![]() |
NMR Restraints Grid |
![]() |
Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
![]() |
616717 |
5kkm ![]() ![]() |
30124 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H GLN 1 HN GLN 1 0.205 -5.671 -4.805 2 HA GLN 1 HA GLN 1 2.536 -4.881 -3.298 3 HB2 GLN 1 HB2 GLN 1 1.967 -5.515 -6.171 4 HB3 GLN 1 HB1 GLN 1 3.467 -4.691 -5.745 5 HG2 GLN 1 HG2 GLN 1 4.015 -6.486 -4.153 6 HG3 GLN 1 HG1 GLN 1 2.508 -7.308 -4.554 7 HE21 GLN 1 HE21 GLN 1 3.340 -6.024 -7.442 8 HE22 GLN 1 HE22 GLN 1 4.301 -7.275 -8.068 9 H TRP 2 HN TRP 2 1.419 -2.879 -2.498 10 HA TRP 2 HA TRP 2 2.025 -0.643 -4.323 11 HB2 TRP 2 HB2 TRP 2 -0.403 -0.953 -4.353 12 HB3 TRP 2 HB1 TRP 2 -0.445 -0.905 -2.592 13 HD1 TRP 2 HD1 TRP 2 0.207 1.325 -5.635 14 HE1 TRP 2 HE1 TRP 2 -0.041 3.788 -4.916 15 HE3 TRP 2 HE3 TRP 2 -0.364 0.720 -0.596 16 HZ2 TRP 2 HZ2 TRP 2 -0.434 5.301 -2.521 17 HZ3 TRP 2 HZ3 TRP 2 -0.676 2.688 0.879 18 HH2 TRP 2 HH2 TRP 2 -0.711 4.975 -0.076 19 H CYS 3 HN CYS 3 3.288 0.850 -3.414 20 HA CYS 3 HA CYS 3 3.644 0.781 -0.475 21 HB2 CYS 3 HB2 CYS 3 5.560 1.764 -2.605 22 HB3 CYS 3 HB1 CYS 3 5.879 1.698 -0.873 23 H GLN 4 HN GLN 4 3.254 2.571 0.682 24 HA GLN 4 HA GLN 4 1.937 4.784 -0.532 25 HB2 GLN 4 HB2 GLN 4 1.839 5.698 1.762 26 HB3 GLN 4 HB1 GLN 4 1.347 4.023 1.718 27 HG2 GLN 4 HG2 GLN 4 4.156 4.855 2.396 28 HG3 GLN 4 HG1 GLN 4 2.906 4.668 3.613 29 HE21 GLN 4 HE21 GLN 4 5.214 2.996 3.638 30 HE22 GLN 4 HE22 GLN 4 4.737 1.415 3.254 31 HA PRO 5 HA PRO 5 5.241 7.590 -1.489 32 HB2 PRO 5 HB2 PRO 5 4.036 9.561 0.422 33 HB3 PRO 5 HB1 PRO 5 4.541 9.792 -1.265 34 HG2 PRO 5 HG2 PRO 5 1.989 9.575 -0.678 35 HG3 PRO 5 HG1 PRO 5 2.648 8.758 -2.108 36 HD2 PRO 5 HD2 PRO 5 1.871 7.588 0.539 37 HD3 PRO 5 HD1 PRO 5 1.686 6.915 -1.095 38 H GLY 6 HN GLY 6 7.289 7.924 -0.728 39 HA2 GLY 6 HA2 GLY 6 8.961 8.411 0.865 40 HA3 GLY 6 HA1 GLY 6 7.779 8.168 2.149 41 H TYR 7 HN TYR 7 7.155 5.653 0.275 42 HA TYR 7 HA TYR 7 9.197 3.912 1.529 43 HB2 TYR 7 HB2 TYR 7 6.251 3.453 1.067 44 HB3 TYR 7 HB1 TYR 7 7.371 2.144 1.421 45 HD1 TYR 7 HD1 TYR 7 6.298 5.501 2.702 46 HD2 TYR 7 HD2 TYR 7 7.877 1.623 3.642 47 HE1 TYR 7 HE1 TYR 7 6.179 6.034 5.123 48 HE2 TYR 7 HE2 TYR 7 7.774 2.153 6.054 49 HH TYR 7 HH TYR 7 6.966 5.379 7.189 50 H ALA 8 HN ALA 8 10.148 2.363 0.293 51 HA ALA 8 HA ALA 8 9.500 2.394 -2.594 52 HB1 ALA 8 HB1 ALA 8 11.919 1.495 -2.762 53 HB2 ALA 8 HB2 ALA 8 12.098 2.080 -1.107 54 HB3 ALA 8 HB3 ALA 8 11.697 3.207 -2.402 55 H TYR 9 HN TYR 9 8.941 0.527 -3.552 56 HA TYR 9 HA TYR 9 8.272 -1.745 -2.013 57 HB2 TYR 9 HB2 TYR 9 7.143 -1.234 -4.125 58 HB3 TYR 9 HB1 TYR 9 8.648 -1.501 -5.006 59 HD1 TYR 9 HD1 TYR 9 6.212 -3.168 -2.718 60 HD2 TYR 9 HD2 TYR 9 9.288 -3.685 -5.678 61 HE1 TYR 9 HE1 TYR 9 5.725 -5.597 -2.803 62 HE2 TYR 9 HE2 TYR 9 8.794 -6.112 -5.761 63 HH TYR 9 HH TYR 9 6.050 -7.474 -4.626 64 H ASN 10 HN ASN 10 9.382 -3.491 -1.433 65 HA ASN 10 HA ASN 10 12.103 -3.824 -2.510 66 HB2 ASN 10 HB2 ASN 10 11.002 -3.996 0.188 67 HB3 ASN 10 HB1 ASN 10 11.996 -5.380 -0.261 68 HD21 ASN 10 HD21 ASN 10 14.209 -5.105 -0.119 69 HD22 ASN 10 HD22 ASN 10 14.989 -3.608 -0.006 70 HA PRO 11 HA PRO 11 10.035 -7.538 -4.092 71 HB2 PRO 11 HB2 PRO 11 12.031 -8.375 -5.769 72 HB3 PRO 11 HB1 PRO 11 10.860 -7.115 -6.191 73 HG2 PRO 11 HG2 PRO 11 13.689 -6.867 -5.372 74 HG3 PRO 11 HG1 PRO 11 12.725 -5.856 -6.462 75 HD2 PRO 11 HD2 PRO 11 13.365 -5.220 -3.828 76 HD3 PRO 11 HD1 PRO 11 12.056 -4.473 -4.763 77 H VAL 12 HN VAL 12 13.307 -7.370 -2.824 78 HA VAL 12 HA VAL 12 13.718 -10.141 -2.402 79 HB VAL 12 HB VAL 12 14.878 -7.700 -1.048 80 HG11 VAL 12 HG11 VAL 12 15.381 -9.242 0.578 81 HG12 VAL 12 HG12 VAL 12 16.674 -9.646 -0.551 82 HG13 VAL 12 HG13 VAL 12 15.198 -10.611 -0.519 83 HG21 VAL 12 HG21 VAL 12 16.051 -9.658 -3.048 84 HG22 VAL 12 HG22 VAL 12 16.814 -8.187 -2.446 85 HG23 VAL 12 HG23 VAL 12 15.386 -8.081 -3.475 86 H LEU 13 HN LEU 13 12.461 -7.557 -0.304 87 HA LEU 13 HA LEU 13 11.914 -9.418 1.856 88 HB2 LEU 13 HB2 LEU 13 11.108 -6.513 1.542 89 HB3 LEU 13 HB1 LEU 13 11.009 -7.465 3.020 90 HG LEU 13 HG LEU 13 13.566 -6.831 1.513 91 HD11 LEU 13 HD11 LEU 13 12.085 -5.497 3.699 92 HD12 LEU 13 HD12 LEU 13 13.276 -4.838 2.576 93 HD13 LEU 13 HD13 LEU 13 13.807 -5.733 4.000 94 HD21 LEU 13 HD21 LEU 13 14.432 -7.678 3.878 95 HD22 LEU 13 HD22 LEU 13 14.061 -8.831 2.597 96 HD23 LEU 13 HD23 LEU 13 12.895 -8.542 3.887 97 H GLY 14 HN GLY 14 10.217 -7.984 -0.825 98 HA2 GLY 14 HA2 GLY 14 8.196 -8.673 -1.757 99 HA3 GLY 14 HA1 GLY 14 7.943 -9.724 -0.367 100 H ILE 15 HN ILE 15 8.781 -6.727 0.791 101 HA ILE 15 HA ILE 15 5.998 -5.750 0.839 102 HB ILE 15 HB ILE 15 6.390 -5.123 3.265 103 HG12 ILE 15 HG12 ILE 15 8.080 -6.600 4.434 104 HG13 ILE 15 HG11 ILE 15 8.716 -7.034 2.852 105 HG21 ILE 15 HG21 ILE 15 6.045 -7.554 4.018 106 HG22 ILE 15 HG22 ILE 15 6.226 -7.985 2.317 107 HG23 ILE 15 HG23 ILE 15 4.911 -6.924 2.824 108 HD11 ILE 15 HD11 ILE 15 8.448 -4.121 3.490 109 HD12 ILE 15 HD12 ILE 15 9.651 -4.949 2.504 110 HD13 ILE 15 HD13 ILE 15 9.752 -5.021 4.260 111 H CYS 16 HN CYS 16 5.955 -3.467 1.855 112 HA CYS 16 HA CYS 16 7.890 -1.864 0.376 113 HB2 CYS 16 HB2 CYS 16 5.485 -1.036 2.025 114 HB3 CYS 16 HB1 CYS 16 6.438 0.027 0.992 115 H THR 17 HN THR 17 9.455 -0.591 1.277 116 HA THR 17 HA THR 17 9.616 -0.499 4.231 117 HB THR 17 HB THR 17 12.060 -0.719 4.052 118 HG1 THR 17 HG1 THR 17 11.439 -1.038 1.308 119 HG21 THR 17 HG21 THR 17 10.999 -3.028 2.475 120 HG22 THR 17 HG22 THR 17 10.308 -2.714 4.068 121 HG23 THR 17 HG23 THR 17 12.036 -3.026 3.902 122 H ILE 18 HN ILE 18 10.671 1.330 5.108 123 HA ILE 18 HA ILE 18 10.108 3.741 3.684 124 HB ILE 18 HB ILE 18 10.091 3.250 6.258 125 HG12 ILE 18 HG12 ILE 18 11.301 5.844 5.247 126 HG13 ILE 18 HG11 ILE 18 9.587 5.451 5.125 127 HG21 ILE 18 HG21 ILE 18 12.100 3.620 7.425 128 HG22 ILE 18 HG22 ILE 18 12.874 4.381 6.034 129 HG23 ILE 18 HG23 ILE 18 12.610 2.637 6.052 130 HD11 ILE 18 HD11 ILE 18 10.536 4.971 7.815 131 HD12 ILE 18 HD12 ILE 18 9.232 6.024 7.267 132 HD13 ILE 18 HD13 ILE 18 10.889 6.627 7.321 133 H THR 19 HN THR 19 11.559 5.340 2.989 134 HA THR 19 HA THR 19 14.405 4.713 2.912 135 HB THR 19 HB THR 19 13.465 3.605 0.901 136 HG1 THR 19 HG1 THR 19 14.926 4.537 -0.490 137 HG21 THR 19 HG21 THR 19 12.345 4.845 -0.801 138 HG22 THR 19 HG22 THR 19 12.727 6.384 -0.028 139 HG23 THR 19 HG23 THR 19 11.559 5.290 0.714 140 H LEU 20 HN LEU 20 15.699 6.519 2.531 141 HA LEU 20 HA LEU 20 14.275 9.114 2.503 142 HB2 LEU 20 HB2 LEU 20 16.221 8.011 4.356 143 HB3 LEU 20 HB1 LEU 20 16.786 9.529 3.661 144 HG LEU 20 HG LEU 20 15.458 9.859 5.749 145 HD11 LEU 20 HD11 LEU 20 13.565 11.102 3.980 146 HD12 LEU 20 HD12 LEU 20 15.167 11.174 3.248 147 HD13 LEU 20 HD13 LEU 20 14.900 11.845 4.858 148 HD21 LEU 20 HD21 LEU 20 12.898 9.300 4.398 149 HD22 LEU 20 HD22 LEU 20 13.397 8.950 6.052 150 HD23 LEU 20 HD23 LEU 20 13.859 7.862 4.743 151 H SER 21 HN SER 21 16.520 7.094 0.972 152 HA SER 21 HA SER 21 17.981 7.383 -0.778 153 HB2 SER 21 HB2 SER 21 16.206 9.781 -1.283 154 HB3 SER 21 HB1 SER 21 17.329 9.077 -2.444 155 HG SER 21 HG SER 21 14.842 8.370 -1.972 156 H ARG 22 HN ARG 22 18.868 8.413 1.698 157 HA ARG 22 HA ARG 22 20.954 10.155 0.787 158 HB2 ARG 22 HB2 ARG 22 19.142 11.811 1.067 159 HB3 ARG 22 HB1 ARG 22 18.940 11.294 2.741 160 HG2 ARG 22 HG2 ARG 22 21.208 11.990 3.282 161 HG3 ARG 22 HG1 ARG 22 21.527 12.378 1.591 162 HD2 ARG 22 HD2 ARG 22 21.012 14.429 2.805 163 HD3 ARG 22 HD1 ARG 22 19.712 14.078 1.671 164 HE ARG 22 HE ARG 22 19.147 12.941 4.223 165 HH11 ARG 22 HH11 ARG 22 17.573 13.970 5.498 166 HH12 ARG 22 HH12 ARG 22 17.119 15.605 5.152 167 HH21 ARG 22 HH21 ARG 22 19.289 15.919 2.466 168 HH22 ARG 22 HH22 ARG 22 18.090 16.708 3.435 Start of MODEL 2 1 H GLN 1 HN GLN 1 0.547 -4.440 -6.716 2 HA GLN 1 HA GLN 1 1.132 -4.870 -4.109 3 HB2 GLN 1 HB2 GLN 1 3.602 -4.387 -3.933 4 HB3 GLN 1 HB1 GLN 1 3.205 -5.965 -4.611 5 HG2 GLN 1 HG2 GLN 1 3.487 -3.702 -6.531 6 HG3 GLN 1 HG1 GLN 1 4.963 -4.310 -5.783 7 HE21 GLN 1 HE21 GLN 1 5.815 -5.462 -7.594 8 HE22 GLN 1 HE22 GLN 1 5.018 -6.779 -8.307 9 H TRP 2 HN TRP 2 1.320 -2.974 -2.917 10 HA TRP 2 HA TRP 2 1.721 -0.469 -4.411 11 HB2 TRP 2 HB2 TRP 2 -0.708 -0.855 -4.331 12 HB3 TRP 2 HB1 TRP 2 -0.626 -1.022 -2.577 13 HD1 TRP 2 HD1 TRP 2 -0.336 1.562 -5.368 14 HE1 TRP 2 HE1 TRP 2 -0.480 3.921 -4.339 15 HE3 TRP 2 HE3 TRP 2 -0.219 0.367 -0.404 16 HZ2 TRP 2 HZ2 TRP 2 -0.538 5.140 -1.750 17 HZ3 TRP 2 HZ3 TRP 2 -0.319 2.145 1.318 18 HH2 TRP 2 HH2 TRP 2 -0.476 4.526 0.654 19 H CYS 3 HN CYS 3 2.908 0.990 -3.331 20 HA CYS 3 HA CYS 3 3.409 0.516 -0.451 21 HB2 CYS 3 HB2 CYS 3 5.296 1.634 -2.538 22 HB3 CYS 3 HB1 CYS 3 5.647 1.495 -0.817 23 H GLN 4 HN GLN 4 3.642 2.325 0.877 24 HA GLN 4 HA GLN 4 2.021 4.580 0.185 25 HB2 GLN 4 HB2 GLN 4 3.436 5.254 2.489 26 HB3 GLN 4 HB1 GLN 4 1.843 4.508 2.436 27 HG2 GLN 4 HG2 GLN 4 4.429 2.935 2.381 28 HG3 GLN 4 HG1 GLN 4 3.546 3.297 3.860 29 HE21 GLN 4 HE21 GLN 4 3.937 0.885 1.609 30 HE22 GLN 4 HE22 GLN 4 2.426 0.126 1.750 31 HA PRO 5 HA PRO 5 5.072 7.326 -1.379 32 HB2 PRO 5 HB2 PRO 5 4.543 9.680 -0.036 33 HB3 PRO 5 HB1 PRO 5 3.581 9.076 -1.398 34 HG2 PRO 5 HG2 PRO 5 3.037 8.917 1.523 35 HG3 PRO 5 HG1 PRO 5 1.919 9.203 0.177 36 HD2 PRO 5 HD2 PRO 5 2.122 6.784 1.403 37 HD3 PRO 5 HD1 PRO 5 1.722 6.937 -0.319 38 H GLY 6 HN GLY 6 7.196 7.788 -0.953 39 HA2 GLY 6 HA2 GLY 6 9.070 8.401 0.336 40 HA3 GLY 6 HA1 GLY 6 8.086 8.268 1.792 41 H TYR 7 HN TYR 7 7.226 5.616 0.238 42 HA TYR 7 HA TYR 7 9.373 3.958 1.416 43 HB2 TYR 7 HB2 TYR 7 6.407 3.492 1.134 44 HB3 TYR 7 HB1 TYR 7 7.529 2.171 1.430 45 HD1 TYR 7 HD1 TYR 7 6.685 5.593 2.725 46 HD2 TYR 7 HD2 TYR 7 8.068 1.634 3.638 47 HE1 TYR 7 HE1 TYR 7 6.726 6.160 5.139 48 HE2 TYR 7 HE2 TYR 7 8.121 2.199 6.045 49 HH TYR 7 HH TYR 7 6.543 4.552 7.408 50 H ALA 8 HN ALA 8 10.227 2.281 0.225 51 HA ALA 8 HA ALA 8 9.504 2.248 -2.645 52 HB1 ALA 8 HB1 ALA 8 11.706 2.938 -2.675 53 HB2 ALA 8 HB2 ALA 8 11.929 1.190 -2.726 54 HB3 ALA 8 HB3 ALA 8 12.114 2.058 -1.203 55 H TYR 9 HN TYR 9 8.899 0.373 -3.553 56 HA TYR 9 HA TYR 9 8.196 -1.847 -1.952 57 HB2 TYR 9 HB2 TYR 9 7.051 -1.353 -4.062 58 HB3 TYR 9 HB1 TYR 9 8.537 -1.685 -4.954 59 HD1 TYR 9 HD1 TYR 9 6.044 -3.214 -2.639 60 HD2 TYR 9 HD2 TYR 9 9.150 -3.911 -5.532 61 HE1 TYR 9 HE1 TYR 9 5.489 -5.631 -2.657 62 HE2 TYR 9 HE2 TYR 9 8.588 -6.325 -5.547 63 HH TYR 9 HH TYR 9 6.885 -7.820 -4.990 64 H ASN 10 HN ASN 10 9.276 -3.620 -1.361 65 HA ASN 10 HA ASN 10 11.971 -4.027 -2.481 66 HB2 ASN 10 HB2 ASN 10 10.930 -4.105 0.242 67 HB3 ASN 10 HB1 ASN 10 11.873 -5.530 -0.191 68 HD21 ASN 10 HD21 ASN 10 14.089 -5.317 -0.074 69 HD22 ASN 10 HD22 ASN 10 14.919 -3.842 -0.026 70 HA PRO 11 HA PRO 11 9.802 -7.736 -3.935 71 HB2 PRO 11 HB2 PRO 11 11.752 -8.661 -5.616 72 HB3 PRO 11 HB1 PRO 11 10.608 -7.380 -6.054 73 HG2 PRO 11 HG2 PRO 11 13.452 -7.189 -5.272 74 HG3 PRO 11 HG1 PRO 11 12.504 -6.181 -6.378 75 HD2 PRO 11 HD2 PRO 11 13.189 -5.489 -3.770 76 HD3 PRO 11 HD1 PRO 11 11.885 -4.738 -4.712 77 H VAL 12 HN VAL 12 13.104 -7.630 -2.728 78 HA VAL 12 HA VAL 12 13.442 -10.401 -2.250 79 HB VAL 12 HB VAL 12 14.695 -7.967 -0.969 80 HG11 VAL 12 HG11 VAL 12 15.033 -10.903 -0.458 81 HG12 VAL 12 HG12 VAL 12 15.075 -9.560 0.684 82 HG13 VAL 12 HG13 VAL 12 16.451 -9.857 -0.378 83 HG21 VAL 12 HG21 VAL 12 15.175 -8.372 -3.377 84 HG22 VAL 12 HG22 VAL 12 15.730 -9.998 -2.975 85 HG23 VAL 12 HG23 VAL 12 16.610 -8.593 -2.375 86 H LEU 13 HN LEU 13 12.305 -7.739 -0.180 87 HA LEU 13 HA LEU 13 11.754 -9.520 2.036 88 HB2 LEU 13 HB2 LEU 13 10.979 -6.621 1.624 89 HB3 LEU 13 HB1 LEU 13 10.870 -7.513 3.137 90 HG LEU 13 HG LEU 13 13.431 -6.976 1.598 91 HD11 LEU 13 HD11 LEU 13 12.059 -5.636 3.899 92 HD12 LEU 13 HD12 LEU 13 12.963 -4.921 2.564 93 HD13 LEU 13 HD13 LEU 13 13.822 -5.706 3.889 94 HD21 LEU 13 HD21 LEU 13 12.743 -8.593 4.029 95 HD22 LEU 13 HD22 LEU 13 14.286 -7.739 4.000 96 HD23 LEU 13 HD23 LEU 13 13.914 -8.933 2.755 97 H GLY 14 HN GLY 14 10.041 -8.177 -0.675 98 HA2 GLY 14 HA2 GLY 14 8.000 -8.876 -1.555 99 HA3 GLY 14 HA1 GLY 14 7.748 -9.863 -0.118 100 H ILE 15 HN ILE 15 8.651 -6.841 0.907 101 HA ILE 15 HA ILE 15 5.894 -5.797 0.926 102 HB ILE 15 HB ILE 15 6.289 -5.111 3.335 103 HG12 ILE 15 HG12 ILE 15 7.933 -6.593 4.558 104 HG13 ILE 15 HG11 ILE 15 8.567 -7.094 2.993 105 HG21 ILE 15 HG21 ILE 15 5.848 -7.483 4.166 106 HG22 ILE 15 HG22 ILE 15 6.080 -8.007 2.497 107 HG23 ILE 15 HG23 ILE 15 4.771 -6.895 2.900 108 HD11 ILE 15 HD11 ILE 15 8.369 -4.156 3.544 109 HD12 ILE 15 HD12 ILE 15 9.551 -5.043 2.582 110 HD13 ILE 15 HD13 ILE 15 9.650 -5.069 4.339 111 H CYS 16 HN CYS 16 5.916 -3.485 1.890 112 HA CYS 16 HA CYS 16 7.890 -1.975 0.358 113 HB2 CYS 16 HB2 CYS 16 5.551 -0.986 2.014 114 HB3 CYS 16 HB1 CYS 16 6.475 -0.053 0.837 115 H THR 17 HN THR 17 9.512 -0.757 1.221 116 HA THR 17 HA THR 17 9.671 -0.567 4.172 117 HB THR 17 HB THR 17 12.099 -0.902 4.012 118 HG1 THR 17 HG1 THR 17 11.474 -0.753 1.338 119 HG21 THR 17 HG21 THR 17 11.960 -3.198 3.963 120 HG22 THR 17 HG22 THR 17 11.001 -3.212 2.482 121 HG23 THR 17 HG23 THR 17 10.238 -2.820 4.024 122 H ILE 18 HN ILE 18 10.845 1.228 4.989 123 HA ILE 18 HA ILE 18 10.387 3.626 3.502 124 HB ILE 18 HB ILE 18 10.335 3.248 6.074 125 HG12 ILE 18 HG12 ILE 18 11.807 5.675 4.999 126 HG13 ILE 18 HG11 ILE 18 10.063 5.451 4.876 127 HG21 ILE 18 HG21 ILE 18 12.360 3.449 7.254 128 HG22 ILE 18 HG22 ILE 18 13.221 4.090 5.854 129 HG23 ILE 18 HG23 ILE 18 12.785 2.382 5.916 130 HD11 ILE 18 HD11 ILE 18 10.926 4.955 7.585 131 HD12 ILE 18 HD12 ILE 18 9.768 6.145 6.991 132 HD13 ILE 18 HD13 ILE 18 11.485 6.540 7.055 133 H THR 19 HN THR 19 11.912 5.117 2.724 134 HA THR 19 HA THR 19 14.721 4.374 2.677 135 HB THR 19 HB THR 19 13.740 3.174 0.732 136 HG1 THR 19 HG1 THR 19 15.797 4.753 0.797 137 HG21 THR 19 HG21 THR 19 12.664 4.337 -1.039 138 HG22 THR 19 HG22 THR 19 13.141 5.909 -0.398 139 HG23 THR 19 HG23 THR 19 11.918 4.951 0.436 140 H LEU 20 HN LEU 20 16.051 6.124 2.357 141 HA LEU 20 HA LEU 20 14.745 8.726 1.862 142 HB2 LEU 20 HB2 LEU 20 16.812 8.077 3.968 143 HB3 LEU 20 HB1 LEU 20 16.239 9.700 3.590 144 HG LEU 20 HG LEU 20 14.480 7.404 4.511 145 HD11 LEU 20 HD11 LEU 20 15.961 8.132 6.311 146 HD12 LEU 20 HD12 LEU 20 14.329 8.718 6.626 147 HD13 LEU 20 HD13 LEU 20 15.554 9.819 5.998 148 HD21 LEU 20 HD21 LEU 20 13.092 9.694 4.993 149 HD22 LEU 20 HD22 LEU 20 12.921 8.754 3.512 150 HD23 LEU 20 HD23 LEU 20 13.973 10.168 3.542 151 H SER 21 HN SER 21 15.921 10.216 0.704 152 HA SER 21 HA SER 21 17.809 9.252 -1.145 153 HB2 SER 21 HB2 SER 21 16.421 11.220 -1.588 154 HB3 SER 21 HB1 SER 21 17.239 12.101 -0.299 155 HG SER 21 HG SER 21 18.720 10.901 -2.368 156 H ARG 22 HN ARG 22 18.228 11.158 1.826 157 HA ARG 22 HA ARG 22 20.156 11.814 2.930 158 HB2 ARG 22 HB2 ARG 22 20.634 8.895 2.320 159 HB3 ARG 22 HB1 ARG 22 21.669 9.837 3.394 160 HG2 ARG 22 HG2 ARG 22 19.737 10.368 4.817 161 HG3 ARG 22 HG1 ARG 22 18.679 9.463 3.734 162 HD2 ARG 22 HD2 ARG 22 19.952 7.408 4.195 163 HD3 ARG 22 HD1 ARG 22 21.028 8.306 5.260 164 HE ARG 22 HE ARG 22 18.382 8.688 6.144 165 HH11 ARG 22 HH11 ARG 22 17.633 7.482 7.919 166 HH12 ARG 22 HH12 ARG 22 18.433 6.011 8.357 167 HH21 ARG 22 HH21 ARG 22 20.783 6.219 5.818 168 HH22 ARG 22 HH22 ARG 22 20.217 5.295 7.168 Start of MODEL 3 1 H GLN 1 HN GLN 1 4.478 -4.476 -5.554 2 HA GLN 1 HA GLN 1 2.025 -4.756 -5.048 3 HB2 GLN 1 HB2 GLN 1 3.021 -4.729 -2.194 4 HB3 GLN 1 HB1 GLN 1 1.369 -4.991 -2.755 5 HG2 GLN 1 HG2 GLN 1 3.741 -6.809 -3.280 6 HG3 GLN 1 HG1 GLN 1 2.410 -7.134 -2.170 7 HE21 GLN 1 HE21 GLN 1 0.125 -6.699 -3.476 8 HE22 GLN 1 HE22 GLN 1 0.046 -7.529 -4.954 9 H TRP 2 HN TRP 2 0.728 -3.025 -3.829 10 HA TRP 2 HA TRP 2 1.753 -0.477 -4.542 11 HB2 TRP 2 HB2 TRP 2 -0.654 -0.978 -4.519 12 HB3 TRP 2 HB1 TRP 2 -0.598 -1.179 -2.767 13 HD1 TRP 2 HD1 TRP 2 -0.376 1.477 -5.497 14 HE1 TRP 2 HE1 TRP 2 -0.659 3.802 -4.419 15 HE3 TRP 2 HE3 TRP 2 -0.304 0.176 -0.559 16 HZ2 TRP 2 HZ2 TRP 2 -0.832 4.957 -1.807 17 HZ3 TRP 2 HZ3 TRP 2 -0.528 1.908 1.200 18 HH2 TRP 2 HH2 TRP 2 -0.789 4.293 0.584 19 H CYS 3 HN CYS 3 2.849 1.010 -3.412 20 HA CYS 3 HA CYS 3 3.324 0.498 -0.532 21 HB2 CYS 3 HB2 CYS 3 5.185 1.753 -2.565 22 HB3 CYS 3 HB1 CYS 3 5.513 1.610 -0.839 23 H GLN 4 HN GLN 4 3.440 2.297 0.835 24 HA GLN 4 HA GLN 4 1.712 4.472 0.151 25 HB2 GLN 4 HB2 GLN 4 3.045 5.180 2.494 26 HB3 GLN 4 HB1 GLN 4 1.496 4.347 2.396 27 HG2 GLN 4 HG2 GLN 4 4.168 2.923 2.363 28 HG3 GLN 4 HG1 GLN 4 3.237 3.205 3.832 29 HE21 GLN 4 HE21 GLN 4 3.813 0.859 1.556 30 HE22 GLN 4 HE22 GLN 4 2.344 0.013 1.647 31 HA PRO 5 HA PRO 5 4.620 7.407 -1.328 32 HB2 PRO 5 HB2 PRO 5 3.956 9.702 0.062 33 HB3 PRO 5 HB1 PRO 5 3.045 9.080 -1.326 34 HG2 PRO 5 HG2 PRO 5 2.470 8.827 1.582 35 HG3 PRO 5 HG1 PRO 5 1.357 9.083 0.227 36 HD2 PRO 5 HD2 PRO 5 1.668 6.653 1.405 37 HD3 PRO 5 HD1 PRO 5 1.291 6.820 -0.322 38 H GLY 6 HN GLY 6 6.712 7.950 -0.881 39 HA2 GLY 6 HA2 GLY 6 8.546 8.641 0.430 40 HA3 GLY 6 HA1 GLY 6 7.561 8.436 1.877 41 H TYR 7 HN TYR 7 6.848 5.763 0.283 42 HA TYR 7 HA TYR 7 9.071 4.204 1.456 43 HB2 TYR 7 HB2 TYR 7 6.142 3.569 1.109 44 HB3 TYR 7 HB1 TYR 7 7.339 2.320 1.428 45 HD1 TYR 7 HD1 TYR 7 6.256 5.677 2.717 46 HD2 TYR 7 HD2 TYR 7 7.845 1.798 3.647 47 HE1 TYR 7 HE1 TYR 7 6.189 6.225 5.136 48 HE2 TYR 7 HE2 TYR 7 7.791 2.346 6.057 49 HH TYR 7 HH TYR 7 6.152 4.242 7.470 50 H ALA 8 HN ALA 8 10.074 2.654 0.240 51 HA ALA 8 HA ALA 8 9.371 2.597 -2.635 52 HB1 ALA 8 HB1 ALA 8 11.989 2.402 -1.175 53 HB2 ALA 8 HB2 ALA 8 11.546 3.449 -2.524 54 HB3 ALA 8 HB3 ALA 8 11.816 1.728 -2.794 55 H TYR 9 HN TYR 9 8.855 0.708 -3.563 56 HA TYR 9 HA TYR 9 8.263 -1.567 -1.997 57 HB2 TYR 9 HB2 TYR 9 7.104 -1.106 -4.107 58 HB3 TYR 9 HB1 TYR 9 8.610 -1.342 -4.996 59 HD1 TYR 9 HD1 TYR 9 6.225 -3.051 -2.685 60 HD2 TYR 9 HD2 TYR 9 9.314 -3.515 -5.642 61 HE1 TYR 9 HE1 TYR 9 5.800 -5.492 -2.748 62 HE2 TYR 9 HE2 TYR 9 8.882 -5.955 -5.701 63 HH TYR 9 HH TYR 9 7.743 -7.642 -4.825 64 H ASN 10 HN ASN 10 9.439 -3.281 -1.414 65 HA ASN 10 HA ASN 10 12.152 -3.533 -2.534 66 HB2 ASN 10 HB2 ASN 10 11.121 -3.679 0.191 67 HB3 ASN 10 HB1 ASN 10 12.145 -5.045 -0.250 68 HD21 ASN 10 HD21 ASN 10 14.348 -4.706 -0.151 69 HD22 ASN 10 HD22 ASN 10 15.089 -3.186 -0.096 70 HA PRO 11 HA PRO 11 10.191 -7.355 -3.994 71 HB2 PRO 11 HB2 PRO 11 12.180 -8.155 -5.695 72 HB3 PRO 11 HB1 PRO 11 10.959 -6.942 -6.117 73 HG2 PRO 11 HG2 PRO 11 13.793 -6.585 -5.356 74 HG3 PRO 11 HG1 PRO 11 12.778 -5.631 -6.450 75 HD2 PRO 11 HD2 PRO 11 13.440 -4.913 -3.843 76 HD3 PRO 11 HD1 PRO 11 12.088 -4.234 -4.770 77 H VAL 12 HN VAL 12 13.483 -7.045 -2.800 78 HA VAL 12 HA VAL 12 14.003 -9.791 -2.335 79 HB VAL 12 HB VAL 12 15.094 -7.285 -1.045 80 HG11 VAL 12 HG11 VAL 12 15.638 -10.195 -0.558 81 HG12 VAL 12 HG12 VAL 12 15.571 -8.864 0.599 82 HG13 VAL 12 HG13 VAL 12 16.972 -9.046 -0.456 83 HG21 VAL 12 HG21 VAL 12 17.077 -7.858 -2.438 84 HG22 VAL 12 HG22 VAL 12 15.641 -7.572 -3.421 85 HG23 VAL 12 HG23 VAL 12 16.183 -9.221 -3.113 86 H LEU 13 HN LEU 13 12.696 -7.217 -0.256 87 HA LEU 13 HA LEU 13 12.255 -9.045 1.950 88 HB2 LEU 13 HB2 LEU 13 11.320 -6.191 1.566 89 HB3 LEU 13 HB1 LEU 13 11.268 -7.102 3.070 90 HG LEU 13 HG LEU 13 13.787 -6.405 1.526 91 HD11 LEU 13 HD11 LEU 13 13.985 -5.228 3.989 92 HD12 LEU 13 HD12 LEU 13 12.258 -5.062 3.667 93 HD13 LEU 13 HD13 LEU 13 13.435 -4.397 2.534 94 HD21 LEU 13 HD21 LEU 13 14.701 -7.140 3.911 95 HD22 LEU 13 HD22 LEU 13 14.378 -8.347 2.667 96 HD23 LEU 13 HD23 LEU 13 13.204 -8.073 3.954 97 H GLY 14 HN GLY 14 10.471 -7.780 -0.751 98 HA2 GLY 14 HA2 GLY 14 8.473 -8.587 -1.638 99 HA3 GLY 14 HA1 GLY 14 8.276 -9.595 -0.209 100 H ILE 15 HN ILE 15 9.003 -6.534 0.838 101 HA ILE 15 HA ILE 15 6.190 -5.654 0.865 102 HB ILE 15 HB ILE 15 6.549 -4.961 3.278 103 HG12 ILE 15 HG12 ILE 15 8.282 -6.354 4.485 104 HG13 ILE 15 HG11 ILE 15 8.941 -6.801 2.915 105 HG21 ILE 15 HG21 ILE 15 6.558 -7.881 2.479 106 HG22 ILE 15 HG22 ILE 15 5.152 -6.852 2.759 107 HG23 ILE 15 HG23 ILE 15 6.189 -7.314 4.108 108 HD11 ILE 15 HD11 ILE 15 9.901 -4.724 4.280 109 HD12 ILE 15 HD12 ILE 15 8.569 -3.886 3.490 110 HD13 ILE 15 HD13 ILE 15 9.802 -4.692 2.523 111 H CYS 16 HN CYS 16 6.074 -3.348 1.837 112 HA CYS 16 HA CYS 16 7.968 -1.716 0.324 113 HB2 CYS 16 HB2 CYS 16 5.563 -0.868 1.962 114 HB3 CYS 16 HB1 CYS 16 6.439 0.115 0.790 115 H THR 17 HN THR 17 9.494 -0.381 1.222 116 HA THR 17 HA THR 17 9.609 -0.234 4.178 117 HB THR 17 HB THR 17 12.055 -0.401 4.044 118 HG1 THR 17 HG1 THR 17 11.531 -0.009 1.447 119 HG21 THR 17 HG21 THR 17 10.350 -2.439 4.025 120 HG22 THR 17 HG22 THR 17 12.090 -2.707 3.910 121 HG23 THR 17 HG23 THR 17 11.094 -2.741 2.455 122 H ILE 18 HN ILE 18 10.659 1.622 5.039 123 HA ILE 18 HA ILE 18 10.084 4.010 3.550 124 HB ILE 18 HB ILE 18 9.916 3.586 6.120 125 HG12 ILE 18 HG12 ILE 18 11.230 6.141 5.139 126 HG13 ILE 18 HG11 ILE 18 9.519 5.772 4.922 127 HG21 ILE 18 HG21 ILE 18 12.726 4.673 6.054 128 HG22 ILE 18 HG22 ILE 18 12.436 2.934 6.085 129 HG23 ILE 18 HG23 ILE 18 11.854 3.948 7.406 130 HD11 ILE 18 HD11 ILE 18 10.995 6.085 7.547 131 HD12 ILE 18 HD12 ILE 18 9.344 5.479 7.418 132 HD13 ILE 18 HD13 ILE 18 9.722 7.125 6.909 133 H THR 19 HN THR 19 11.516 5.524 2.743 134 HA THR 19 HA THR 19 14.385 4.969 2.910 135 HB THR 19 HB THR 19 13.582 3.746 0.913 136 HG1 THR 19 HG1 THR 19 14.871 5.333 -0.572 137 HG21 THR 19 HG21 THR 19 13.030 6.226 -0.580 138 HG22 THR 19 HG22 THR 19 11.824 5.827 0.645 139 HG23 THR 19 HG23 THR 19 12.201 4.671 -0.634 140 H LEU 20 HN LEU 20 15.668 6.782 2.636 141 HA LEU 20 HA LEU 20 14.356 9.307 1.914 142 HB2 LEU 20 HB2 LEU 20 14.922 8.585 4.582 143 HB3 LEU 20 HB1 LEU 20 16.174 9.735 4.123 144 HG LEU 20 HG LEU 20 14.267 10.944 5.046 145 HD11 LEU 20 HD11 LEU 20 15.478 11.451 2.601 146 HD12 LEU 20 HD12 LEU 20 14.504 12.594 3.526 147 HD13 LEU 20 HD13 LEU 20 13.759 11.630 2.250 148 HD21 LEU 20 HD21 LEU 20 12.091 10.512 4.531 149 HD22 LEU 20 HD22 LEU 20 12.714 8.965 3.966 150 HD23 LEU 20 HD23 LEU 20 12.437 10.276 2.820 151 H SER 21 HN SER 21 17.508 8.399 3.310 152 HA SER 21 HA SER 21 18.984 10.116 1.608 153 HB2 SER 21 HB2 SER 21 20.952 9.008 2.518 154 HB3 SER 21 HB1 SER 21 19.794 9.311 3.809 155 HG SER 21 HG SER 21 20.845 7.010 3.088 156 H ARG 22 HN ARG 22 17.759 6.907 1.210 157 HA ARG 22 HA ARG 22 18.821 6.836 -1.508 158 HB2 ARG 22 HB2 ARG 22 20.558 5.713 -0.148 159 HB3 ARG 22 HB1 ARG 22 19.341 4.592 0.461 160 HG2 ARG 22 HG2 ARG 22 18.913 3.778 -1.813 161 HG3 ARG 22 HG1 ARG 22 20.068 4.941 -2.463 162 HD2 ARG 22 HD2 ARG 22 21.876 3.883 -1.174 163 HD3 ARG 22 HD1 ARG 22 20.727 2.734 -0.492 164 HE ARG 22 HE ARG 22 20.568 2.578 -3.298 165 HH11 ARG 22 HH11 ARG 22 21.642 0.887 -4.371 166 HH12 ARG 22 HH12 ARG 22 22.950 0.066 -3.589 167 HH21 ARG 22 HH21 ARG 22 22.761 1.965 -0.693 168 HH22 ARG 22 HH22 ARG 22 23.584 0.675 -1.506 Start of MODEL 4 1 H GLN 1 HN GLN 1 1.919 -4.760 -4.883 2 HA GLN 1 HA GLN 1 -0.564 -4.519 -3.288 3 HB2 GLN 1 HB2 GLN 1 2.215 -4.477 -2.129 4 HB3 GLN 1 HB1 GLN 1 0.687 -4.821 -1.317 5 HG2 GLN 1 HG2 GLN 1 0.461 -6.894 -2.672 6 HG3 GLN 1 HG1 GLN 1 2.030 -6.563 -3.406 7 HE21 GLN 1 HE21 GLN 1 0.458 -7.324 -0.285 8 HE22 GLN 1 HE22 GLN 1 1.867 -7.915 0.456 9 H TRP 2 HN TRP 2 -1.207 -2.543 -2.662 10 HA TRP 2 HA TRP 2 0.010 -0.216 -3.746 11 HB2 TRP 2 HB2 TRP 2 -2.397 -0.341 -3.290 12 HB3 TRP 2 HB1 TRP 2 -2.070 -0.490 -1.563 13 HD1 TRP 2 HD1 TRP 2 -1.892 2.016 -4.445 14 HE1 TRP 2 HE1 TRP 2 -1.706 4.391 -3.461 15 HE3 TRP 2 HE3 TRP 2 -1.334 0.878 0.501 16 HZ2 TRP 2 HZ2 TRP 2 -1.368 5.643 -0.910 17 HZ3 TRP 2 HZ3 TRP 2 -1.083 2.678 2.185 18 HH2 TRP 2 HH2 TRP 2 -1.099 5.058 1.487 19 H CYS 3 HN CYS 3 1.578 1.038 -2.977 20 HA CYS 3 HA CYS 3 2.369 0.737 -0.143 21 HB2 CYS 3 HB2 CYS 3 4.134 1.151 -2.570 22 HB3 CYS 3 HB1 CYS 3 4.716 1.182 -0.899 23 H GLN 4 HN GLN 4 2.306 2.511 1.020 24 HA GLN 4 HA GLN 4 1.257 4.926 0.209 25 HB2 GLN 4 HB2 GLN 4 2.527 5.805 2.324 26 HB3 GLN 4 HB1 GLN 4 1.269 4.591 2.526 27 HG2 GLN 4 