA )
(resid 40 and name CB ) (resid 40 and name CG ) 1.0 -66.7 20.4 2
! 41 Y 18 0.777 0.167 0.056 g- -55.9 12.6
assign (resid 41 and name N ) (resid 41 and name CA )
(resid 41 and name CB ) (resid 41 and name CG ) 1.0 -55.9 25.2 2
! 44 I 18 0.815 0.092 0.092 g- -61.2 9.8
assign (resid 44 and name N ) (resid 44 and name CA )
(resid 44 and name CB ) (resid 44 and name CG1 ) 1.0 -61.2 20.0 2
! 47 D 18 0.678 0.256 0.066 g- -70.3 9.7
assign (resid 47 and name N ) (resid 47 and name CA )
(resid 47 and name CB ) (resid 47 and name CG ) 1.0 -70.3 20.0 2
! 49 V 18 0.113 0.053 0.834 t 175.4 5.4
assign (resid 49 and name N ) (resid 49 and name CA )
(resid 49 and name CB ) (resid 49 and name CG1 ) 1.0 175.4 20.0 2
! 55 R 18 0.710 0.145 0.145 g- -59.9 9.4
assign (resid 55 and name N ) (resid 55 and name CA )
(resid 55 and name CB ) (resid 55 and name CG ) 1.0 -59.9 20.0 2
! 59 Y 18 0.684 0.083 0.232 g- -60.6 7.6
assign (resid 59 and name N ) (resid 59 and name CA )
(resid 59 and name CB ) (resid 59 and name CG ) 1.0 -60.6 20.0 2
! 60 L 18 0.705 0.043 0.252 g- -65.2 6.3
assign (resid 60 and name N ) (resid 60 and name CA )
(resid 60 and name CB ) (resid 60 and name CG ) 1.0 -65.2 20.0 2
! 63 L 18 0.692 0.045 0.263 g- -64.6 7.2
assign (resid 63 and name N ) (resid 63 and name CA )
(resid 63 and name CB ) (resid 63 and name CG ) 1.0 -64.6 20.0 2
! 64 V 18 0.069 0.111 0.820 t 178.8 4.4
assign (resid 64 and name N ) (resid 64 and name CA )
(resid 64 and name CB ) (resid 64 and name CG1 ) 1.0 178.8 20.0 2
! 65 K 18 0.659 0.138 0.203 g- -60.9 11.8
assign (resid 65 and name N ) (resid 65 and name CA )
(resid 65 and name CB ) (resid 65 and name CG ) 1.0 -60.9 23.6 2
! 68 F 16 0.753 0.093 0.154 g- -66.4 9.6
assign (resid 68 and name N ) (resid 68 and name CA )
(resid 68 and name CB ) (resid 68 and name CG ) 1.0 -66.4 20.0 2
! 69 I 18 0.843 0.096 0.061 g- -57.8 5.7
assign (resid 69 and name N ) (resid 69 and name CA )
(resid 69 and name CB ) (resid 69 and name CG1 ) 1.0 -57.8 20.0 2
! 70 F 18 0.676 0.175 0.149 g- -64.7 9.1
assign (resid 70 and name N ) (resid 70 and name CA )
(resid 70 and name CB ) (resid 70 and name CG ) 1.0 -64.7 20.0 2
! 71 I 18 0.855 0.097 0.048 g- -56.7 6.6
assign (resid 71 and name N ) (resid 71 and name CA )
(resid 71 and name CB ) (resid 71 and name CG1 ) 1.0 -56.7 20.0 2
! 76 I 17 0.783 0.157 0.060 g- -62.3 10.3
assign (resid 76 and name N ) (resid 76 and name CA )
(resid 76 and name CB ) (resid 76 and name CG1 ) 1.0 -62.3 20.6 2
! 79 Y 18 0.709 0.241 0.051 g- -60.6 5.1
assign (resid 79 and name N ) (resid 79 and name CA )
(resid 79 and name CB ) (resid 79 and name CG ) 1.0 -60.6 20.0 2