HG2 GLN 4 4.117 3.742 2.086 28 HG3 GLN 4 HG1 GLN 4 3.599 4.261 3.687 29 HE21 GLN 4 HE21 GLN 4 4.381 1.504 2.805 30 HE22 GLN 4 HE22 GLN 4 3.034 0.524 3.132 31 HA PRO 5 HA PRO 5 4.497 7.020 -1.922 32 HB2 PRO 5 HB2 PRO 5 4.190 9.613 -1.024 33 HB3 PRO 5 HB1 PRO 5 3.160 8.858 -2.256 34 HG2 PRO 5 HG2 PRO 5 2.651 9.263 0.649 35 HG3 PRO 5 HG1 PRO 5 1.542 9.413 -0.725 36 HD2 PRO 5 HD2 PRO 5 1.535 7.239 0.893 37 HD3 PRO 5 HD1 PRO 5 1.150 7.119 -0.834 38 H GLY 6 HN GLY 6 6.640 7.631 -1.627 39 HA2 GLY 6 HA2 GLY 6 8.530 8.374 -0.414 40 HA3 GLY 6 HA1 GLY 6 7.589 8.270 1.073 41 H TYR 7 HN TYR 7 6.738 5.542 -0.350 42 HA TYR 7 HA TYR 7 8.933 3.979 0.866 43 HB2 TYR 7 HB2 TYR 7 6.004 3.370 0.456 44 HB3 TYR 7 HB1 TYR 7 7.182 2.134 0.863 45 HD1 TYR 7 HD1 TYR 7 6.091 5.544 1.987 46 HD2 TYR 7 HD2 TYR 7 7.596 1.680 3.112 47 HE1 TYR 7 HE1 TYR 7 5.942 6.178 4.380 48 HE2 TYR 7 HE2 TYR 7 7.456 2.320 5.502 49 HH TYR 7 HH TYR 7 5.695 4.530 6.707 50 H ALA 8 HN ALA 8 9.837 2.277 -0.290 51 HA ALA 8 HA ALA 8 9.108 2.134 -3.157 52 HB1 ALA 8 HB1 ALA 8 11.169 3.155 -3.302 53 HB2 ALA 8 HB2 ALA 8 11.659 1.462 -3.312 54 HB3 ALA 8 HB3 ALA 8 11.767 2.402 -1.824 55 H TYR 9 HN TYR 9 8.793 0.174 -3.999 56 HA TYR 9 HA TYR 9 8.430 -2.089 -2.381 57 HB2 TYR 9 HB2 TYR 9 7.307 -1.828 -4.538 58 HB3 TYR 9 HB1 TYR 9 8.860 -1.947 -5.368 59 HD1 TYR 9 HD1 TYR 9 6.518 -3.787 -3.129 60 HD2 TYR 9 HD2 TYR 9 9.851 -4.072 -5.836 61 HE1 TYR 9 HE1 TYR 9 6.332 -6.259 -3.102 62 HE2 TYR 9 HE2 TYR 9 9.657 -6.542 -5.806 63 HH TYR 9 HH TYR 9 7.555 -8.218 -5.296 64 H ASN 10 HN ASN 10 9.729 -3.633 -1.675 65 HA ASN 10 HA ASN 10 12.495 -3.695 -2.687 66 HB2 ASN 10 HB2 ASN 10 11.429 -3.634 -0.011 67 HB3 ASN 10 HB1 ASN 10 12.396 -5.084 -0.264 68 HD21 ASN 10 HD21 ASN 10 14.588 -4.813 0.014 69 HD22 ASN 10 HD22 ASN 10 15.410 -3.339 -0.124 70 HA PRO 11 HA PRO 11 10.923 -7.746 -3.987 71 HB2 PRO 11 HB2 PRO 11 13.085 -8.501 -5.496 72 HB3 PRO 11 HB1 PRO 11 11.795 -7.438 -6.083 73 HG2 PRO 11 HG2 PRO 11 14.534 -6.775 -5.198 74 HG3 PRO 11 HG1 PRO 11 13.505 -5.989 -6.408 75 HD2 PRO 11 HD2 PRO 11 13.957 -5.041 -3.831 76 HD3 PRO 11 HD1 PRO 11 12.606 -4.552 -4.871 77 H VAL 12 HN VAL 12 14.063 -7.099 -2.565 78 HA VAL 12 HA VAL 12 14.774 -9.758 -1.896 79 HB VAL 12 HB VAL 12 15.514 -7.099 -0.660 80 HG11 VAL 12 HG11 VAL 12 17.473 -8.646 0.201 81 HG12 VAL 12 HG12 VAL 12 16.262 -9.917 0.046 82 HG13 VAL 12 HG13 VAL 12 15.966 -8.543 1.109 83 HG21 VAL 12 HG21 VAL 12 17.064 -9.027 -2.418 84 HG22 VAL 12 HG22 VAL 12 17.608 -7.442 -1.869 85 HG23 VAL 12 HG23 VAL 12 16.263 -7.568 -3.002 86 H LEU 13 HN LEU 13 13.047 -7.213 -0.114 87 HA LEU 13 HA LEU 13 12.522 -8.986 2.130 88 HB2 LEU 13 HB2 LEU 13 11.499 -6.192 1.557 89 HB3 LEU 13 HB1 LEU 13 11.342 -7.057 3.083 90 HG LEU 13 HG LEU 13 13.962 -6.295 1.759 91 HD11 LEU 13 HD11 LEU 13 12.215 -4.997 3.785 92 HD12 LEU 13 HD12 LEU 13 13.329 -4.271 2.626 93 HD13 LEU 13 HD13 LEU 13 13.947 -4.986 4.115 94 HD21 LEU 13 HD21 LEU 13 13.224 -7.913 4.175 95 HD22 LEU 13 HD22 LEU 13 14.672 -6.908 4.248 96 HD23 LEU 13 HD23 LEU 13 14.532 -8.163 3.019 97 H GLY 14 HN GLY 14 10.974 -7.950 -0.790 98 HA2 GLY 14 HA2 GLY 14 9.108 -8.884 -1.824 99 HA3 GLY 14 HA1 GLY 14 8.794 -9.814 -0.363 100 H ILE 15 HN ILE 15 9.307 -6.723 0.632 101 HA ILE 15 HA ILE 15 6.519 -5.866 0.239 102 HB ILE 15 HB ILE 15 6.483 -5.160 2.669 103 HG12 ILE 15 HG12 ILE 15 8.027 -6.531 4.146 104 HG13 ILE 15 HG11 ILE 15 8.941 -6.949 2.701 105 HG21 ILE 15 HG21 ILE 15 6.674 -8.091 1.936 106 HG22 ILE 15 HG22 ILE 15 5.225 -7.087 1.939 107 HG23 ILE 15 HG23 ILE 15 6.015 -7.498 3.461 108 HD11 ILE 15 HD11 ILE 15 8.415 -4.047 3.189 109 HD12 ILE 15 HD12 ILE 15 9.826 -4.834 2.486 110 HD13 ILE 15 HD13 ILE 15 9.589 -4.847 4.230 111 H CYS 16 HN CYS 16 6.242 -3.542 1.085 112 HA CYS 16 HA CYS 16 8.401 -1.967 -0.073 113 HB2 CYS 16 HB2 CYS 16 5.631 -1.244 0.893 114 HB3 CYS 16 HB1 CYS 16 6.790 -0.060 0.301 115 H THR 17 HN THR 17 9.656 -0.508 0.975 116 HA THR 17 HA THR 17 9.338 -0.280 3.904 117 HB THR 17 HB THR 17 11.780 -0.371 4.136 118 HG1 THR 17 HG1 THR 17 11.682 0.053 1.539 119 HG21 THR 17 HG21 THR 17 10.093 -2.490 3.706 120 HG22 THR 17 HG22 THR 17 11.767 -2.637 4.241 121 HG23 THR 17 HG23 THR 17 11.370 -2.804 2.530 122 H ILE 18 HN ILE 18 10.255 1.667 4.814 123 HA ILE 18 HA ILE 18 9.729 3.964 3.198 124 HB ILE 18 HB ILE 18 9.463 3.698 5.758 125 HG12 ILE 18 HG12 ILE 18 10.917 6.169 4.770 126 HG13 ILE 18 HG11 ILE 18 9.219 5.843 4.431 127 HG21 ILE 18 HG21 ILE 18 11.945 2.958 5.895 128 HG22 ILE 18 HG22 ILE 18 11.348 4.074 7.123 129 HG23 ILE 18 HG23 ILE 18 12.315 4.679 5.776 130 HD11 ILE 18 HD11 ILE 18 10.456 6.103 7.186 131 HD12 ILE 18 HD12 ILE 18 8.763 5.730 6.862 132 HD13 ILE 18 HD13 ILE 18 9.425 7.296 6.397 133 H THR 19 HN THR 19 11.203 5.619 2.594 134 HA THR 19 HA THR 19 14.026 4.749 2.418 135 HB THR 19 HB THR 19 14.135 5.809 0.206 136 HG1 THR 19 HG1 THR 19 11.349 6.003 0.166 137 HG21 THR 19 HG21 THR 19 11.769 4.138 -0.239 138 HG22 THR 19 HG22 THR 19 12.951 3.392 0.837 139 HG23 THR 19 HG23 THR 19 13.430 3.900 -0.783 140 H LEU 20 HN LEU 20 15.591 6.415 2.459 141 HA LEU 20 HA LEU 20 14.625 9.089 3.230 142 HB2 LEU 20 HB2 LEU 20 15.815 7.187 4.995 143 HB3 LEU 20 HB1 LEU 20 16.981 8.479 4.732 144 HG LEU 20 HG LEU 20 15.531 9.003 6.644 145 HD11 LEU 20 HD11 LEU 20 16.037 10.654 4.426 146 HD12 LEU 20 HD12 LEU 20 15.633 11.171 6.064 147 HD13 LEU 20 HD13 LEU 20 14.357 10.964 4.865 148 HD21 LEU 20 HD21 LEU 20 13.265 8.785 6.622 149 HD22 LEU 20 HD22 LEU 20 13.555 7.738 5.234 150 HD23 LEU 20 HD23 LEU 20 13.122 9.429 4.986 151 H SER 21 HN SER 21 17.120 7.027 1.917 152 HA SER 21 HA SER 21 18.691 7.512 0.286 153 HB2 SER 21 HB2 SER 21 18.550 9.460 -0.918 154 HB3 SER 21 HB1 SER 21 16.972 9.514 -0.138 155 HG SER 21 HG SER 21 19.293 10.981 0.368 156 H ARG 22 HN ARG 22 20.877 8.375 0.213 157 HA ARG 22 HA ARG 22 22.132 8.386 2.748 158 HB2 ARG 22 HB2 ARG 22 24.170 9.082 1.444 159 HB3 ARG 22 HB1 ARG 22 23.370 7.637 0.826 160 HG2 ARG 22 HG2 ARG 22 22.192 9.010 -0.858 161 HG3 ARG 22 HG1 ARG 22 23.010 10.449 -0.250 162 HD2 ARG 22 HD2 ARG 22 24.416 8.011 -1.371 163 HD3 ARG 22 HD1 ARG 22 24.125 9.497 -2.260 164 HE ARG 22 HE ARG 22 25.661 10.627 -0.810 165 HH11 ARG 22 HH11 ARG 22 27.637 10.485 0.268 166 HH12 ARG 22 HH12 ARG 22 28.186 8.960 0.879 167 HH21 ARG 22 HH21 ARG 22 25.414 7.203 -0.216 168 HH22 ARG 22 HH22 ARG 22 26.933 7.114 0.604 Start of MODEL 5 1 H GLN 1 HN GLN 1 1.472 -3.665 -6.509 2 HA GLN 1 HA GLN 1 -0.499 -3.526 -4.301 3 HB2 GLN 1 HB2 GLN 1 2.514 -3.732 -4.071 4 HB3 GLN 1 HB1 GLN 1 1.355 -3.743 -2.742 5 HG2 GLN 1 HG2 GLN 1 1.523 -5.812 -4.953 6 HG3 GLN 1 HG1 GLN 1 2.076 -6.035 -3.294 7 HE21 GLN 1 HE21 GLN 1 0.142 -5.312 -1.642 8 HE22 GLN 1 HE22 GLN 1 -1.357 -6.012 -2.016 9 H TRP 2 HN TRP 2 -0.346 -1.700 -2.883 10 HA TRP 2 HA TRP 2 0.758 0.695 -4.223 11 HB2 TRP 2 HB2 TRP 2 -1.683 0.722 -3.992 12 HB3 TRP 2 HB1 TRP 2 -1.525 0.465 -2.255 13 HD1 TRP 2 HD1 TRP 2 -0.942 3.089 -4.966 14 HE1 TRP 2 HE1 TRP 2 -0.647 5.390 -3.841 15 HE3 TRP 2 HE3 TRP 2 -0.817 1.667 -0.062 16 HZ2 TRP 2 HZ2 TRP 2 -0.394 6.483 -1.209 17 HZ3 TRP 2 HZ3 TRP 2 -0.549 3.355 1.731 18 HH2 TRP 2 HH2 TRP 2 -0.336 5.759 1.164 19 H CYS 3 HN CYS 3 2.432 1.630 -3.284 20 HA CYS 3 HA CYS 3 2.875 1.199 -0.390 21 HB2 CYS 3 HB2 CYS 3 4.899 1.524 -2.622 22 HB3 CYS 3 HB1 CYS 3 5.316 1.456 -0.903 23 H GLN 4 HN GLN 4 2.837 2.929 0.836 24 HA GLN 4 HA GLN 4 2.100 5.458 0.049 25 HB2 GLN 4 HB2 GLN 4 3.241 6.143 2.300 26 HB3 GLN 4 HB1 GLN 4 1.880 5.028 2.341 27 HG2 GLN 4 HG2 GLN 4 4.685 3.973 2.109 28 HG3 GLN 4 HG1 GLN 4 4.064 4.465 3.682 29 HE21 GLN 4 HE21 GLN 4 4.713 1.694 2.735 30 HE22 GLN 4 HE22 GLN 4 3.272 0.812 2.898 31 HA PRO 5 HA PRO 5 5.697 7.315 -1.700 32 HB2 PRO 5 HB2 PRO 5 5.534 9.895 -0.735 33 HB3 PRO 5 HB1 PRO 5 4.559 9.276 -2.080 34 HG2 PRO 5 HG2 PRO 5 3.826 9.635 0.782 35 HG3 PRO 5 HG1 PRO 5 2.862 9.927 -0.678 36 HD2 PRO 5 HD2 PRO 5 2.521 7.714 0.849 37 HD3 PRO 5 HD1 PRO 5 2.282 7.683 -0.905 38 H GLY 6 HN GLY 6 7.847 7.730 -1.190 39 HA2 GLY 6 HA2 GLY 6 9.672 8.260 0.219 40 HA3 GLY 6 HA1 GLY 6 8.589 8.187 1.610 41 H TYR 7 HN TYR 7 7.649 5.597 -0.002 42 HA TYR 7 HA TYR 7 9.585 3.804 1.329 43 HB2 TYR 7 HB2 TYR 7 6.657 3.479 0.664 44 HB3 TYR 7 HB1 TYR 7 7.684 2.125 1.105 45 HD1 TYR 7 HD1 TYR 7 6.784 5.567 2.294 46 HD2 TYR 7 HD2 TYR 7 7.902 1.559 3.358 47 HE1 TYR 7 HE1 TYR 7 6.501 6.124 4.694 48 HE2 TYR 7 HE2 TYR 7 7.628 2.119 5.756 49 HH TYR 7 HH TYR 7 7.751 4.414 7.136 50 H ALA 8 HN ALA 8 10.404 2.039 0.183 51 HA ALA 8 HA ALA 8 9.911 2.068 -2.736 52 HB1 ALA 8 HB1 ALA 8 12.132 3.051 -2.020 53 HB2 ALA 8 HB2 ALA 8 12.233 1.700 -3.150 54 HB3 ALA 8 HB3 ALA 8 12.563 1.444 -1.436 55 H TYR 9 HN TYR 9 9.538 0.170 -3.690 56 HA TYR 9 HA TYR 9 8.852 -2.111 -2.206 57 HB2 TYR 9 HB2 TYR 9 7.958 -1.690 -4.443 58 HB3 TYR 9 HB1 TYR 9 9.566 -1.905 -5.135 59 HD1 TYR 9 HD1 TYR 9 6.885 -3.622 -3.201 60 HD2 TYR 9 HD2 TYR 9 10.441 -4.088 -5.579 61 HE1 TYR 9 HE1 TYR 9 6.513 -6.071 -3.284 62 HE2 TYR 9 HE2 TYR 9 10.059 -6.536 -5.659 63 HH TYR 9 HH TYR 9 7.175 -7.979 -4.879 64 H ASN 10 HN ASN 10 9.954 -3.791 -1.464 65 HA ASN 10 HA ASN 10 12.790 -4.036 -2.226 66 HB2 ASN 10 HB2 ASN 10 11.499 -3.979 0.344 67 HB3 ASN 10 HB1 ASN 10 12.340 -5.510 0.114 68 HD21 ASN 10 HD21 ASN 10 14.517 -5.469 0.590 69 HD22 ASN 10 HD22 ASN 10 15.483 -4.079 0.598 70 HA PRO 11 HA PRO 11 11.036 -7.887 -3.855 71 HB2 PRO 11 HB2 PRO 11 13.274 -8.768 -5.177 72 HB3 PRO 11 HB1 PRO 11 12.137 -7.581 -5.839 73 HG2 PRO 11 HG2 PRO 11 14.817 -7.180 -4.664 74 HG3 PRO 11 HG1 PRO 11 13.978 -6.267 -5.931 75 HD2 PRO 11 HD2 PRO 11 14.246 -5.455 -3.285 76 HD3 PRO 11 HD1 PRO 11 13.045 -4.819 -4.426 77 H VAL 12 HN VAL 12 14.058 -7.571 -2.104 78 HA VAL 12 HA VAL 12 14.471 -10.307 -1.495 79 HB VAL 12 HB VAL 12 15.305 -7.774 -0.070 80 HG11 VAL 12 HG11 VAL 12 15.487 -9.288 1.675 81 HG12 VAL 12 HG12 VAL 12 17.035 -9.559 0.875 82 HG13 VAL 12 HG13 VAL 12 15.693 -10.667 0.595 83 HG21 VAL 12 HG21 VAL 12 16.158 -8.893 -2.453 84 HG22 VAL 12 HG22 VAL 12 17.308 -9.545 -1.286 85 HG23 VAL 12 HG23 VAL 12 17.109 -7.801 -1.445 86 H LEU 13 HN LEU 13 12.791 -7.690 0.225 87 HA LEU 13 HA LEU 13 11.894 -9.497 2.320 88 HB2 LEU 13 HB2 LEU 13 11.185 -6.598 1.795 89 HB3 LEU 13 HB1 LEU 13 10.806 -7.506 3.256 90 HG LEU 13 HG LEU 13 13.598 -6.936 2.217 91 HD11 LEU 13 HD11 LEU 13 12.974 -4.894 3.103 92 HD12 LEU 13 HD12 LEU 13 13.533 -5.696 4.572 93 HD13 LEU 13 HD13 LEU 13 11.809 -5.613 4.214 94 HD21 LEU 13 HD21 LEU 13 14.010 -7.716 4.726 95 HD22 LEU 13 HD22 LEU 13 13.877 -8.902 3.426 96 HD23 LEU 13 HD23 LEU 13 12.493 -8.579 4.470 97 H GLY 14 HN GLY 14 10.739 -8.195 -0.674 98 HA2 GLY 14 HA2 GLY 14 8.904 -8.904 -1.924 99 HA3 GLY 14 HA1 GLY 14 8.371 -9.865 -0.549 100 H ILE 15 HN ILE 15 9.062 -6.883 0.649 101 HA ILE 15 HA ILE 15 6.405 -5.756 0.059 102 HB ILE 15 HB ILE 15 6.221 -5.141 2.506 103 HG12 ILE 15 HG12 ILE 15 7.509 -6.703 4.042 104 HG13 ILE 15 HG11 ILE 15 8.507 -7.139 2.661 105 HG21 ILE 15 HG21 ILE 15 5.460 -7.434 3.153 106 HG22 ILE 15 HG22 ILE 15 6.233 -8.061 1.696 107 HG23 ILE 15 HG23 ILE 15 4.883 -6.933 1.563 108 HD11 ILE 15 HD11 ILE 15 9.580 -5.101 2.622 109 HD12 ILE 15 HD12 ILE 15 9.188 -5.162 4.336 110 HD13 ILE 15 HD13 ILE 15 8.182 -4.223 3.239 111 H CYS 16 HN CYS 16 6.264 -3.450 0.995 112 HA CYS 16 HA CYS 16 8.648 -2.038 0.092 113 HB2 CYS 16 HB2 CYS 16 5.882 -1.091 0.856 114 HB3 CYS 16 HB1 CYS 16 7.191 -0.007 0.403 115 H THR 17 HN THR 17 9.932 -0.749 1.301 116 HA THR 17 HA THR 17 9.382 -0.592 4.202 117 HB THR 17 HB THR 17 11.778 -0.916 4.630 118 HG1 THR 17 HG1 THR 17 12.808 -1.877 2.567 119 HG21 THR 17 HG21 THR 17 11.534 -3.169 4.661 120 HG22 THR 17 HG22 THR 17 11.301 -3.256 2.915 121 HG23 THR 17 HG23 THR 17 9.944 -2.855 3.967 122 H ILE 18 HN ILE 18 10.382 1.228 5.265 123 HA ILE 18 HA ILE 18 10.167 3.623 3.750 124 HB ILE 18 HB ILE 18 9.812 3.235 6.301 125 HG12 ILE 18 HG12 ILE 18 11.411 5.669 5.443 126 HG13 ILE 18 HG11 