! 80 F 18 0.840 0.055 0.104 g- -65.3 8.7
assign (resid 80 and name N ) (resid 80 and name CA )
(resid 80 and name CB ) (resid 80 and name CG ) 1.0 -65.3 20.0 2
! 81 V 18 0.107 0.107 0.787 t -177.2 7.3
assign (resid 81 and name N ) (resid 81 and name CA )
(resid 81 and name CB ) (resid 81 and name CG1 ) 1.0 -177.2 20.0 2
! 84 E 17 0.616 0.088 0.296 g- -62.7 15.9
assign (resid 84 and name N ) (resid 84 and name CA )
(resid 84 and name CB ) (resid 84 and name CG ) 1.0 -62.7 31.8 2
! 86 W 18 0.786 0.067 0.147 g- -70.6 11.2
assign (resid 86 and name N ) (resid 86 and name CA )
(resid 86 and name CB ) (resid 86 and name CG ) 1.0 -70.6 22.4 2
! 87 N 18 0.712 0.044 0.244 g- -76.3 7.3
assign (resid 87 and name N ) (resid 87 and name CA )
(resid 87 and name CB ) (resid 87 and name CG ) 1.0 -76.3 20.0 2
! 91 I 18 0.898 0.051 0.051 g- -69.0 5.8
assign (resid 91 and name N ) (resid 91 and name CA )
(resid 91 and name CB ) (resid 91 and name CG1 ) 1.0 -69.0 20.0 2
! 93 I 18 0.898 0.051 0.051 g- -66.3 4.0
assign (resid 93 and name N ) (resid 93 and name CA )
(resid 93 and name CB ) (resid 93 and name CG1 ) 1.0 -66.3 20.0 2
! 94 L 18 0.766 0.047 0.187 g- -69.0 5.9
assign (resid 94 and name N ) (resid 94 and name CA )
(resid 94 and name CB ) (resid 94 and name CG ) 1.0 -69.0 20.0 2
! 95 L 17 0.892 0.054 0.054 g- -67.3 7.2
assign (resid 95 and name N ) (resid 95 and name CA )
(resid 95 and name CB ) (resid 95 and name CG ) 1.0 -67.3 20.0 2
! 97 R 17 0.604 0.301 0.095 g- -64.0 9.9
assign (resid 97 and name N ) (resid 97 and name CA )
(resid 97 and name CB ) (resid 97 and name CG ) 1.0 -64.0 20.0 2
! 99 I 18 0.835 0.064 0.101 g- -58.1 6.5
assign (resid 99 and name N ) (resid 99 and name CA )
(resid 99 and name CB ) (resid 99 and name CG1 ) 1.0 -58.1 20.0 2
! 101 N 18 0.617 0.226 0.157 g- -58.7 10.2
assign (resid 101 and name N ) (resid 101 and name CA )
(resid 101 and name CB ) (resid 101 and name CG ) 1.0 -58.7 20.4 2
! 103 I 18 0.232 0.629 0.140 g+ 60.3 6.8
assign (resid 103 and name N ) (resid 103 and name CA )
(resid 103 and name CB ) (resid 103 and name CG1 ) 1.0 60.3 20.0 2
! 104 L 18 0.705 0.043 0.252 g- -66.3 9.1
assign (resid 104 and name N ) (resid 104 and name CA )
(resid 104 and name CB ) (resid 104 and name CG ) 1.0 -66.3 20.0 2
! 107 D 18 0.620 0.060 0.320 g- -72.6 14.4
assign (resid 107 and name N ) (resid 107 and name CA )
(resid 107 and name CB ) (resid 107 and name CG ) 1.0 -72.6 28.8 2
! 108 V 18 0.055 0.073 0.872 t 174.8 5.9
assign (resid 108 and name N ) (resid 108 and name CA )
(resid 108 and name CB ) (resid 108 and name CG1 ) 1.0 174.8 20.0 2
! 111 L 18 0.692 0.045 0.263 g- -70.8 8.0