ILE 18 9.704 5.449 5.063 127 HG21 ILE 18 HG21 ILE 18 12.705 4.078 6.412 128 HG22 ILE 18 HG22 ILE 18 12.264 2.369 6.422 129 HG23 ILE 18 HG23 ILE 18 11.691 3.436 7.706 130 HD11 ILE 18 HD11 ILE 18 10.197 4.938 7.872 131 HD12 ILE 18 HD12 ILE 18 9.086 6.087 7.126 132 HD13 ILE 18 HD13 ILE 18 10.763 6.546 7.418 133 H THR 19 HN THR 19 11.773 5.129 3.194 134 HA THR 19 HA THR 19 14.545 4.112 3.211 135 HB THR 19 HB THR 19 14.848 4.999 0.943 136 HG1 THR 19 HG1 THR 19 13.360 6.175 0.041 137 HG21 THR 19 HG21 THR 19 13.474 2.696 1.665 138 HG22 THR 19 HG22 THR 19 14.147 3.040 0.072 139 HG23 THR 19 HG23 THR 19 12.456 3.409 0.415 140 H LEU 20 HN LEU 20 16.166 5.747 3.141 141 HA LEU 20 HA LEU 20 15.219 8.400 4.050 142 HB2 LEU 20 HB2 LEU 20 16.294 7.140 5.855 143 HB3 LEU 20 HB1 LEU 20 17.718 6.888 4.849 144 HG LEU 20 HG LEU 20 18.094 9.335 4.763 145 HD11 LEU 20 HD11 LEU 20 15.482 9.309 6.226 146 HD12 LEU 20 HD12 LEU 20 16.060 10.424 4.988 147 HD13 LEU 20 HD13 LEU 20 16.656 10.557 6.643 148 HD21 LEU 20 HD21 LEU 20 18.477 9.624 7.301 149 HD22 LEU 20 HD22 LEU 20 19.283 8.269 6.511 150 HD23 LEU 20 HD23 LEU 20 17.818 7.996 7.454 151 H SER 21 HN SER 21 15.725 10.032 2.747 152 HA SER 21 HA SER 21 16.682 11.234 1.038 153 HB2 SER 21 HB2 SER 21 19.155 9.755 1.964 154 HB3 SER 21 HB1 SER 21 19.144 11.183 0.932 155 HG SER 21 HG SER 21 18.299 12.365 2.605 156 H ARG 22 HN ARG 22 15.398 8.835 0.282 157 HA ARG 22 HA ARG 22 15.214 7.351 -1.466 158 HB2 ARG 22 HB2 ARG 22 15.298 9.466 -2.729 159 HB3 ARG 22 HB1 ARG 22 17.058 9.355 -2.790 160 HG2 ARG 22 HG2 ARG 22 16.939 7.295 -4.070 161 HG3 ARG 22 HG1 ARG 22 15.184 7.243 -3.896 162 HD2 ARG 22 HD2 ARG 22 16.686 9.489 -5.263 163 HD3 ARG 22 HD1 ARG 22 15.949 8.135 -6.115 164 HE ARG 22 HE ARG 22 13.974 9.271 -4.493 165 HH11 ARG 22 HH11 ARG 22 12.489 10.742 -5.384 166 HH12 ARG 22 HH12 ARG 22 12.886 11.590 -6.840 167 HH21 ARG 22 HH21 ARG 22 16.005 10.109 -7.166 168 HH22 ARG 22 HH22 ARG 22 14.877 11.233 -7.849 Start of MODEL 6 1 H GLN 1 HN GLN 1 0.110 -4.774 -6.028 2 HA GLN 1 HA GLN 1 -0.944 -3.661 -3.823 3 HB2 GLN 1 HB2 GLN 1 2.041 -3.913 -4.274 4 HB3 GLN 1 HB1 GLN 1 1.233 -3.847 -2.709 5 HG2 GLN 1 HG2 GLN 1 0.820 -5.989 -4.817 6 HG3 GLN 1 HG1 GLN 1 1.761 -6.174 -3.339 7 HE21 GLN 1 HE21 GLN 1 -1.207 -6.930 -4.588 8 HE22 GLN 1 HE22 GLN 1 -2.125 -6.936 -3.159 9 H TRP 2 HN TRP 2 -0.556 -1.830 -2.491 10 HA TRP 2 HA TRP 2 0.422 0.541 -3.971 11 HB2 TRP 2 HB2 TRP 2 -2.005 0.616 -3.614 12 HB3 TRP 2 HB1 TRP 2 -1.758 0.379 -1.884 13 HD1 TRP 2 HD1 TRP 2 -1.278 2.955 -4.659 14 HE1 TRP 2 HE1 TRP 2 -0.885 5.266 -3.585 15 HE3 TRP 2 HE3 TRP 2 -0.912 1.596 0.250 16 HZ2 TRP 2 HZ2 TRP 2 -0.471 6.389 -0.987 17 HZ3 TRP 2 HZ3 TRP 2 -0.518 3.304 2.001 18 HH2 TRP 2 HH2 TRP 2 -0.297 5.696 1.390 19 H CYS 3 HN CYS 3 2.162 1.453 -3.139 20 HA CYS 3 HA CYS 3 2.746 1.063 -0.266 21 HB2 CYS 3 HB2 CYS 3 4.659 1.303 -2.602 22 HB3 CYS 3 HB1 CYS 3 5.164 1.251 -0.908 23 H GLN 4 HN GLN 4 2.791 2.818 0.925 24 HA GLN 4 HA GLN 4 2.070 5.345 0.129 25 HB2 GLN 4 HB2 GLN 4 3.359 6.049 2.299 26 HB3 GLN 4 HB1 GLN 4 1.971 4.975 2.438 27 HG2 GLN 4 HG2 GLN 4 4.727 3.833 2.075 28 HG3 GLN 4 HG1 GLN 4 4.207 4.372 3.670 29 HE21 GLN 4 HE21 GLN 4 4.725 1.566 2.752 30 HE22 GLN 4 HE22 GLN 4 3.272 0.730 3.009 31 HA PRO 5 HA PRO 5 5.598 7.096 -1.854 32 HB2 PRO 5 HB2 PRO 5 5.540 9.697 -0.934 33 HB3 PRO 5 HB1 PRO 5 4.477 9.070 -2.208 34 HG2 PRO 5 HG2 PRO 5 3.917 9.499 0.685 35 HG3 PRO 5 HG1 PRO 5 2.879 9.785 -0.722 36 HD2 PRO 5 HD2 PRO 5 2.580 7.607 0.861 37 HD3 PRO 5 HD1 PRO 5 2.242 7.549 -0.875 38 H GLY 6 HN GLY 6 7.783 7.466 -1.472 39 HA2 GLY 6 HA2 GLY 6 9.695 7.987 -0.184 40 HA3 GLY 6 HA1 GLY 6 8.693 7.977 1.267 41 H TYR 7 HN TYR 7 7.608 5.367 -0.221 42 HA TYR 7 HA TYR 7 9.571 3.565 1.056 43 HB2 TYR 7 HB2 TYR 7 6.610 3.285 0.538 44 HB3 TYR 7 HB1 TYR 7 7.630 1.921 0.962 45 HD1 TYR 7 HD1 TYR 7 6.868 5.410 2.107 46 HD2 TYR 7 HD2 TYR 7 7.935 1.400 3.216 47 HE1 TYR 7 HE1 TYR 7 6.708 6.030 4.504 48 HE2 TYR 7 HE2 TYR 7 7.786 2.022 5.610 49 HH TYR 7 HH TYR 7 6.254 4.236 6.838 50 H ALA 8 HN ALA 8 10.321 1.775 -0.085 51 HA ALA 8 HA ALA 8 9.692 1.742 -2.979 52 HB1 ALA 8 HB1 ALA 8 12.374 1.245 -1.667 53 HB2 ALA 8 HB2 ALA 8 11.924 2.690 -2.574 54 HB3 ALA 8 HB3 ALA 8 12.033 1.133 -3.396 55 H TYR 9 HN TYR 9 9.224 -0.168 -3.867 56 HA TYR 9 HA TYR 9 8.553 -2.396 -2.301 57 HB2 TYR 9 HB2 TYR 9 7.565 -2.004 -4.504 58 HB3 TYR 9 HB1 TYR 9 9.135 -2.273 -5.262 59 HD1 TYR 9 HD1 TYR 9 6.517 -3.885 -3.160 60 HD2 TYR 9 HD2 TYR 9 9.933 -4.483 -5.706 61 HE1 TYR 9 HE1 TYR 9 6.085 -6.326 -3.168 62 HE2 TYR 9 HE2 TYR 9 9.492 -6.922 -5.713 63 HH TYR 9 HH TYR 9 7.422 -8.420 -5.358 64 H ASN 10 HN ASN 10 9.649 -4.085 -1.568 65 HA ASN 10 HA ASN 10 12.439 -4.419 -2.454 66 HB2 ASN 10 HB2 ASN 10 11.271 -4.267 0.173 67 HB3 ASN 10 HB1 ASN 10 12.077 -5.818 -0.056 68 HD21 ASN 10 HD21 ASN 10 14.271 -5.797 0.328 69 HD22 ASN 10 HD22 ASN 10 15.260 -4.426 0.243 70 HA PRO 11 HA PRO 11 10.520 -8.270 -3.888 71 HB2 PRO 11 HB2 PRO 11 12.671 -9.238 -5.293 72 HB3 PRO 11 HB1 PRO 11 11.528 -8.044 -5.932 73 HG2 PRO 11 HG2 PRO 11 14.272 -7.670 -4.908 74 HG3 PRO 11 HG1 PRO 11 13.386 -6.772 -6.153 75 HD2 PRO 11 HD2 PRO 11 13.808 -5.901 -3.543 76 HD3 PRO 11 HD1 PRO 11 12.568 -5.264 -4.640 77 H VAL 12 HN VAL 12 13.632 -7.978 -2.299 78 HA VAL 12 HA VAL 12 14.017 -10.704 -1.636 79 HB VAL 12 HB VAL 12 14.974 -8.152 -0.324 80 HG11 VAL 12 HG11 VAL 12 15.432 -11.050 0.348 81 HG12 VAL 12 HG12 VAL 12 15.130 -9.695 1.435 82 HG13 VAL 12 HG13 VAL 12 16.700 -9.862 0.649 83 HG21 VAL 12 HG21 VAL 12 16.693 -10.145 -1.756 84 HG22 VAL 12 HG22 VAL 12 16.887 -8.398 -1.617 85 HG23 VAL 12 HG23 VAL 12 15.683 -9.067 -2.720 86 H LEU 13 HN LEU 13 12.489 -8.005 0.099 87 HA LEU 13 HA LEU 13 11.664 -9.734 2.287 88 HB2 LEU 13 HB2 LEU 13 10.984 -6.837 1.712 89 HB3 LEU 13 HB1 LEU 13 10.662 -7.695 3.216 90 HG LEU 13 HG LEU 13 13.408 -7.212 2.021 91 HD11 LEU 13 HD11 LEU 13 11.796 -5.847 4.163 92 HD12 LEU 13 HD12 LEU 13 12.752 -5.131 2.865 93 HD13 LEU 13 HD13 LEU 13 13.557 -5.858 4.254 94 HD21 LEU 13 HD21 LEU 13 12.389 -8.765 4.378 95 HD22 LEU 13 HD22 LEU 13 13.934 -7.927 4.529 96 HD23 LEU 13 HD23 LEU 13 13.711 -9.148 3.276 97 H GLY 14 HN GLY 14 10.382 -8.504 -0.684 98 HA2 GLY 14 HA2 GLY 14 8.474 -9.215 -1.817 99 HA3 GLY 14 HA1 GLY 14 7.993 -10.122 -0.387 100 H ILE 15 HN ILE 15 8.799 -7.118 0.678 101 HA ILE 15 HA ILE 15 6.139 -5.955 0.186 102 HB ILE 15 HB ILE 15 6.085 -5.265 2.617 103 HG12 ILE 15 HG12 ILE 15 7.424 -6.798 4.140 104 HG13 ILE 15 HG11 ILE 15 8.344 -7.296 2.726 105 HG21 ILE 15 HG21 ILE 15 6.047 -8.231 2.000 106 HG22 ILE 15 HG22 ILE 15 4.719 -7.105 1.718 107 HG23 ILE 15 HG23 ILE 15 5.245 -7.455 3.364 108 HD11 ILE 15 HD11 ILE 15 9.448 -5.280 2.565 109 HD12 ILE 15 HD12 ILE 15 9.143 -5.280 4.299 110 HD13 ILE 15 HD13 ILE 15 8.098 -4.358 3.223 111 H CYS 16 HN CYS 16 6.090 -3.621 1.064 112 HA CYS 16 HA CYS 16 8.453 -2.285 0.000 113 HB2 CYS 16 HB2 CYS 16 5.746 -1.260 0.874 114 HB3 CYS 16 HB1 CYS 16 7.052 -0.215 0.329 115 H THR 17 HN THR 17 9.819 -0.985 1.114 116 HA THR 17 HA THR 17 9.418 -0.758 4.035 117 HB THR 17 HB THR 17 11.824 -1.125 4.351 118 HG1 THR 17 HG1 THR 17 12.863 -0.618 2.572 119 HG21 THR 17 HG21 THR 17 9.977 -3.033 3.986 120 HG22 THR 17 HG22 THR 17 11.672 -3.419 4.291 121 HG23 THR 17 HG23 THR 17 11.045 -3.438 2.642 122 H ILE 18 HN ILE 18 10.511 1.060 5.011 123 HA ILE 18 HA ILE 18 10.276 3.428 3.446 124 HB ILE 18 HB ILE 18 9.996 3.109 6.014 125 HG12 ILE 18 HG12 ILE 18 11.628 5.482 5.062 126 HG13 ILE 18 HG11 ILE 18 9.907 5.297 4.727 127 HG21 ILE 18 HG21 ILE 18 12.426 2.184 6.087 128 HG22 ILE 18 HG22 ILE 18 11.921 3.296 7.359 129 HG23 ILE 18 HG23 ILE 18 12.910 3.877 6.019 130 HD11 ILE 18 HD11 ILE 18 11.178 5.404 7.477 131 HD12 ILE 18 HD12 ILE 18 9.461 5.153 7.160 132 HD13 ILE 18 HD13 ILE 18 10.223 6.683 6.724 133 H THR 19 HN THR 19 11.912 4.913 2.859 134 HA THR 19 HA THR 19 14.645 3.790 2.739 135 HB THR 19 HB THR 19 14.885 4.737 0.489 136 HG1 THR 19 HG1 THR 19 13.188 6.353 0.938 137 HG21 THR 19 HG21 THR 19 13.442 3.158 -0.691 138 HG22 THR 19 HG22 THR 19 12.406 3.008 0.729 139 HG23 THR 19 HG23 THR 19 14.063 2.405 0.779 140 H LEU 20 HN LEU 20 16.334 5.354 2.661 141 HA LEU 20 HA LEU 20 15.539 8.040 3.617 142 HB2 LEU 20 HB2 LEU 20 16.501 6.709 5.439 143 HB3 LEU 20 HB1 LEU 20 17.926 6.374 4.458 144 HG LEU 20 HG LEU 20 18.449 8.795 4.389 145 HD11 LEU 20 HD11 LEU 20 17.070 10.114 6.226 146 HD12 LEU 20 HD12 LEU 20 15.828 8.920 5.842 147 HD13 LEU 20 HD13 LEU 20 16.456 9.979 4.578 148 HD21 LEU 20 HD21 LEU 20 17.958 7.714 7.181 149 HD22 LEU 20 HD22 LEU 20 19.051 9.037 6.775 150 HD23 LEU 20 HD23 LEU 20 19.387 7.406 6.195 151 H SER 21 HN SER 21 16.167 9.638 2.326 152 HA SER 21 HA SER 21 18.712 9.469 0.904 153 HB2 SER 21 HB2 SER 21 17.132 8.481 -0.686 154 HB3 SER 21 HB1 SER 21 16.078 9.882 -0.531 155 HG SER 21 HG SER 21 18.412 9.555 -1.942 156 H ARG 22 HN ARG 22 19.600 11.464 0.444 157 HA ARG 22 HA ARG 22 17.992 13.853 1.053 158 HB2 ARG 22 HB2 ARG 22 20.465 12.928 2.451 159 HB3 ARG 22 HB1 ARG 22 20.253 14.659 2.183 160 HG2 ARG 22 HG2 ARG 22 17.942 13.100 3.273 161 HG3 ARG 22 HG1 ARG 22 19.274 13.490 4.360 162 HD2 ARG 22 HD2 ARG 22 19.050 15.876 3.786 163 HD3 ARG 22 HD1 ARG 22 17.727 15.495 2.689 164 HE ARG 22 HE ARG 22 17.088 14.465 5.228 165 HH11 ARG 22 HH11 ARG 22 15.668 15.628 6.565 166 HH12 ARG 22 HH12 ARG 22 15.422 17.321 6.293 167 HH21 ARG 22 HH21 ARG 22 17.598 17.474 3.597 168 HH22 ARG 22 HH22 ARG 22 16.516 18.366 4.613 Start of MODEL 7 1 H GLN 1 HN GLN 1 0.498 -3.276 -6.369 2 HA GLN 1 HA GLN 1 0.021 -4.019 -3.767 3 HB2 GLN 1 HB2 GLN 1 2.776 -4.684 -4.636 4 HB3 GLN 1 HB1 GLN 1 2.624 -3.882 -3.072 5 HG2 GLN 1 HG2 GLN 1 0.974 -6.297 -3.846 6 HG3 GLN 1 HG1 GLN 1 2.516 -6.421 -3.001 7 HE21 GLN 1 HE21 GLN 1 2.616 -5.661 -0.772 8 HE22 GLN 1 HE22 GLN 1 1.205 -5.325 0.110 9 H TRP 2 HN TRP 2 -0.816 -1.982 -3.598 10 HA TRP 2 HA TRP 2 0.557 0.389 -4.365 11 HB2 TRP 2 HB2 TRP 2 -1.884 0.309 -4.166 12 HB3 TRP 2 HB1 TRP 2 -1.743 0.005 -2.434 13 HD1 TRP 2 HD1 TRP 2 -1.217 2.736 -5.056 14 HE1 TRP 2 HE1 TRP 2 -1.060 5.012 -3.854 15 HE3 TRP 2 HE3 TRP 2 -1.156 1.166 -0.197 16 HZ2 TRP 2 HZ2 TRP 2 -0.926 6.032 -1.183 17 HZ3 TRP 2 HZ3 TRP 2 -1.016 2.808 1.654 18 HH2 TRP 2 HH2 TRP 2 -0.899 5.236 1.167 19 H CYS 3 HN CYS 3 2.057 1.538 -3.337 20 HA CYS 3 HA CYS 3 2.542 0.988 -0.472 21 HB2 CYS 3 HB2 CYS 3 4.562 1.517 -2.666 22 HB3 CYS 3 HB1 CYS 3 4.967 1.422 -0.946 23 H GLN 4 HN GLN 4 2.477 2.674 0.826 24 HA GLN 4 HA GLN 4 1.551 5.178 0.111 25 HB2 GLN 4 HB2 GLN 4 2.633 5.861 2.385 26 HB3 GLN 4 HB1 GLN 4 1.355 4.653 2.389 27 HG2 GLN 4 HG2 GLN 4 4.225 3.803 2.134 28 HG3 GLN 4 HG1 GLN 4 3.572 4.206 3.718 29 HE21 GLN 4 HE21 GLN 4 4.410 1.513 2.688 30 HE22 GLN 4 HE22 GLN 4 3.033 0.529 2.825 31 HA PRO 5 HA PRO 5 5.032 7.303 -1.565 32 HB2 PRO 5 HB2 PRO 5 4.706 9.839 -0.526 33 HB3 PRO 5 HB1 PRO 5 3.776 9.199 -1.894 34 HG2 PRO 5 HG2 PRO 5 3.010 9.432 0.973 35 HG3 PRO 5 HG1 PRO 5 2.037 9.702 -0.484 36 HD2 PRO 5 HD2 PRO 5 1.831 7.430 0.981 37 HD3 PRO 5 HD1 PRO 5 1.597 7.432 -0.773 38 H GLY 6 HN GLY 6 7.152 7.833 -1.029 39 HA2 GLY 6 HA2 GLY 6 8.935 8.431 0.404 40 HA3 GLY 6 HA1 GLY 6 7.854 8.259 1.785 41 H TYR 7 HN TYR 7 7.078 5.661 0.095 42 HA TYR 7 HA TYR 7 9.109 3.949 1.393 43 HB2 TYR 7 HB2 TYR 7 6.209 3.468 0.704 44 HB3 TYR 7 HB1 TYR 7 7.312 2.172 1.134 45 HD1 TYR 7 HD1 TYR 7 6.226 5.546 2.366 46 HD2 TYR 7 HD2 TYR 7 7.515 1.576 3.379 47 HE1 TYR 7 HE1 TYR 7 5.887 6.048 4.770 48 HE2 TYR 7 HE2 TYR 7 7.187 2.082 5.782 49 HH TYR 7 HH TYR 7 5.558 4.946 6.849 50 H ALA 8 HN ALA 8 10.014 2.246 0.204 51 HA ALA 8 HA ALA 8 9.514 2.319 -2.713 52 HB1 ALA 8 HB1 ALA 8 12.193 1.949 -1.358 53 HB2 ALA 8 HB2 ALA 8 11.647 3.441 -2.121 54 HB3 ALA 8 HB3 ALA 8 11.894 1.992 -3.095 55 H TYR 9 HN TYR 9 9.273 0.421 -3.712 56 HA TYR 9 HA TYR 9 8.731 -1.930 -2.283 57 HB2 TYR 9 HB2 TYR 9 7.826 -1.532 -4.515 58 HB3 TYR 9 HB1 TYR 9 9.450 -1.613 -5.199 59 HD1 TYR 9 HD1 TYR 9 6.926 -3.572 -3.272 60 HD2 TYR 9 HD2 TYR 9 10.450 -3.710 -5.737 61 HE1 TYR 9 HE1 TYR 9 6.734 -6.039 -3.413 62 HE2 TYR 9 HE2 TYR 9 10.248 -6.175 -5.876 63 HH TYR 9 HH TYR 9 7.487 -7.884 -4.450 64 H ASN 10 HN ASN 10 9.937 -3.542 -1.556 65 HA ASN 10 HA ASN 10 12.783 -3.600 -2.317 66 HB2 ASN 10 HB2 ASN 10 11.488 -3.639 0.264 67 HB3 ASN 10 HB1 ASN 10 12.491 -5.070 0.031 68 HD21 ASN 10 HD21 ASN 10 14.652 -4.790 0.494 69 HD22 ASN 10 HD22 ASN 10 15.463 -3.303 0.487 70 HA PRO 11 HA PRO 11 11.276 -7.580 -3.888 71 HB2 PRO 11 HB2 PRO 11 13.556 -8.316 -5.227 72 HB3 PRO 11 HB1 PRO 11 12.331 -7.225 -5.891 73 HG2 PRO 11 HG2 PRO 11 14.991 -6.615 -4.767 74 HG3 PRO 11 HG1 PRO 11 14.064 -5.777 -6.023 75 HD2 PRO 11 HD2 PRO 11 14.322 -4.933 -3.382 76 HD3 PRO 11 HD1 PRO 11 13.070 -4.381 -4.510 77 H VAL 12 HN VAL 12 14.299 -7.027 -2.196 78 HA VAL 12 HA VAL 12 14.913 -9.718 -1.553 79 HB VAL 12 HB VAL 12 15.600 -7.107 -0.189 80 HG11 VAL 12 HG11 VAL 12 17.474 -8.770 0.729 81 HG12 VAL 12 HG12 VAL 12 16.181 -9.952 0.523 82 HG13 VAL 12 HG13 VAL 12 15.942 -8.559 1.577 83 HG21 VAL 12 HG21 VAL 12 17.612 -7.215 -1.387 84 HG22 VAL 12 HG22 VAL 12 16.456 -7.834 -2.564 85 HG23 VAL 12 HG23 VAL 12 17.472 -8.952 -1.655 86 H LEU 13 HN LEU 13 13.084 -7.196 0.159 87 HA LEU 13 HA LEU 13 12.375 -9.027 2.305 88 HB2 LEU 13 HB2 LEU 13 11.443 -6.195 1.763 89 HB3 LEU 13 HB1 LEU 13 11.186 -7.106 3.248 90 HG LEU 13 HG LEU 13 13.890 -6.353 2.103 91 HD11 LEU 13 HD11 LEU 13 12.024 -5.042 3.980 92 HD12 LEU 13 HD12 LEU 13 13.336 -4.348 3.025 93 HD13 LEU 13 HD13 LEU 13 13.688 -5.158 4.552 94 HD21 LEU 13 HD21 LEU 13 14.446 -7.057 4.603 95 HD22 LEU 13 HD22 LEU 13 14.348 -8.273 3.332 96 HD23 LEU 13 HD23 LEU 13 12.985 -8.027 4.422 97 H GLY 14 HN GLY 14 11.087 -7.950 -0.705 98 HA2 GLY 14 HA2 GLY 14 9.304 -8.866 -1.888 99 HA3 GLY 14 HA1 GLY 14 8.834 -9.755 -0.446 100 H ILE 15 HN ILE 15 9.256 -6.640 0.556 101 HA ILE 15 HA ILE 15 6.592 -5.730 -0.264 102 HB ILE 15 HB ILE 15 5.683 -5.554 1.848 103 HG12 ILE 15 HG12 ILE 15 7.415 -4.280 2.979 104 HG13 ILE 15 HG11 ILE 15 7.044 -5.688 3.959 105 HG21 ILE 15 HG21 ILE 15 6.013 -7.684 2.978 106 HG22 ILE 15 HG22 ILE 15 7.560 -7.909 2.161 107 HG23 ILE 15 HG23 ILE 15 6.062 -7.932 1.232 108 HD11 ILE 15 HD11 ILE 15 9.518 -5.054 2.437 109 HD12 ILE 15 HD12 ILE 15 9.021 -6.743 2.472 110 HD13 ILE 15 HD13 ILE 15 9.323 -5.884 3.977 111 H CYS 16 HN CYS 16 6.209 -3.446 0.818 112 HA CYS 16 HA CYS 16 8.510 -1.854 0.005 113 HB2 CYS 16 HB2 CYS 16 5.678 -1.106 0.747 114 HB3 CYS 16 HB1 CYS 16 6.921 0.066 0.327 115 H THR 17 HN THR 17 9.703 -0.548 1.272 116 HA THR 17 HA THR 17 9.080 -0.476 4.161 117 HB THR 17 HB THR 17 11.477 -0.697 4.638 118 HG1 THR 17 HG1 THR 17 11.572 -0.693 1.838 119 HG21 THR 17 HG21 THR 17 11.304 -3.041 2.950 120 HG22 THR 17 HG22 THR 17 9.749 -2.713 3.713 121 HG23 THR 17 HG23 THR 17 11.191 -2.927 4.707 122 H ILE 18 HN ILE 18 9.966 1.377 5.275 123 HA ILE 18 HA ILE 18 9.677 3.783 3.789 124 HB ILE 18 HB ILE 18 9.287 3.344 6.326 125 HG12 ILE 18 HG12 ILE 18 10.798 5.856 5.537 126 HG13 ILE 18 HG11 ILE 18 9.109 5.569 5.120 127 HG21 ILE 18 HG21 ILE 18 12.140 4.305 6.511 128 HG22 ILE 18 HG22 ILE 18 11.769 2.580 6.490 129 HG23 ILE 18 HG23 ILE 18 11.127 3.604 7.774 130 HD11 ILE 18 HD11 ILE 18 10.250 5.655 7.925 131 HD12 ILE 18 HD12 ILE 18 8.568 5.310 7.521 132 HD13 ILE 18 HD13 ILE 18 9.251 6.898 7.173 133 H THR 19 HN THR 19 11.224 5.346 3.243 134 HA THR 19 HA THR 19 14.039 4.449 3.318 135 HB THR 19 HB THR 19 14.347 5.362 1.063 136 HG1 THR 19 HG1 THR 19 12.289 5.822 -0.057 137 HG21 THR 19 HG21 THR 19 13.567 3.480 0.005 138 HG22 THR 19 HG22 THR 19 11.955 3.625 0.707 139 HG23 THR 19 HG23 THR 19 13.281 2.970 1.669 140 H LEU 20 HN LEU 20 15.595 6.129 3.338 141 HA LEU 20 HA LEU 20 14.567 8.827 3.925 142 HB2 LEU 20 HB2 LEU 20 15.756 7.020 5.800 143 HB3 LEU 20 HB1 LEU 20 16.874 8.356 5.531 144 HG LEU 20 HG LEU 20 15.319 8.862 7.376 145 HD11 LEU 20 HD11 LEU 20 15.367 11.020 6.743 146 HD12 LEU 20 HD12 LEU 20 14.159 10.732 5.489 147 HD13 LEU 20 HD13 LEU 20 15.870 10.477 5.143 148 HD21 LEU 20 HD21 LEU 20 13.070 8.541 7.255 149 HD22 LEU 20 HD22 LEU 20 13.462 7.494 5.892 150 HD23 LEU 20 HD23 LEU 20 12.975 9.164 5.607 151 H SER 21 HN SER 21 16.977 6.745 2.599 152 HA SER 21 HA SER 21 18.406 9.100 1.520 153 HB2 SER 21 HB2 SER 21 19.606 6.467 2.402 154 HB3 SER 21 HB1 SER 21 20.484 7.756 1.586 155 HG SER 21 HG SER 21 20.393 7.597 4.051 156 H ARG 22 HN ARG 22 19.173 8.917 -0.605 157 HA ARG 22 HA ARG 22 19.337 8.066 -2.750 158 HB2 ARG 22 HB2 ARG 22 19.489 5.792 -1.333 159 HB3 ARG 22 HB1 ARG 22 17.917 5.536 -2.088 160 HG2 ARG 22 HG2 ARG 22 19.323 4.637 -3.705 161 HG3 ARG 22 HG1 ARG 22 19.189 6.300 -4.277 162 HD2 ARG 22 HD2 ARG 22 21.539 5.582 -4.269 163 HD3 ARG 22 HD1 ARG 22 21.289 6.870 -3.097 164 HE ARG 22 HE ARG 22 21.752 5.349 -1.393 165 HH11 ARG 22 HH11 ARG 22 22.437 3.318 -0.641 166 HH12 ARG 22 HH12 ARG 22 22.427 1.955 -1.709 167 HH21 ARG 22 HH21 ARG 22 21.214 3.751 -4.416 168 HH22 ARG 22 HH22 ARG 22 21.734 2.200 -3.847 Start of MODEL 8 1 H GLN 1 HN GLN 1 0.353 -5.520 -4.860 2 HA GLN 1 HA GLN 1 0.437 -5.266 -2.446 3 HB2 GLN 1 HB2 GLN 1 2.688 -6.402 -2.392 4 HB3 GLN 1 HB1 GLN 1 3.407 -4.864 -2.860 5 HG2 GLN 1 HG2 GLN 1 3.524 -5.117 -0.433 6 HG3 GLN 1 HG1 GLN 1 2.419 -3.808 -0.839 7 HE21 GLN 1 HE21 GLN 1 0.626 -3.885 0.514 8 HE22 GLN 1 HE22 GLN 1 -0.146 -5.306 1.029 9 H TRP 2 HN TRP 2 0.361 -3.269 -1.346 10 HA TRP 2 HA TRP 2 0.747 -0.929 -3.108 11 HB2 TRP 2 HB2 TRP 2 -1.572 -1.315 -2.408 12 HB3 TRP 2 HB1 TRP 2 -1.075 -1.279 -0.716 13 HD1 TRP 2 HD1 TRP 2 -1.544 0.969 -3.759 14 HE1 TRP 2 HE1 TRP 2 -1.527 3.428 -2.988 15 HE3 TRP 2 HE3 TRP 2 -0.214 0.351 1.132 16 HZ2 TRP 2 HZ2 TRP 2 -1.014 4.936 -0.611 17 HZ3 TRP 2 HZ3 TRP 2 0.032 2.314 2.625 18 HH2 TRP 2 HH2 TRP 2 -0.365 4.602 1.761 19 H CYS 3 HN CYS 3 2.184 0.584 -2.566 20 HA CYS 3 HA CYS 3 3.347 0.507 0.157 21 HB2 CYS 3 HB2 CYS 3 4.626 1.384 -2.443 22 HB3 CYS 3 HB1 CYS 3 5.387 1.467 -0.856 23 H GLN 4 HN GLN 4 3.781 2.467 1.181 24 HA GLN 4 HA GLN 4 1.949 4.591 0.635 25 HB2 GLN 4 HB2 GLN 4 3.832 5.574 2.439 26 HB3 GLN 4 HB1 GLN 4 2.310 4.791 2.856 27 HG2 GLN 4 HG2 GLN 4 4.885 3.279 2.359 28 HG3 GLN 4 HG1 GLN 4 4.363 3.804 3.957 29 HE21 GLN 4 HE21 GLN 4 4.341 1.134 1.993 30 HE22 GLN 4 HE22 GLN 4 2.944 0.367 2.578 31 HA PRO 5 HA PRO 5 4.404 7.180 -1.927 32 HB2 PRO 5 HB2 PRO 5 4.117 9.670 -0.765 33 HB3 PRO 5 HB1 PRO 5 2.882 8.896 -1.777 34 HG2 PRO 5 HG2 PRO 5 3.062 9.076 1.188 35 HG3 PRO 5 HG1 PRO 5 1.643 9.184 0.131 36 HD2 PRO 5 HD2 PRO 5 2.233 6.933 1.534 37 HD3 PRO 5 HD1 PRO 5 1.432 6.873 -0.048 38 H GLY 6 HN GLY 6 6.546 7.721 -2.095 39 HA2 GLY 6 HA2 GLY 6 8.649 8.511 -1.385 40 HA3 GLY 6 HA1 GLY 6 8.056 8.540 0.273 41 H TYR 7 HN TYR 7 6.974 5.700 -0.735 42 HA TYR 7 HA TYR 7 9.412 4.234 0.080 43 HB2 TYR 7 HB2 TYR 7 6.485 3.670 0.544 44 HB3 TYR 7 HB1 TYR 7 7.710 2.422 0.716 45 HD1 TYR 7 HD1 TYR 7 7.001 5.948 1.795 46 HD2 TYR 7 HD2 TYR 7 8.761 2.158 2.781 47 HE1 TYR 7 HE1 TYR 7 7.542 6.785 4.067 48 HE2 TYR 7 HE2 TYR 7 9.313 2.994 5.042 49 HH TYR 7 HH TYR 7 8.600 4.702 6.590 50 H ALA 8 HN ALA 8 10.037 2.442 -1.084 51 HA ALA 8 HA ALA 8 8.670 2.046 -3.679 52 HB1 ALA 8 HB1 ALA 8 10.953 1.164 -4.399 53 HB2 ALA 8 HB2 ALA 8 11.580 1.854 -2.903 54 HB3 ALA 8 HB3 ALA 8 10.843 2.901 -4.116 55 H TYR 9 HN TYR 9 7.962 0.052 -4.184 56 HA TYR 9 HA TYR 9 7.776 -1.954 -2.206 57 HB2 TYR 9 HB2 TYR 9 6.136 -1.775 -4.003 58 HB3 TYR 9 HB1 TYR 9 7.377 -2.154 -5.198 59 HD1 TYR 9 HD1 TYR 9 5.735 -3.501 -2.120 60 HD2 TYR 9 HD2 TYR 9 7.863 -4.402 -5.745 61 HE1 TYR 9 HE1 TYR 9 5.343 -5.920 -1.750 62 HE2 TYR 9 HE2 TYR 9 7.465 -6.819 -5.373 63 HH TYR 9 HH TYR 9 5.642 -8.207 -4.067 64 H ASN 10 HN ASN 10 9.076 -3.584 -1.660 65 HA ASN 10 HA ASN 10 11.441 -4.086 -3.345 66 HB2 ASN 10 HB2 ASN 10 11.086 -3.809 -0.453 67 HB3 ASN 10 HB1 ASN 10 12.042 -5.208 -0.938 68 HD21 ASN 10 HD21 ASN 10 14.176 -4.833 -1.516 69 HD22 ASN 10 HD22 ASN 10 14.833 -3.303 -1.820 70 HA PRO 11 HA PRO 11 9.240 -8.046 -3.644 71 HB2 PRO 11 HB2 PRO 11 10.726 -9.130 -5.669 72 HB3 PRO 11 HB1 PRO 11 9.411 -7.974 -5.934 73 HG2 PRO 11 HG2 PRO 11 12.336 -7.559 -6.013 74 HG3 PRO 11 HG1 PRO 11 11.048 -6.760 -6.929 75 HD2 PRO 11 HD2 PRO 11 12.363 -5.677 -4.724 76 HD3 PRO 11 HD1 PRO 11 10.807 -5.112 -5.359 77 H VAL 12 HN VAL 12 12.718 -7.603 -3.438 78 HA VAL 12 HA VAL 12 13.422 -10.248 -2.714 79 HB VAL 12 HB VAL 12 14.756 -7.586 -2.187 80 HG11 VAL 12 HG11 VAL 12 16.772 -9.256 -1.865 81 HG12 VAL 12 HG12 VAL 12 15.499 -10.391 -1.419 82 HG13 VAL 12 HG13 VAL 12 15.704 -8.895 -0.510 83 HG21 VAL 12 HG21 VAL 12 15.697 -9.792 -4.007 84 HG22 VAL 12 HG22 VAL 12 16.056 -8.067 -4.081 85 HG23 VAL 12 HG23 VAL 12 14.464 -8.658 -4.558 86 H LEU 13 HN LEU 13 12.628 -7.365 -0.785 87 HA LEU 13 HA LEU 13 12.880 -8.834 1.706 88 HB2 LEU 13 HB2 LEU 13 11.805 -6.047 1.207 89 HB3 LEU 13 HB1 LEU 13 12.248 -6.733 2.767 90 HG LEU 13 HG LEU 13 14.148 -6.308 0.443 91 HD11 LEU 13 HD11 LEU 13 13.286 -4.630 2.698 92 HD12 LEU 13 HD12 LEU 13 14.123 -4.178 1.214 93 HD13 LEU 13 HD13 LEU 13 15.037 -4.815 2.580 94 HD21 LEU 13 HD21 LEU 13 15.101 -8.087 1.609 95 HD22 LEU 13 HD22 LEU 13 14.387 -7.599 3.144 96 HD23 LEU 13 HD23 LEU 13 15.773 -6.722 2.498 97 H GLY 14 HN GLY 14 10.417 -8.077 -0.590 98 HA2 GLY 14 HA2 GLY 14 8.298 -9.022 -0.752 99 HA3 GLY 14 HA1 GLY 14 8.501 -9.696 0.857 100 H ILE 15 HN ILE 15 9.268 -6.459 1.071 101 HA ILE 15 HA ILE 15 6.481 -5.612 1.470 102 HB ILE 15 HB ILE 15 6.717 -4.995 3.680 103 HG12 ILE 15 HG12 ILE 15 8.697 -3.598 3.552 104 HG13 ILE 15 HG11 ILE 15 8.953 -4.784 4.822 105 HG21 ILE 15 HG21 ILE 15 7.683 -6.882 4.873 106 HG22 ILE 15 HG22 ILE 15 8.646 -7.320 3.461 107 HG23 ILE 15 HG23 ILE 15 6.889 -7.464 3.410 108 HD11 ILE 15 HD11 ILE 15 10.951 -5.037 3.728 109 HD12 ILE 15 HD12 ILE 15 10.291 -4.547 2.171 110 HD13 ILE 15 HD13 ILE 15 9.998 -6.174 2.783 111 H CYS 16 HN CYS 16 6.587 -3.157 2.249 112 HA CYS 16 HA CYS 16 8.004 -1.775 0.101 113 HB2 CYS 16 HB2 CYS 16 6.104 -0.678 2.192 114 HB3 CYS 16 HB1 CYS 16 6.653 0.151 0.736 115 H THR 17 HN THR 17 9.715 -0.409 0.388 116 HA THR 17 HA THR 17 10.606 0.105 3.162 117 HB THR 17 HB THR 17 12.930 -0.186 2.415 118 HG1 THR 17 HG1 THR 17 13.352 -0.865 0.366 119 HG21 THR 17 HG21 THR 17 12.748 -2.355 2.981 120 HG22 THR 17 HG22 THR 17 11.950 -2.738 1.455 121 HG23 THR 17 HG23 THR 17 11.000 -2.181 2.832 122 H ILE 18 HN ILE 18 11.913 1.992 3.446 123 HA ILE 18 HA ILE 18 10.986 4.193 1.825 124 HB ILE 18 HB ILE 18 11.396 4.093 4.408 125 HG12 ILE 18 HG12 ILE 18 12.425 6.488 2.854 126 HG13 ILE 18 HG11 ILE 18 10.715 6.117 3.057 127 HG21 ILE 18 HG21 ILE 18 13.568 4.606 5.169 128 HG22 ILE 18 HG22 ILE 18 14.110 5.104 3.566 129 HG23 ILE 18 HG23 ILE 18 13.846 3.396 3.916 130 HD11 ILE 18 HD11 ILE 18 11.416 7.731 4.756 131 HD12 ILE 18 HD12 ILE 18 12.700 6.643 5.285 132 HD13 ILE 18 HD13 ILE 18 11.012 6.193 5.521 133 H THR 19 HN THR 19 12.179 5.492 0.479 134 HA THR 19 HA THR 19 14.801 4.422 -0.334 135 HB THR 19 HB THR 19 14.393 5.605 -2.459 136 HG1 THR 19 HG1 THR 19 12.567 6.731 -2.756 137 HG21 THR 19 HG21 THR 19 11.955 3.963 -1.791 138 HG22 THR 19 HG22 THR 19 13.552 3.227 -1.925 139 HG23 THR 19 HG23 THR 19 12.837 4.040 -3.316 140 H LEU 20 HN LEU 20 13.767 6.575 1.685 141 HA LEU 20 HA LEU 20 15.615 8.733 0.894 142 HB2 LEU 20 HB2 LEU 20 13.306 9.458 1.293 143 HB3 LEU 20 HB1 LEU 20 13.346 8.744 2.901 144 HG LEU 20 HG LEU 20 15.168 10.291 3.547 145 HD11 LEU 20 HD11 LEU 20 16.390 10.869 1.669 146 HD12 LEU 20 HD12 LEU 20 15.342 12.283 1.778 147 HD13 LEU 20 HD13 LEU 20 14.960 10.986 0.645 148 HD21 LEU 20 HD21 LEU 20 13.790 12.448 3.261 149 HD22 LEU 20 HD22 LEU 20 13.002 11.098 4.079 150 HD23 LEU 20 HD23 LEU 20 12.627 11.446 2.391 151 H SER 21 HN SER 21 17.504 8.854 1.907 152 HA SER 21 HA SER 21 17.722 8.138 4.727 153 HB2 SER 21 HB2 SER 21 18.187 6.014 3.593 154 HB3 SER 21 HB1 SER 21 19.401 6.803 2.589 155 HG SER 21 HG SER 21 20.255 5.730 4.470 156 H ARG 22 HN ARG 22 19.384 9.202 5.772 157 HA ARG 22 HA ARG 22 21.412 10.628 4.263 158 HB2 ARG 22 HB2 ARG 22 19.369 12.112 4.204 159 HB3 ARG 22 HB1 ARG 22 19.484 12.223 5.961 160 HG2 ARG 22 HG2 ARG 22 21.843 13.045 5.692 161 HG3 ARG 22 HG1 ARG 22 21.579 13.086 3.948 162 HD2 ARG 22 HD2 ARG 22 21.154 15.303 4.779 163 HD3 ARG 22 HD1 ARG 22 19.597 14.591 4.372 164 HE ARG 22 HE ARG 22 19.047 14.605 6.638 165 HH11 ARG 22 HH11 ARG 22 19.442 15.176 8.800 166 HH12 ARG 22 HH12 ARG 22 21.041 15.625 9.293 167 HH21 ARG 22 HH21 ARG 22 22.418 15.206 6.139 168 HH22 ARG 22 HH22 ARG 22 22.725 15.643 7.787 Start of MODEL 9 1 H GLN 1 HN GLN 1 2.380 -5.561 -5.842 2 HA GLN 1 HA GLN 1 1.063 -5.051 -4.021 3 HB2 GLN 1 HB2 GLN 1 3.021 -6.330 -2.880 4 HB3 GLN 1 HB1 GLN 1 3.549 -4.732 -2.355 5 HG2 GLN 1 HG2 GLN 1 2.152 -5.651 -0.611 6 HG3 GLN 1 HG1 GLN 1 1.246 -4.365 -1.403 7 HE21 GLN 1 HE21 GLN 1 1.750 -7.919 -1.875 8 HE22 GLN 1 HE22 GLN 1 0.116 -8.246 -2.193 9 H TRP 2 HN TRP 2 0.145 -3.210 -3.253 10 HA TRP 2 HA TRP 2 1.124 -0.707 -4.169 11 HB2 TRP 2 HB2 TRP 2 -1.273 -1.157 -3.858 12 HB3 TRP 2 HB1 TRP 2 -1.022 -1.303 -2.117 13 HD1 TRP 2 HD1 TRP 2 -1.061 1.260 -4.945 14 HE1 TRP 2 HE1 TRP 2 -1.175 3.623 -3.922 15 HE3 TRP 2 HE3 TRP 2 -0.457 0.113 -0.005 16 HZ2 TRP 2 HZ2 TRP 2 -1.027 4.864 -1.347 17 HZ3 TRP 2 HZ3 TRP 2 -0.448 1.903 1.708 18 HH2 TRP 2 HH2 TRP 2 -0.730 4.273 1.045 19 H CYS 3 HN CYS 3 2.361 0.796 -3.218 20 HA CYS 3 HA CYS 3 3.152 0.367 -0.396 21 HB2 CYS 3 HB2 CYS 3 4.792 1.504 -2.673 22 HB3 CYS 3 HB1 CYS 3 5.311 1.430 -0.990 23 H GLN 4 HN GLN 4 3.458 2.203 0.887 24 HA GLN 4 HA GLN 4 1.708 4.397 0.320 25 HB2 GLN 4 HB2 GLN 4 3.291 5.147 2.484 26 HB3 GLN 4 HB1 GLN 4 1.731 4.336 2.579 27 HG2 GLN 4 HG2 GLN 4 4.361 2.864 2.299 28 HG3 GLN 4 HG1 GLN 4 3.610 3.212 3.854 29 HE21 GLN 4 HE21 GLN 4 3.881 0.779 1.611 30 HE22 GLN 4 HE22 GLN 4 2.418 -0.031 1.901 31 HA PRO 5 HA PRO 5 4.531 7.207 -1.537 32 HB2 PRO 5 HB2 PRO 5 4.015 9.572 -0.217 33 HB3 PRO 5 HB1 PRO 5 2.964 8.891 -1.473 34 HG2 PRO 5 HG2 PRO 5 2.681 8.791 1.489 35 HG3 PRO 5 HG1 PRO 5 1.441 9.004 0.242 36 HD2 PRO 5 HD2 PRO 5 1.842 6.626 1.496 37 HD3 PRO 5 HD1 PRO 5 1.287 6.721 -0.186 38 H GLY 6 HN GLY 6 6.663 7.737 -1.289 39 HA2 GLY 6 HA2 GLY 6 8.606 8.460 -0.165 40 HA3 GLY 6 HA1 GLY 6 7.740 8.343 1.365 41 H TYR 7 HN TYR 7 6.870 5.612 -0.045 42 HA TYR 7 HA TYR 7 9.148 4.066 1.032 43 HB2 TYR 7 HB2 TYR 7 6.191 3.478 0.929 44 HB3 TYR 7 HB1 TYR 7 7.384 2.216 1.210 45 HD1 TYR 7 HD1 TYR 7 6.517 5.665 2.417 46 HD2 TYR 7 HD2 TYR 7 7.997 1.762 3.417 47 HE1 TYR 7 HE1 TYR 7 6.648 6.324 4.805 48 HE2 TYR 7 HE2 TYR 7 8.138 2.420 5.799 49 HH TYR 7 HH TYR 7 6.956 5.581 6.901 50 H ALA 8 HN ALA 8 10.013 2.423 -0.185 51 HA ALA 8 HA ALA 8 9.103 2.277 -2.995 52 HB1 ALA 8 HB1 ALA 8 11.402 3.202 -2.594 53 HB2 ALA 8 HB2 ALA 8 11.375 1.761 -3.608 54 HB3 ALA 8 HB3 ALA 8 11.854 1.637 -1.915 55 H TYR 9 HN TYR 9 8.519 0.359 -3.818 56 HA TYR 9 HA TYR 9 8.006 -1.845 -2.132 57 HB2 TYR 9 HB2 TYR 9 6.712 -1.471 -4.161 58 HB3 TYR 9 HB1 TYR 9 8.153 -1.717 -5.150 59 HD1 TYR 9 HD1 TYR 9 6.016 -3.397 -2.578 60 HD2 TYR 9 HD2 TYR 9 8.767 -3.890 -5.846 61 HE1 TYR 9 HE1 TYR 9 5.606 -5.841 -2.555 62 HE2 TYR 9 HE2 TYR 9 8.351 -6.332 -5.820 63 HH TYR 9 HH TYR 9 6.916 -7.947 -5.050 64 H ASN 10 HN ASN 10 9.199 -3.531 -1.537 65 HA ASN 10 HA ASN 10 11.826 -3.894 -2.823 66 HB2 ASN 10 HB2 ASN 10 10.978 -3.875 -0.022 67 HB3 ASN 10 HB1 ASN 10 12.008 -5.237 -0.461 68 HD21 ASN 10 HD21 ASN 10 14.204 -4.836 -0.571 69 HD22 ASN 10 HD22 ASN 10 14.900 -3.297 -0.637 70 HA PRO 11 HA PRO 11 9.728 -7.785 -3.857 71 HB2 PRO 11 HB2 PRO 11 11.580 -8.719 -5.648 72 HB3 PRO 11 HB1 PRO 11 10.324 -7.543 -6.061 73 HG2 PRO 11 HG2 PRO 11 13.207 -7.132 -5.582 74 HG3 PRO 11 HG1 PRO 11 12.089 -6.245 -6.631 75 HD2 PRO 11 HD2 PRO 11 12.995 -5.382 -4.137 76 HD3 PRO 11 HD1 PRO 11 11.581 -4.737 -4.991 77 H VAL 12 HN VAL 12 13.115 -7.428 -2.985 78 HA VAL 12 HA VAL 12 13.664 -10.136 -2.368 79 HB VAL 12 HB VAL 12 14.876 -7.553 -1.366 80 HG11 VAL 12 HG11 VAL 12 15.537 -10.439 -0.797 81 HG12 VAL 12 HG12 VAL 12 15.419 -9.092 0.334 82 HG13 VAL 12 HG13 VAL 12 16.794 -9.203 -0.766 83 HG21 VAL 12 HG21 VAL 12 15.074 -8.256 -3.820 84 HG22 VAL 12 HG22 VAL 12 16.011 -9.636 -3.248 85 HG23 VAL 12 HG23 VAL 12 16.596 -7.995 -2.969 86 H LEU 13 HN LEU 13 12.554 -7.410 -0.369 87 HA LEU 13 HA LEU 13 12.334 -9.069 1.996 88 HB2 LEU 13 HB2 LEU 13 11.349 -6.249 1.500 89 HB3 LEU 13 HB1 LEU 13 11.457 -7.051 3.063 90 HG LEU 13 HG LEU 13 13.803 -6.469 1.230 91 HD11 LEU 13 HD11 LEU 13 14.334 -5.046 3.416 92 HD12 LEU 13 HD12 LEU 13 12.577 -5.053 3.561 93 HD13 LEU 13 HD13 LEU 13 13.340 -4.386 2.118 94 HD21 LEU 13 HD21 LEU 13 14.526 -8.317 2.442 95 HD22 LEU 13 HD22 LEU 13 13.470 -7.964 3.809 96 HD23 LEU 13 HD23 LEU 13 14.944 -7.027 3.569 97 H GLY 14 HN GLY 14 10.304 -8.076 -0.633 98 HA2 GLY 14 HA2 GLY 14 8.266 -9.019 -1.256 99 HA3 GLY 14 HA1 GLY 14 8.181 -9.818 0.305 100 H ILE 15 HN ILE 15 8.861 -6.617 0.934 101 HA ILE 15 HA ILE 15 6.049 -5.771 0.836 102 HB ILE 15 HB ILE 15 5.820 -5.327 3.095 103 HG12 ILE 15 HG12 ILE 15 7.823 -4.033 3.526 104 HG13 ILE 15 HG11 ILE 15 7.767 -5.344 4.698 105 HG21 ILE 15 HG21 ILE 15 6.315 -7.364 4.236 106 HG22 ILE 15 HG22 ILE 15 7.695 -7.696 3.190 107 HG23 ILE 15 HG23 ILE 15 6.054 -7.793 2.546 108 HD11 ILE 15 HD11 ILE 15 9.954 -5.541 4.010 109 HD12 ILE 15 HD12 ILE 15 9.615 -4.965 2.381 110 HD13 ILE 15 HD13 ILE 15 9.186 -6.612 2.842 111 H CYS 16 HN CYS 16 5.974 -3.401 1.840 112 HA CYS 16 HA CYS 16 7.819 -1.857 0.185 113 HB2 CYS 16 HB2 CYS 16 5.522 -0.878 1.900 114 HB3 CYS 16 HB1 CYS 16 6.334 0.005 0.606 115 H THR 17 HN THR 17 9.441 -0.581 0.960 116 HA THR 17 HA THR 17 9.671 -0.285 3.898 117 HB THR 17 HB THR 17 12.104 -0.568 3.679 118 HG1 THR 17 HG1 THR 17 13.016 -0.811 1.777 119 HG21 THR 17 HG21 THR 17 11.827 -2.781 3.985 120 HG22 THR 17 HG22 THR 17 11.331 -3.015 2.309 121 HG23 THR 17 HG23 THR 17 10.140 -2.550 3.524 122 H ILE 18 HN ILE 18 10.811 1.569 4.627 123 HA ILE 18 HA ILE 18 10.254 3.913 3.091 124 HB ILE 18 HB ILE 18 10.318 3.603 5.677 125 HG12 ILE 18 HG12 ILE 18 11.671 6.040 4.475 126 HG13 ILE 18 HG11 ILE 18 9.931 5.764 4.429 127 HG21 ILE 18 HG21 ILE 18 12.381 3.889 6.762 128 HG22 ILE 18 HG22 ILE 18 13.161 4.527 5.314 129 HG23 ILE 18 HG23 ILE 18 12.787 2.807 5.430 130 HD11 ILE 18 HD11 ILE 18 10.507 7.202 6.332 131 HD12 ILE 18 HD12 ILE 18 11.624 5.978 6.936 132 HD13 ILE 18 HD13 ILE 18 9.891 5.651 6.903 133 H THR 19 HN THR 19 11.776 5.490 2.352 134 HA THR 19 HA THR 19 14.505 4.474 1.892 135 HB THR 19 HB THR 19 14.426 5.317 -0.402 136 HG1 THR 19 HG1 THR 19 11.806 5.657 -0.681 137 HG21 THR 19 HG21 THR 19 13.314 3.015 0.459 138 HG22 THR 19 HG22 THR 19 13.363 3.470 -1.244 139 HG23 THR 19 HG23 THR 19 11.902 3.751 -0.297 140 H LEU 20 HN LEU 20 16.097 6.073 1.772 141 HA LEU 20 HA LEU 20 15.259 8.844 2.257 142 HB2 LEU 20 HB2 LEU 20 17.074 7.207 4.019 143 HB3 LEU 20 HB1 LEU 20 17.063 8.968 4.053 144 HG LEU 20 HG LEU 20 14.615 7.228 4.490 145 HD11 LEU 20 HD11 LEU 20 14.866 7.863 6.876 146 HD12 LEU 20 HD12 LEU 20 16.402 8.637 6.490 147 HD13 LEU 20 HD13 LEU 20 16.222 6.892 6.301 148 HD21 LEU 20 HD21 LEU 20 13.581 9.210 4.087 149 HD22 LEU 20 HD22 LEU 20 15.081 10.124 4.211 150 HD23 LEU 20 HD23 LEU 20 14.191 9.691 5.668 151 H SER 21 HN SER 21 16.712 10.399 1.546 152 HA SER 21 HA SER 21 18.397 9.677 -0.608 153 HB2 SER 21 HB2 SER 21 19.052 12.028 -0.630 154 HB3 SER 21 HB1 SER 21 17.314 11.894 -0.381 155 HG SER 21 HG SER 21 19.355 12.505 1.472 156 H ARG 22 HN ARG 22 18.936 9.918 2.802 157 HA ARG 22 HA ARG 22 21.855 9.871 2.449 158 HB2 ARG 22 HB2 ARG 22 20.852 11.442 4.111 159 HB3 ARG 22 HB1 ARG 22 20.244 10.050 5.005 160 HG2 ARG 22 HG2 ARG 22 22.536 9.216 5.303 161 HG3 ARG 22 HG1 ARG 22 23.163 10.579 4.374 162 HD2 ARG 22 HD2 ARG 22 22.211 12.139 6.046 163 HD3 ARG 22 HD1 ARG 22 21.630 10.766 6.983 164 HE ARG 22 HE ARG 22 24.374 11.703 6.802 165 HH11 ARG 22 HH11 ARG 22 25.836 10.642 8.178 166 HH12 ARG 22 HH12 ARG 22 25.368 9.167 8.958 167 HH21 ARG 22 HH21 ARG 22 22.199 9.118 7.554 168 HH22 ARG 22 HH22 ARG 22 23.311 8.305 8.605 Start of MODEL 10 1 H GLN 1 HN GLN 1 0.664 -4.128 -5.807 2 HA GLN 1 HA GLN 1 2.173 -4.757 -3.359 3 HB2 GLN 1 HB2 GLN 1 4.304 -4.622 -4.581 4 HB3 GLN 1 HB1 GLN 1 3.314 -5.955 -5.173 5 HG2 GLN 1 HG2 GLN 1 2.496 -4.473 -7.011 6 HG3 GLN 1 HG1 GLN 1 3.606 -3.223 -6.450 7 HE21 GLN 1 HE21 GLN 1 3.370 -5.581 -8.759 8 HE22 GLN 1 HE22 GLN 1 5.014 -5.948 -8.959 9 H TRP 2 HN TRP 2 0.358 -2.629 -3.936 10 HA TRP 2 HA TRP 2 1.681 -0.248 -4.715 11 HB2 TRP 2 HB2 TRP 2 -0.759 -0.441 -4.703 12 HB3 TRP 2 HB1 TRP 2 -0.746 -0.635 -2.950 13 HD1 TRP 2 HD1 TRP 2 -0.113 1.957 -5.689 14 HE1 TRP 2 HE1 TRP 2 -0.170 4.309 -4.632 15 HE3 TRP 2 HE3 TRP 2 -0.440 0.694 -0.752 16 HZ2 TRP 2 HZ2 TRP 2 -0.338 5.496 -2.034 17 HZ3 TRP 2 HZ3 TRP 2 -0.549 2.453 0.990 18 HH2 TRP 2 HH2 TRP 2 -0.497 4.848 0.358 19 H CYS 3 HN CYS 3 2.918 1.163 -3.623 20 HA CYS 3 HA CYS 3 3.382 0.652 -0.743 21 HB2 CYS 3 HB2 CYS 3 5.285 1.782 -2.811 22 HB3 CYS 3 HB1 CYS 3 5.634 1.623 -1.091 23 H GLN 4 HN GLN 4 3.611 2.438 0.620 24 HA GLN 4 HA GLN 4 2.047 4.736 -0.093 25 HB2 GLN 4 HB2 GLN 4 3.329 5.318 2.307 26 HB3 GLN 4 HB1 GLN 4 1.732 4.596 2.138 27 HG2 GLN 4 HG2 GLN 4 4.302 2.994 2.195 28 HG3 GLN 4 HG1 GLN 4 3.327 3.318 3.626 29 HE21 GLN 4 HE21 GLN 4 3.856 0.958 1.369 30 HE22 GLN 4 HE22 GLN 4 2.331 0.215 1.371 31 HA PRO 5 HA PRO 5 5.231 7.468 -1.391 32 HB2 PRO 5 HB2 PRO 5 4.648 9.796 -0.030 33 HB3 PRO 5 HB1 PRO 5 3.760 9.236 -1.460 34 HG2 PRO 5 HG2 PRO 5 3.043 9.017 1.421 35 HG3 PRO 5 HG1 PRO 5 2.011 9.353 0.020 36 HD2 PRO 5 HD2 PRO 5 2.108 6.903 1.195 37 HD3 PRO 5 HD1 PRO 5 1.812 7.103 -0.543 38 H GLY 6 HN GLY 6 7.325 7.912 -0.818 39 HA2 GLY 6 HA2 GLY 6 9.118 8.467 0.605 40 HA3 GLY 6 HA1 GLY 6 8.042 8.297 1.992 41 H TYR 7 HN TYR 7 7.267 5.703 0.297 42 HA TYR 7 HA TYR 7 9.321 3.987 1.557 43 HB2 TYR 7 HB2 TYR 7 6.380 3.556 1.055 44 HB3 TYR 7 HB1 TYR 7 7.471 2.214 1.376 45 HD1 TYR 7 HD1 TYR 7 6.554 5.592 2.738 46 HD2 TYR 7 HD2 TYR 7 7.860 1.593 3.592 47 HE1 TYR 7 HE1 TYR 7 6.430 6.066 5.170 48 HE2 TYR 7 HE2 TYR 7 7.749 2.066 6.017 49 HH TYR 7 HH TYR 7 6.529 3.646 7.523 50 H ALA 8 HN ALA 8 10.243 2.349 0.369 51 HA ALA 8 HA ALA 8 9.731 2.427 -2.544 52 HB1 ALA 8 HB1 ALA 8 12.079 1.614 -2.763 53 HB2 ALA 8 HB2 ALA 8 12.262 1.780 -1.017 54 HB3 ALA 8 HB3 ALA 8 11.963 3.206 -2.012 55 H TYR 9 HN TYR 9 9.188 0.594 -3.564 56 HA TYR 9 HA TYR 9 8.340 -1.677 -2.119 57 HB2 TYR 9 HB2 TYR 9 7.366 -1.119 -4.275 58 HB3 TYR 9 HB1 TYR 9 8.924 -1.356 -5.068 59 HD1 TYR 9 HD1 TYR 9 6.425 -3.134 -2.921 60 HD2 TYR 9 HD2 TYR 9 9.522 -3.486 -5.883 61 HE1 TYR 9 HE1 TYR 9 5.931 -5.551 -3.154 62 HE2 TYR 9 HE2 TYR 9 9.020 -5.901 -6.112 63 HH TYR 9 HH TYR 9 7.853 -7.717 -4.304 64 H ASN 10 HN ASN 10 9.360 -3.461 -1.478 65 HA ASN 10 HA ASN 10 12.130 -3.879 -2.399 66 HB2 ASN 10 HB2 ASN 10 10.892 -3.974 0.252 67 HB3 ASN 10 HB1 ASN 10 11.918 -5.358 -0.120 68 HD21 ASN 10 HD21 ASN 10 14.141 -5.052 0.018 69 HD22 ASN 10 HD22 ASN 10 14.890 -3.544 0.180 70 HA PRO 11 HA PRO 11 10.039 -7.598 -3.956 71 HB2 PRO 11 HB2 PRO 11 12.069 -8.497 -5.560 72 HB3 PRO 11 HB1 PRO 11 10.921 -7.238 -6.045 73 HG2 PRO 11 HG2 PRO 11 13.732 -6.996 -5.175 74 HG3 PRO 11 HG1 PRO 11 12.796 -5.995 -6.299 75 HD2 PRO 11 HD2 PRO 11 13.397 -5.325 -3.658 76 HD3 PRO 11 HD1 PRO 11 12.129 -4.568 -4.641 77 H VAL 12 HN VAL 12 13.286 -7.428 -2.632 78 HA VAL 12 HA VAL 12 13.667 -10.190 -2.132 79 HB VAL 12 HB VAL 12 14.831 -7.725 -0.827 80 HG11 VAL 12 HG11 VAL 12 15.323 -9.211 0.845 81 HG12 VAL 12 HG12 VAL 12 16.596 -9.703 -0.274 82 HG13 VAL 12 HG13 VAL 12 15.088 -10.616 -0.195 83 HG21 VAL 12 HG21 VAL 12 16.640 -8.023 -2.291 84 HG22 VAL 12 HG22 VAL 12 15.266 -8.450 -3.311 85 HG23 VAL 12 HG23 VAL 12 16.250 -9.718 -2.580 86 H LEU 13 HN LEU 13 12.385 -7.547 -0.121 87 HA LEU 13 HA LEU 13 11.816 -9.360 2.073 88 HB2 LEU 13 HB2 LEU 13 11.008 -6.462 1.704 89 HB3 LEU 13 HB1 LEU 13 10.927 -7.389 3.199 90 HG LEU 13 HG LEU 13 13.464 -6.765 1.661 91 HD11 LEU 13 HD11 LEU 13 12.118 -5.547 4.057 92 HD12 LEU 13 HD12 LEU 13 12.893 -4.747 2.689 93 HD13 LEU 13 HD13 LEU 13 13.877 -5.519 3.932 94 HD21 LEU 13 HD21 LEU 13 13.990 -8.745 2.761 95 HD22 LEU 13 HD22 LEU 13 12.824 -8.459 4.053 96 HD23 LEU 13 HD23 LEU 13 14.351 -7.577 4.033 97 H GLY 14 HN GLY 14 10.205 -8.131 -0.721 98 HA2 GLY 14 HA2 GLY 14 8.221 -8.902 -1.659 99 HA3 GLY 14 HA1 GLY 14 7.901 -9.805 -0.184 100 H ILE 15 HN ILE 15 8.637 -6.684 0.727 101 HA ILE 15 HA ILE 15 5.883 -5.713 0.394 102 HB ILE 15 HB ILE 15 5.432 -5.435 2.636 103 HG12 ILE 15 HG12 ILE 15 7.378 -4.157 3.331 104 HG13 ILE 15 HG11 ILE 15 7.207 -5.523 4.424 105 HG21 ILE 15 HG21 ILE 15 5.668 -7.851 2.039 106 HG22 ILE 15 HG22 ILE 15 5.929 -7.528 3.752 107 HG23 ILE 15 HG23 ILE 15 7.308 -7.813 2.689 108 HD11 ILE 15 HD11 ILE 15 9.312 -4.998 2.385 109 HD12 ILE 15 HD12 ILE 15 8.811 -6.672 2.605 110 HD13 ILE 15 HD13 ILE 15 9.437 -5.756 3.970 111 H CYS 16 HN CYS 16 5.799 -3.400 1.530 112 HA CYS 16 HA CYS 16 7.851 -1.841 0.156 113 HB2 CYS 16 HB2 CYS 16 5.440 -0.870 1.712 114 HB3 CYS 16 HB1 CYS 16 6.406 0.058 0.565 115 H THR 17 HN THR 17 9.452 -0.711 1.171 116 HA THR 17 HA THR 17 9.403 -0.617 4.132 117 HB THR 17 HB THR 17 11.835 -0.979 4.119 118 HG1 THR 17 HG1 THR 17 12.860 -0.803 2.318 119 HG21 THR 17 HG21 THR 17 9.845 -2.867 3.701 120 HG22 THR 17 HG22 THR 17 11.502 -3.210 4.204 121 HG23 THR 17 HG23 THR 17 11.064 -3.285 2.497 122 H ILE 18 HN ILE 18 10.524 1.129 5.100 123 HA ILE 18 HA ILE 18 10.190 3.594 3.702 124 HB ILE 18 HB ILE 18 10.019 3.074 6.257 125 HG12 ILE 18 HG12 ILE 18 11.489 5.572 5.352 126 HG13 ILE 18 HG11 ILE 18 9.755 5.328 5.156 127 HG21 ILE 18 HG21 ILE 18 12.492 2.260 6.154 128 HG22 ILE 18 HG22 ILE 18 11.991 3.249 7.525 129 HG23 ILE 18 HG23 ILE 18 12.893 3.976 6.197 130 HD11 ILE 18 HD11 ILE 18 11.274 5.375 7.778 131 HD12 ILE 18 HD12 ILE 18 9.558 4.997 7.619 132 HD13 ILE 18 HD13 ILE 18 10.150 6.603 7.193 133 H THR 19 HN THR 19 11.816 5.180 3.282 134 HA THR 19 HA THR 19 14.540 4.092 2.919 135 HB THR 19 HB THR 19 14.691 5.287 0.781 136 HG1 THR 19 HG1 THR 19 11.925 5.788 1.095 137 HG21 THR 19 HG21 THR 19 12.149 3.808 0.411 138 HG22 THR 19 HG22 THR 19 13.444 2.918 1.213 139 HG23 THR 19 HG23 THR 19 13.705 3.596 -0.394 140 H LEU 20 HN LEU 20 16.212 5.720 2.859 141 HA LEU 20 HA LEU 20 15.442 8.284 4.110 142 HB2 LEU 20 HB2 LEU 20 17.449 8.126 5.532 143 HB3 LEU 20 HB1 LEU 20 16.329 6.800 5.844 144 HG LEU 20 HG LEU 20 17.940 5.846 3.779 145 HD11 LEU 20 HD11 LEU 20 19.461 7.790 4.238 146 HD12 LEU 20 HD12 LEU 20 20.227 6.225 4.506 147 HD13 LEU 20 HD13 LEU 20 19.672 7.181 5.880 148 HD21 LEU 20 HD21 LEU 20 17.086 4.580 5.719 149 HD22 LEU 20 HD22 LEU 20 18.202 5.442 6.777 150 HD23 LEU 20 HD23 LEU 20 18.825 4.350 5.539 151 H SER 21 HN SER 21 17.237 6.584 1.752 152 HA SER 21 HA SER 21 19.350 8.397 1.275 153 HB2 SER 21 HB2 SER 21 19.362 6.162 0.310 154 HB3 SER 21 HB1 SER 21 17.912 6.524 -0.620 155 HG SER 21 HG SER 21 20.380 7.922 -0.809 156 H ARG 22 HN ARG 22 19.507 10.221 0.052 157 HA ARG 22 HA ARG 22 17.219 11.093 -1.548 158 HB2 ARG 22 HB2 ARG 22 16.884 11.954 0.799 159 HB3 ARG 22 HB1 ARG 22 18.376 12.874 0.605 160 HG2 ARG 22 HG2 ARG 22 17.382 13.942 -1.438 161 HG3 ARG 22 HG1 ARG 22 15.864 13.122 -1.073 162 HD2 ARG 22 HD2 ARG 22 15.722 15.339 -0.142 163 HD3 ARG 22 HD1 ARG 22 15.917 14.214 1.199 164 HE ARG 22 HE ARG 22 18.012 15.145 1.618 165 HH11 ARG 22 HH11 ARG 22 19.626 16.707 1.272 166 HH12 ARG 22 HH12 ARG 22 19.617 17.646 -0.182 167 HH21 ARG 22 HH21 ARG 22 16.773 16.126 -1.460 168 HH22 ARG 22 HH22 ARG 22 18.002 17.318 -1.729 Start of MODEL 11 1 H GLN 1 HN GLN 1 1.139 -4.334 -7.045 2 HA GLN 1 HA GLN 1 1.493 -4.937 -4.285 3 HB2 GLN 1 HB2 GLN 1 3.903 -4.395 -4.106 4 HB3 GLN 1 HB1 GLN 1 3.622 -5.871 -5.029 5 HG2 GLN 1 HG2 GLN 1 5.173 -4.712 -6.360 6 HG3 GLN 1 HG1 GLN 1 3.631 -4.305 -7.108 7 HE21 GLN 1 HE21 GLN 1 4.499 -2.245 -7.906 8 HE22 GLN 1 HE22 GLN 1 4.778 -0.949 -6.846 9 H TRP 2 HN TRP 2 1.457 -3.103 -3.039 10 HA TRP 2 HA TRP 2 1.746 -0.503 -4.393 11 HB2 TRP 2 HB2 TRP 2 -0.649 -1.023 -4.415 12 HB3 TRP 2 HB1 TRP 2 -0.612 -1.312 -2.676 13 HD1 TRP 2 HD1 TRP 2 -0.433 1.478 -5.264 14 HE1 TRP 2 HE1 TRP 2 -0.731 3.744 -4.069 15 HE3 TRP 2 HE3 TRP 2 -0.292 -0.065 -0.400 16 HZ2 TRP 2 HZ2 TRP 2 -0.885 4.766 -1.400 17 HZ3 TRP 2 HZ3 TRP 2 -0.510 1.572 1.448 18 HH2 TRP 2 HH2 TRP 2 -0.805 3.984 0.954 19 H CYS 3 HN CYS 3 2.843 0.948 -3.214 20 HA CYS 3 HA CYS 3 3.204 0.413 -0.325 21 HB2 CYS 3 HB2 CYS 3 5.200 1.590 -2.273 22 HB3 CYS 3 HB1 CYS 3 5.440 1.451 -0.531 23 H GLN 4 HN GLN 4 3.299 2.183 1.042 24 HA GLN 4 HA GLN 4 1.637 4.377 0.360 25 HB2 GLN 4 HB2 GLN 4 2.590 5.238 2.652 26 HB3 GLN 4 HB1 GLN 4 1.544 3.818 2.628 27 HG2 GLN 4 HG2 GLN 4 3.382 2.324 2.795 28 HG3 GLN 4 HG1 GLN 4 4.533 3.586 2.392 29 HE21 GLN 4 HE21 GLN 4 5.364 2.435 4.546 30 HE22 GLN 4 HE22 GLN 4 4.917 3.232 5.981 31 HA PRO 5 HA PRO 5 4.485 7.373 -1.301 32 HB2 PRO 5 HB2 PRO 5 3.679 9.274 0.858 33 HB3 PRO 5 HB1 PRO 5 3.683 9.503 -0.901 34 HG2 PRO 5 HG2 PRO 5 1.416 9.136 0.397 35 HG3 PRO 5 HG1 PRO 5 1.688 8.383 -1.185 36 HD2 PRO 5 HD2 PRO 5 1.757 7.122 1.537 37 HD3 PRO 5 HD1 PRO 5 1.160 6.473 -0.008 38 H GLY 6 HN GLY 6 6.645 7.765 -1.025 39 HA2 GLY 6 HA2 GLY 6 8.625 8.321 0.091 40 HA3 GLY 6 HA1 GLY 6 7.764 8.233 1.622 41 H TYR 7 HN TYR 7 6.984 5.497 -0.083 42 HA TYR 7 HA TYR 7 9.197 3.942 1.129 43 HB2 TYR 7 HB2 TYR 7 6.257 3.308 0.938 44 HB3 TYR 7 HB1 TYR 7 7.466 2.082 1.279 45 HD1 TYR 7 HD1 TYR 7 6.279 5.424 2.466 46 HD2 TYR 7 HD2 TYR 7 8.205 1.733 3.471 47 HE1 TYR 7 HE1 TYR 7 6.325 6.098 4.853 48 HE2 TYR 7 HE2 TYR 7 8.268 2.398 5.849 49 HH TYR 7 HH TYR 7 7.436 3.871 7.364 50 H ALA 8 HN ALA 8 10.080 2.295 -0.061 51 HA ALA 8 HA ALA 8 9.245 2.151 -2.895 52 HB1 ALA 8 HB1 ALA 8 11.947 1.686 -1.609 53 HB2 ALA 8 HB2 ALA 8 11.497 3.016 -2.677 54 HB3 ALA 8 HB3 ALA 8 11.586 1.371 -3.307 55 H TYR 9 HN TYR 9 8.530 0.249 -3.648 56 HA TYR 9 HA TYR 9 8.025 -1.925 -1.915 57 HB2 TYR 9 HB2 TYR 9 6.665 -1.523 -3.904 58 HB3 TYR 9 HB1 TYR 9 8.056 -1.842 -4.940 59 HD1 TYR 9 HD1 TYR 9 5.875 -3.380 -2.330 60 HD2 TYR 9 HD2 TYR 9 8.638 -4.060 -5.554 61 HE1 TYR 9 HE1 TYR 9 5.375 -5.807 -2.247 62 HE2 TYR 9 HE2 TYR 9 8.131 -6.485 -5.468 63 HH TYR 9 HH TYR 9 7.001 -8.092 -4.454 64 H ASN 10 HN ASN 10 9.196 -3.645 -1.361 65 HA ASN 10 HA ASN 10 11.772 -4.061 -2.728 66 HB2 ASN 10 HB2 ASN 10 11.006 -4.037 0.085 67 HB3 ASN 10 HB1 ASN 10 11.932 -5.464 -0.379 68 HD21 ASN 10 HD21 ASN 10 14.147 -5.209 -0.509 69 HD22 ASN 10 HD22 ASN 10 14.943 -3.719 -0.604 70 HA PRO 11 HA PRO 11 9.551 -7.868 -3.802 71 HB2 PRO 11 HB2 PRO 11 11.340 -8.820 -5.643 72 HB3 PRO 11 HB1 PRO 11 10.120 -7.589 -6.008 73 HG2 PRO 11 HG2 PRO 11 13.023 -7.292 -5.549 74 HG3 PRO 11 HG1 PRO 11 11.931 -6.354 -6.581 75 HD2 PRO 11 HD2 PRO 11 12.877 -5.545 -4.089 76 HD3 PRO 11 HD1 PRO 11 11.462 -4.860 -4.912 77 H VAL 12 HN VAL 12 12.947 -7.620 -2.940 78 HA VAL 12 HA VAL 12 13.423 -10.360 -2.390 79 HB VAL 12 HB VAL 12 14.714 -7.835 -1.338 80 HG11 VAL 12 HG11 VAL 12 15.194 -9.444 0.328 81 HG12 VAL 12 HG12 VAL 12 16.582 -9.529 -0.757 82 HG13 VAL 12 HG13 VAL 12 15.315 -10.752 -0.850 83 HG21 VAL 12 HG21 VAL 12 14.826 -8.694 -3.833 84 HG22 VAL 12 HG22 VAL 12 15.962 -9.868 -3.166 85 HG23 VAL 12 HG23 VAL 12 16.294 -8.141 -3.028 86 H LEU 13 HN LEU 13 12.402 -7.642 -0.330 87 HA LEU 13 HA LEU 13 12.120 -9.354 1.994 88 HB2 LEU 13 HB2 LEU 13 11.256 -6.481 1.574 89 HB3 LEU 13 HB1 LEU 13 11.325 -7.326 3.117 90 HG LEU 13 HG LEU 13 13.697 -6.796 1.299 91 HD11 LEU 13 HD11 LEU 13 14.119 -5.563 3.746 92 HD12 LEU 13 HD12 LEU 13 12.410 -5.264 3.438 93 HD13 LEU 13 HD13 LEU 13 13.619 -4.752 2.262 94 HD21 LEU 13 HD21 LEU 13 14.335 -8.710 2.453 95 HD22 LEU 13 HD22 LEU 13 13.302 -8.347 3.837 96 HD23 LEU 13 HD23 LEU 13 14.819 -7.473 3.613 97 H GLY 14 HN GLY 14 10.118 -8.113 -0.568 98 HA2 GLY 14 HA2 GLY 14 8.013 -8.872 -1.218 99 HA3 GLY 14 HA1 GLY 14 7.927 -9.825 0.257 100 H ILE 15 HN ILE 15 8.857 -6.749 1.101 101 HA ILE 15 HA ILE 15 6.086 -5.783 1.394 102 HB ILE 15 HB ILE 15 6.736 -4.989 3.716 103 HG12 ILE 15 HG12 ILE 15 8.556 -6.378 4.788 104 HG13 ILE 15 HG11 ILE 15 9.017 -6.927 3.181 105 HG21 ILE 15 HG21 ILE 15 5.241 -6.872 3.410 106 HG22 ILE 15 HG22 ILE 15 6.373 -7.262 4.704 107 HG23 ILE 15 HG23 ILE 15 6.601 -7.952 3.097 108 HD11 ILE 15 HD11 ILE 15 9.884 -4.869 2.578 109 HD12 ILE 15 HD12 ILE 15 10.191 -4.820 4.311 110 HD13 ILE 15 HD13 ILE 15 8.799 -3.974 3.641 111 H CYS 16 HN CYS 16 6.128 -3.437 2.263 112 HA CYS 16 HA CYS 16 7.872 -1.927 0.473 113 HB2 CYS 16 HB2 CYS 16 5.647 -0.988 2.312 114 HB3 CYS 16 HB1 CYS 16 6.459 -0.015 1.088 115 H THR 17 HN THR 17 9.540 -0.632 1.118 116 HA THR 17 HA THR 17 9.995 -0.329 4.030 117 HB THR 17 HB THR 17 12.405 -0.565 3.616 118 HG1 THR 17 HG1 THR 17 12.721 -0.006 1.561 119 HG21 THR 17 HG21 THR 17 12.372 -2.874 3.624 120 HG22 THR 17 HG22 THR 17 11.218 -2.965 2.293 121 HG23 THR 17 HG23 THR 17 10.660 -2.554 3.914 122 H ILE 18 HN ILE 18 11.042 1.560 4.694 123 HA ILE 18 HA ILE 18 10.374 3.868 3.151 124 HB ILE 18 HB ILE 18 10.528 3.522 5.753 125 HG12 ILE 18 HG12 ILE 18 11.550 6.076 4.470 126 HG13 ILE 18 HG11 ILE 18 9.851 5.619 4.556 127 HG21 ILE 18 HG21 ILE 18 13.046 2.976 5.431 128 HG22 ILE 18 HG22 ILE 18 12.592 4.045 6.759 129 HG23 ILE 18 HG23 ILE 18 13.251 4.721 5.269 130 HD11 ILE 18 HD11 ILE 18 10.982 5.339 7.168 131 HD12 ILE 18 HD12 ILE 18 9.716 6.445 6.635 132 HD13 ILE 18 HD13 ILE 18 11.408 6.934 6.546 133 H THR 19 HN THR 19 11.807 5.469 2.334 134 HA THR 19 HA THR 19 14.577 4.576 1.873 135 HB THR 19 HB THR 19 14.433 5.362 -0.442 136 HG1 THR 19 HG1 THR 19 12.799 6.510 -1.067 137 HG21 THR 19 HG21 THR 19 13.436 3.024 0.513 138 HG22 THR 19 HG22 THR 19 13.517 3.417 -1.205 139 HG23 THR 19 HG23 THR 19 12.013 3.658 -0.316 140 H LEU 20 HN LEU 20 16.086 6.248 1.672 141 HA LEU 20 HA LEU 20 15.118 8.984 2.121 142 HB2 LEU 20 HB2 LEU 20 17.072 7.481 3.854 143 HB3 LEU 20 HB1 LEU 20 16.951 9.237 3.865 144 HG LEU 20 HG LEU 20 14.632 7.353 4.397 145 HD11 LEU 20 HD11 LEU 20 14.929 8.220 6.775 146 HD12 LEU 20 HD12 LEU 20 16.513 8.802 6.262 147 HD13 LEU 20 HD13 LEU 20 16.148 7.077 6.213 148 HD21 LEU 20 HD21 LEU 20 13.929 9.695 5.522 149 HD22 LEU 20 HD22 LEU 20 13.559 9.314 3.843 150 HD23 LEU 20 HD23 LEU 20 14.954 10.318 4.231 151 H SER 21 HN SER 21 16.487 10.600 1.362 152 HA SER 21 HA SER 21 18.128 9.938 -0.842 153 HB2 SER 21 HB2 SER 21 18.704 12.309 -0.882 154 HB3 SER 21 HB1 SER 21 16.980 12.117 -0.577 155 HG SER 21 HG SER 21 18.147 13.619 0.832 156 H ARG 22 HN ARG 22 18.760 10.186 2.547 157 HA ARG 22 HA ARG 22 21.495 10.774 2.581 158 HB2 ARG 22 HB2 ARG 22 20.100 10.663 4.608 159 HB3 ARG 22 HB1 ARG 22 19.957 8.916 4.413 160 HG2 ARG 22 HG2 ARG 22 22.356 8.636 4.694 161 HG3 ARG 22 HG1 ARG 22 22.591 10.383 4.732 162 HD2 ARG 22 HD2 ARG 22 22.602 9.502 7.013 163 HD3 ARG 22 HD1 ARG 22 21.176 10.508 6.768 164 HE ARG 22 HE ARG 22 20.603 7.769 6.194 165 HH11 ARG 22 HH11 ARG 22 19.344 6.636 7.706 166 HH12 ARG 22 HH12 ARG 22 19.167 7.252 9.315 167 HH21 ARG 22 HH21 ARG 22 21.151 10.039 8.747 168 HH22 ARG 22 HH22 ARG 22 20.191 9.179 9.904 Start of MODEL 12 1 H GLN 1 HN GLN 1 2.383 -5.803 -4.173 2 HA GLN 1 HA GLN 1 0.807 -5.204 -2.591 3 HB2 GLN 1 HB2 GLN 1 3.255 -5.115 -0.819 4 HB3 GLN 1 HB1 GLN 1 1.621 -4.793 -0.234 5 HG2 GLN 1 HG2 GLN 1 0.898 -7.017 -1.015 6 HG3 GLN 1 HG1 GLN 1 2.529 -7.342 -1.605 7 HE21 GLN 1 HE21 GLN 1 3.212 -8.966 -0.147 8 HE22 GLN 1 HE22 GLN 1 3.259 -8.759 1.538 9 H TRP 2 HN TRP 2 0.003 -3.283 -1.488 10 HA TRP 2 HA TRP 2 0.713 -0.895 -2.847 11 HB2 TRP 2 HB2 TRP 2 -1.557 -1.320 -1.993 12 HB3 TRP 2 HB1 TRP 2 -0.946 -1.256 -0.340 13 HD1 TRP 2 HD1 TRP 2 -1.655 0.949 -3.370 14 HE1 TRP 2 HE1 TRP 2 -1.616 3.419 -2.630 