assign (resid 111 and name N ) (resid 111 and name CA )
(resid 111 and name CB ) (resid 111 and name CG ) 1.0 -70.8 20.0 2
! 112 L 18 0.692 0.045 0.263 g- -71.5 5.9
assign (resid 112 and name N ) (resid 112 and name CA )
(resid 112 and name CB ) (resid 112 and name CG ) 1.0 -71.5 20.0 2
! 115 Y 18 0.922 0.039 0.039 g- -62.4 6.2
assign (resid 115 and name N ) (resid 115 and name CA )
(resid 115 and name CB ) (resid 115 and name CG ) 1.0 -62.4 20.0 2
! 117 S 18 0.169 0.748 0.084 g+ 61.7 9.5
assign (resid 117 and name N ) (resid 117 and name CA )
(resid 117 and name CB ) (resid 117 and name OG ) 1.0 61.7 20.0 2
! 118 L 18 0.892 0.054 0.054 g- -62.7 9.2
assign (resid 118 and name N ) (resid 118 and name CA )
(resid 118 and name CB ) (resid 118 and name CG ) 1.0 -62.7 20.0 2
! 119 I 17 0.665 0.126 0.209 g- -61.0 14.6
assign (resid 119 and name N ) (resid 119 and name CA )
(resid 119 and name CB ) (resid 119 and name CG1 ) 1.0 -61.0 29.2 2
! 120 F 17 0.787 0.052 0.161 g- -65.3 9.4
assign (resid 120 and name N ) (resid 120 and name CA )
(resid 120 and name CB ) (resid 120 and name CG ) 1.0 -65.3 20.0 2
! 121 I 17 0.783 0.157 0.060 g- -55.4 8.9
assign (resid 121 and name N ) (resid 121 and name CA )
(resid 121 and name CB ) (resid 121 and name CG1 ) 1.0 -55.4 20.0 2
! 122 I 18 0.843 0.096 0.061 g- -57.8 9.0
assign (resid 122 and name N ) (resid 122 and name CA )
(resid 122 and name CB ) (resid 122 and name CG1 ) 1.0 -57.8 20.0 2
! 123 L 18 0.766 0.047 0.187 g- -54.6 9.4
assign (resid 123 and name N ) (resid 123 and name CA )
(resid 123 and name CB ) (resid 123 and name CG ) 1.0 -54.6 20.0 2
! 137 E 18 0.613 0.066 0.321 g- -70.3 7.1
assign (resid 137 and name N ) (resid 137 and name CA )
(resid 137 and name CB ) (resid 137 and name CG ) 1.0 -70.3 20.0 2
! 139 L 18 0.692 0.045 0.263 g- -68.8 5.3
assign (resid 139 and name N ) (resid 139 and name CA )
(resid 139 and name CB ) (resid 139 and name CG ) 1.0 -68.8 20.0 2
! 141 H 18 0.730 0.199 0.070 g- -63.6 7.5
assign (resid 141 and name N ) (resid 141 and name CA )
(resid 141 and name CB ) (resid 141 and name CG ) 1.0 -63.6 20.0 2
! 142 H 18 0.685 0.187 0.129 g- -58.6 8.1
assign (resid 142 and name N ) (resid 142 and name CA )
(resid 142 and name CB ) (resid 142 and name CG ) 1.0 -58.6 20.0 2
! 143 H 18 0.625 0.187 0.187 g- -65.0 12.5
assign (resid 143 and name N ) (resid 143 and name CA )
(resid 143 and name CB ) (resid 143 and name CG ) 1.0 -65.0 25.0 2
! 144 H 18 0.677 0.132 0.191 g- -58.8 12.4
assign (resid 144 and name N ) (resid 144 and name CA )
(resid 144 and name CB ) (resid 144 and name CG ) 1.0 -58.8 24.8 2
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