15 HE3 TRP 2 HE3 TRP 2 0.017 0.409 1.425 16 HZ2 TRP 2 HZ2 TRP 2 -0.962 4.961 -0.312 17 HZ3 TRP 2 HZ3 TRP 2 0.337 2.392 2.875 18 HH2 TRP 2 HH2 TRP 2 -0.146 4.665 2.016 19 H CYS 3 HN CYS 3 2.110 0.682 -2.353 20 HA CYS 3 HA CYS 3 3.450 0.585 0.288 21 HB2 CYS 3 HB2 CYS 3 4.593 1.443 -2.382 22 HB3 CYS 3 HB1 CYS 3 5.435 1.541 -0.837 23 H GLN 4 HN GLN 4 3.963 2.562 1.259 24 HA GLN 4 HA GLN 4 2.098 4.682 0.802 25 HB2 GLN 4 HB2 GLN 4 4.085 5.682 2.481 26 HB3 GLN 4 HB1 GLN 4 2.591 4.902 2.997 27 HG2 GLN 4 HG2 GLN 4 5.132 3.387 2.360 28 HG3 GLN 4 HG1 GLN 4 4.712 3.931 3.982 29 HE21 GLN 4 HE21 GLN 4 4.563 1.238 2.051 30 HE22 GLN 4 HE22 GLN 4 3.205 0.479 2.731 31 HA PRO 5 HA PRO 5 4.411 7.233 -1.927 32 HB2 PRO 5 HB2 PRO 5 4.177 9.740 -0.792 33 HB3 PRO 5 HB1 PRO 5 2.890 8.946 -1.718 34 HG2 PRO 5 HG2 PRO 5 3.238 9.171 1.228 35 HG3 PRO 5 HG1 PRO 5 1.761 9.264 0.254 36 HD2 PRO 5 HD2 PRO 5 2.436 7.033 1.653 37 HD3 PRO 5 HD1 PRO 5 1.544 6.950 0.122 38 H GLY 6 HN GLY 6 6.539 7.774 -2.214 39 HA2 GLY 6 HA2 GLY 6 8.674 8.576 -1.630 40 HA3 GLY 6 HA1 GLY 6 8.168 8.638 0.057 41 H TYR 7 HN TYR 7 7.041 5.776 -0.848 42 HA TYR 7 HA TYR 7 9.523 4.329 -0.134 43 HB2 TYR 7 HB2 TYR 7 6.628 3.774 0.506 44 HB3 TYR 7 HB1 TYR 7 7.864 2.531 0.639 45 HD1 TYR 7 HD1 TYR 7 7.212 6.081 1.669 46 HD2 TYR 7 HD2 TYR 7 9.021 2.316 2.655 47 HE1 TYR 7 HE1 TYR 7 7.872 6.976 3.886 48 HE2 TYR 7 HE2 TYR 7 9.692 3.209 4.862 49 HH TYR 7 HH TYR 7 8.842 6.539 5.829 50 H ALA 8 HN ALA 8 10.096 2.527 -1.305 51 HA ALA 8 HA ALA 8 8.578 2.074 -3.805 52 HB1 ALA 8 HB1 ALA 8 10.734 2.929 -4.359 53 HB2 ALA 8 HB2 ALA 8 10.802 1.194 -4.657 54 HB3 ALA 8 HB3 ALA 8 11.529 1.866 -3.199 55 H TYR 9 HN TYR 9 7.847 0.073 -4.236 56 HA TYR 9 HA TYR 9 7.763 -1.898 -2.218 57 HB2 TYR 9 HB2 TYR 9 6.036 -1.750 -3.935 58 HB3 TYR 9 HB1 TYR 9 7.217 -2.156 -5.181 59 HD1 TYR 9 HD1 TYR 9 5.739 -3.439 -1.990 60 HD2 TYR 9 HD2 TYR 9 7.656 -4.414 -5.715 61 HE1 TYR 9 HE1 TYR 9 5.356 -5.851 -1.559 62 HE2 TYR 9 HE2 TYR 9 7.268 -6.822 -5.279 63 HH TYR 9 HH TYR 9 5.358 -8.126 -3.716 64 H ASN 10 HN ASN 10 9.077 -3.524 -1.709 65 HA ASN 10 HA ASN 10 11.354 -4.075 -3.497 66 HB2 ASN 10 HB2 ASN 10 11.155 -3.707 -0.602 67 HB3 ASN 10 HB1 ASN 10 12.072 -5.132 -1.088 68 HD21 ASN 10 HD21 ASN 10 14.178 -4.797 -1.777 69 HD22 ASN 10 HD22 ASN 10 14.830 -3.285 -2.172 70 HA PRO 11 HA PRO 11 9.125 -8.030 -3.567 71 HB2 PRO 11 HB2 PRO 11 10.505 -9.180 -5.632 72 HB3 PRO 11 HB1 PRO 11 9.177 -8.029 -5.863 73 HG2 PRO 11 HG2 PRO 11 12.092 -7.624 -6.112 74 HG3 PRO 11 HG1 PRO 11 10.756 -6.846 -6.976 75 HD2 PRO 11 HD2 PRO 11 12.196 -5.708 -4.877 76 HD3 PRO 11 HD1 PRO 11 10.611 -5.152 -5.443 77 H VAL 12 HN VAL 12 12.610 -7.604 -3.551 78 HA VAL 12 HA VAL 12 13.338 -10.233 -2.790 79 HB VAL 12 HB VAL 12 14.707 -7.565 -2.402 80 HG11 VAL 12 HG11 VAL 12 16.705 -9.353 -2.190 81 HG12 VAL 12 HG12 VAL 12 15.404 -10.314 -1.486 82 HG13 VAL 12 HG13 VAL 12 15.828 -8.753 -0.782 83 HG21 VAL 12 HG21 VAL 12 15.421 -9.864 -4.237 84 HG22 VAL 12 HG22 VAL 12 16.002 -8.200 -4.306 85 HG23 VAL 12 HG23 VAL 12 14.331 -8.568 -4.734 86 H LEU 13 HN LEU 13 12.661 -7.291 -0.903 87 HA LEU 13 HA LEU 13 13.033 -8.687 1.612 88 HB2 LEU 13 HB2 LEU 13 11.925 -5.917 1.086 89 HB3 LEU 13 HB1 LEU 13 12.441 -6.559 2.643 90 HG LEU 13 HG LEU 13 14.230 -6.194 0.223 91 HD11 LEU 13 HD11 LEU 13 15.281 -4.580 2.080 92 HD12 LEU 13 HD12 LEU 13 13.602 -4.523 2.613 93 HD13 LEU 13 HD13 LEU 13 14.024 -4.028 0.974 94 HD21 LEU 13 HD21 LEU 13 14.598 -7.404 2.947 95 HD22 LEU 13 HD22 LEU 13 15.949 -6.542 2.212 96 HD23 LEU 13 HD23 LEU 13 15.243 -7.935 1.395 97 H GLY 14 HN GLY 14 10.456 -7.993 -0.578 98 HA2 GLY 14 HA2 GLY 14 8.333 -8.945 -0.604 99 HA3 GLY 14 HA1 GLY 14 8.618 -9.569 1.013 100 H ILE 15 HN ILE 15 9.399 -6.330 1.081 101 HA ILE 15 HA ILE 15 6.638 -5.456 1.587 102 HB ILE 15 HB ILE 15 6.965 -4.790 3.768 103 HG12 ILE 15 HG12 ILE 15 8.943 -3.403 3.527 104 HG13 ILE 15 HG11 ILE 15 9.248 -4.560 4.813 105 HG21 ILE 15 HG21 ILE 15 7.130 -7.269 3.536 106 HG22 ILE 15 HG22 ILE 15 7.961 -6.652 4.964 107 HG23 ILE 15 HG23 ILE 15 8.888 -7.119 3.538 108 HD11 ILE 15 HD11 ILE 15 10.482 -4.383 2.109 109 HD12 ILE 15 HD12 ILE 15 10.200 -5.996 2.758 110 HD13 ILE 15 HD13 ILE 15 11.196 -4.852 3.649 111 H CYS 16 HN CYS 16 6.787 -2.986 2.295 112 HA CYS 16 HA CYS 16 8.131 -1.670 0.061 113 HB2 CYS 16 HB2 CYS 16 6.308 -0.494 2.175 114 HB3 CYS 16 HB1 CYS 16 6.795 0.268 0.663 115 H THR 17 HN THR 17 9.866 -0.321 0.250 116 HA THR 17 HA THR 17 10.843 0.279 2.980 117 HB THR 17 HB THR 17 13.138 -0.051 2.174 118 HG1 THR 17 HG1 THR 17 12.485 0.388 -0.069 119 HG21 THR 17 HG21 THR 17 11.228 -2.017 2.717 120 HG22 THR 17 HG22 THR 17 12.980 -2.217 2.762 121 HG23 THR 17 HG23 THR 17 12.085 -2.612 1.295 122 H ILE 18 HN ILE 18 12.148 2.173 3.172 123 HA ILE 18 HA ILE 18 11.183 4.329 1.522 124 HB ILE 18 HB ILE 18 11.719 4.301 4.086 125 HG12 ILE 18 HG12 ILE 18 12.685 6.639 2.411 126 HG13 ILE 18 HG11 ILE 18 10.985 6.290 2.711 127 HG21 ILE 18 HG21 ILE 18 14.393 5.264 3.083 128 HG22 ILE 18 HG22 ILE 18 14.134 3.569 3.495 129 HG23 ILE 18 HG23 ILE 18 13.926 4.816 4.723 130 HD11 ILE 18 HD11 ILE 18 12.729 7.764 4.364 131 HD12 ILE 18 HD12 ILE 18 12.451 6.235 5.197 132 HD13 ILE 18 HD13 ILE 18 11.085 7.250 4.738 133 H THR 19 HN THR 19 12.331 5.583 0.089 134 HA THR 19 HA THR 19 14.887 4.443 -0.828 135 HB THR 19 HB THR 19 14.410 5.607 -2.946 136 HG1 THR 19 HG1 THR 19 12.707 6.905 -1.409 137 HG21 THR 19 HG21 THR 19 13.080 3.363 -1.864 138 HG22 THR 19 HG22 THR 19 13.319 3.742 -3.570 139 HG23 THR 19 HG23 THR 19 11.858 4.282 -2.743 140 H LEU 20 HN LEU 20 13.996 6.660 1.200 141 HA LEU 20 HA LEU 20 15.898 8.733 0.306 142 HB2 LEU 20 HB2 LEU 20 13.625 9.556 0.736 143 HB3 LEU 20 HB1 LEU 20 13.678 8.884 2.363 144 HG LEU 20 HG LEU 20 15.574 10.375 2.920 145 HD11 LEU 20 HD11 LEU 20 15.802 12.308 1.108 146 HD12 LEU 20 HD12 LEU 20 15.306 11.022 0.008 147 HD13 LEU 20 HD13 LEU 20 16.763 10.835 0.982 148 HD21 LEU 20 HD21 LEU 20 13.298 11.929 1.661 149 HD22 LEU 20 HD22 LEU 20 14.307 12.433 3.015 150 HD23 LEU 20 HD23 LEU 20 13.174 11.095 3.209 151 H SER 21 HN SER 21 17.816 8.788 1.272 152 HA SER 21 HA SER 21 18.491 7.062 3.436 153 HB2 SER 21 HB2 SER 21 19.991 9.396 2.229 154 HB3 SER 21 HB1 SER 21 20.671 8.255 3.385 155 HG SER 21 HG SER 21 20.479 6.643 1.905 156 H ARG 22 HN ARG 22 19.001 7.557 5.577 157 HA ARG 22 HA ARG 22 18.674 10.240 6.604 158 HB2 ARG 22 HB2 ARG 22 16.316 9.374 6.373 159 HB3 ARG 22 HB1 ARG 22 16.730 8.122 7.545 160 HG2 ARG 22 HG2 ARG 22 17.341 9.854 9.191 161 HG3 ARG 22 HG1 ARG 22 16.933 11.111 8.022 162 HD2 ARG 22 HD2 ARG 22 15.008 9.036 9.105 163 HD3 ARG 22 HD1 ARG 22 15.084 10.717 9.612 164 HE ARG 22 HE ARG 22 14.265 11.372 7.459 165 HH11 ARG 22 HH11 ARG 22 12.802 10.895 5.809 166 HH12 ARG 22 HH12 ARG 22 12.392 9.248 5.461 167 HH21 ARG 22 HH21 ARG 22 14.438 7.921 7.915 168 HH22 ARG 22 HH22 ARG 22 13.311 7.577 6.650 Start of MODEL 13 1 H GLN 1 HN GLN 1 0.070 -4.428 -6.303 2 HA GLN 1 HA GLN 1 1.924 -4.758 -4.380 3 HB2 GLN 1 HB2 GLN 1 3.627 -5.623 -5.751 4 HB3 GLN 1 HB1 GLN 1 3.303 -4.465 -7.041 5 HG2 GLN 1 HG2 GLN 1 4.137 -3.424 -4.358 6 HG3 GLN 1 HG1 GLN 1 5.363 -4.125 -5.411 7 HE21 GLN 1 HE21 GLN 1 4.583 -1.191 -4.594 8 HE22 GLN 1 HE22 GLN 1 4.573 -0.382 -6.086 9 H TRP 2 HN TRP 2 1.486 -2.979 -3.257 10 HA TRP 2 HA TRP 2 1.734 -0.364 -4.583 11 HB2 TRP 2 HB2 TRP 2 -0.663 -0.903 -4.588 12 HB3 TRP 2 HB1 TRP 2 -0.607 -1.188 -2.848 13 HD1 TRP 2 HD1 TRP 2 -0.432 1.601 -5.444 14 HE1 TRP 2 HE1 TRP 2 -0.742 3.867 -4.256 15 HE3 TRP 2 HE3 TRP 2 -0.320 0.064 -0.575 16 HZ2 TRP 2 HZ2 TRP 2 -0.914 4.893 -1.589 17 HZ3 TRP 2 HZ3 TRP 2 -0.557 1.706 1.265 18 HH2 TRP 2 HH2 TRP 2 -0.851 4.114 0.767 19 H CYS 3 HN CYS 3 2.838 1.069 -3.400 20 HA CYS 3 HA CYS 3 3.262 0.484 -0.527 21 HB2 CYS 3 HB2 CYS 3 5.173 1.767 -2.496 22 HB3 CYS 3 HB1 CYS 3 5.467 1.581 -0.768 23 H GLN 4 HN GLN 4 3.309 2.238 0.888 24 HA GLN 4 HA GLN 4 1.627 4.438 0.217 25 HB2 GLN 4 HB2 GLN 4 2.818 5.180 2.563 26 HB3 GLN 4 HB1 GLN 4 1.412 4.126 2.463 27 HG2 GLN 4 HG2 GLN 4 4.211 3.021 2.305 28 HG3 GLN 4 HG1 GLN 4 3.439 3.325 3.858 29 HE21 GLN 4 HE21 GLN 4 4.159 0.685 2.567 30 HE22 GLN 4 HE22 GLN 4 2.701 -0.183 2.506 31 HA PRO 5 HA PRO 5 4.563 7.344 -1.282 32 HB2 PRO 5 HB2 PRO 5 3.873 9.657 0.076 33 HB3 PRO 5 HB1 PRO 5 3.004 9.029 -1.337 34 HG2 PRO 5 HG2 PRO 5 2.338 8.797 1.553 35 HG3 PRO 5 HG1 PRO 5 1.269 9.045 0.162 36 HD2 PRO 5 HD2 PRO 5 1.527 6.626 1.362 37 HD3 PRO 5 HD1 PRO 5 1.227 6.777 -0.378 38 H GLY 6 HN GLY 6 6.642 7.940 -0.808 39 HA2 GLY 6 HA2 GLY 6 8.443 8.659 0.534 40 HA3 GLY 6 HA1 GLY 6 7.445 8.420 1.966 41 H TYR 7 HN TYR 7 6.833 5.750 0.293 42 HA TYR 7 HA TYR 7 9.074 4.226 1.483 43 HB2 TYR 7 HB2 TYR 7 6.160 3.529 1.131 44 HB3 TYR 7 HB1 TYR 7 7.384 2.312 1.464 45 HD1 TYR 7 HD1 TYR 7 6.157 5.625 2.735 46 HD2 TYR 7 HD2 TYR 7 7.939 1.837 3.681 47 HE1 TYR 7 HE1 TYR 7 6.072 6.184 5.150 48 HE2 TYR 7 HE2 TYR 7 7.869 2.396 6.089 49 HH TYR 7 HH TYR 7 7.388 3.953 7.601 50 H ALA 8 HN ALA 8 10.050 2.628 0.270 51 HA ALA 8 HA ALA 8 9.355 2.598 -2.607 52 HB1 ALA 8 HB1 ALA 8 12.023 2.041 -1.286 53 HB2 ALA 8 HB2 ALA 8 11.586 3.536 -2.111 54 HB3 ALA 8 HB3 ALA 8 11.704 2.029 -3.019 55 H TYR 9 HN TYR 9 8.844 0.699 -3.539 56 HA TYR 9 HA TYR 9 8.253 -1.567 -1.963 57 HB2 TYR 9 HB2 TYR 9 7.094 -1.134 -4.069 58 HB3 TYR 9 HB1 TYR 9 8.602 -1.351 -4.959 59 HD1 TYR 9 HD1 TYR 9 6.287 -3.099 -2.600 60 HD2 TYR 9 HD2 TYR 9 9.284 -3.505 -5.656 61 HE1 TYR 9 HE1 TYR 9 5.889 -5.544 -2.667 62 HE2 TYR 9 HE2 TYR 9 8.880 -5.949 -5.721 63 HH TYR 9 HH TYR 9 7.844 -7.694 -3.747 64 H ASN 10 HN ASN 10 9.424 -3.270 -1.354 65 HA ASN 10 HA ASN 10 12.146 -3.536 -2.454 66 HB2 ASN 10 HB2 ASN 10 11.088 -3.656 0.273 67 HB3 ASN 10 HB1 ASN 10 12.183 -4.972 -0.141 68 HD21 ASN 10 HD21 ASN 10 14.380 -4.511 -0.135 69 HD22 ASN 10 HD22 ASN 10 15.030 -2.952 -0.056 70 HA PRO 11 HA PRO 11 10.219 -7.426 -3.792 71 HB2 PRO 11 HB2 PRO 11 12.183 -8.219 -5.523 72 HB3 PRO 11 HB1 PRO 11 10.932 -7.039 -5.945 73 HG2 PRO 11 HG2 PRO 11 13.774 -6.613 -5.256 74 HG3 PRO 11 HG1 PRO 11 12.716 -5.699 -6.345 75 HD2 PRO 11 HD2 PRO 11 13.426 -4.924 -3.763 76 HD3 PRO 11 HD1 PRO 11 12.051 -4.278 -4.678 77 H VAL 12 HN VAL 12 13.522 -6.990 -2.690 78 HA VAL 12 HA VAL 12 14.147 -9.702 -2.167 79 HB VAL 12 HB VAL 12 15.190 -7.124 -0.982 80 HG11 VAL 12 HG11 VAL 12 17.137 -8.952 -0.511 81 HG12 VAL 12 HG12 VAL 12 15.710 -9.967 -0.306 82 HG13 VAL 12 HG13 VAL 12 15.911 -8.520 0.682 83 HG21 VAL 12 HG21 VAL 12 16.974 -8.806 -2.569 84 HG22 VAL 12 HG22 VAL 12 16.592 -7.095 -2.757 85 HG23 VAL 12 HG23 VAL 12 15.544 -8.317 -3.479 86 H LEU 13 HN LEU 13 12.782 -7.120 -0.134 87 HA LEU 13 HA LEU 13 12.483 -8.920 2.126 88 HB2 LEU 13 HB2 LEU 13 11.457 -6.093 1.756 89 HB3 LEU 13 HB1 LEU 13 11.532 -6.989 3.271 90 HG LEU 13 HG LEU 13 13.923 -6.233 1.567 91 HD11 LEU 13 HD11 LEU 13 14.211 -5.049 4.034 92 HD12 LEU 13 HD12 LEU 13 12.476 -4.898 3.753 93 HD13 LEU 13 HD13 LEU 13 13.619 -4.232 2.586 94 HD21 LEU 13 HD21 LEU 13 14.632 -8.155 2.677 95 HD22 LEU 13 HD22 LEU 13 13.546 -7.892 4.042 96 HD23 LEU 13 HD23 LEU 13 15.014 -6.927 3.883 97 H GLY 14 HN GLY 14 10.621 -7.858 -0.580 98 HA2 GLY 14 HA2 GLY 14 8.640 -8.783 -1.377 99 HA3 GLY 14 HA1 GLY 14 8.471 -9.663 0.133 100 H ILE 15 HN ILE 15 9.056 -6.487 0.945 101 HA ILE 15 HA ILE 15 6.230 -5.698 0.757 102 HB ILE 15 HB ILE 15 5.900 -5.390 3.017 103 HG12 ILE 15 HG12 ILE 15 7.799 -3.979 3.563 104 HG13 ILE 15 HG11 ILE 15 7.783 -5.325 4.693 105 HG21 ILE 15 HG21 ILE 15 7.924 -7.642 3.027 106 HG22 ILE 15 HG22 ILE 15 6.266 -7.803 2.446 107 HG23 ILE 15 HG23 ILE 15 6.574 -7.420 4.140 108 HD11 ILE 15 HD11 ILE 15 9.992 -5.428 4.100 109 HD12 ILE 15 HD12 ILE 15 9.718 -4.717 2.513 110 HD13 ILE 15 HD13 ILE 15 9.341 -6.415 2.796 111 H CYS 16 HN CYS 16 6.089 -3.364 1.887 112 HA CYS 16 HA CYS 16 7.950 -1.719 0.341 113 HB2 CYS 16 HB2 CYS 16 5.544 -0.888 1.984 114 HB3 CYS 16 HB1 CYS 16 6.411 0.104 0.815 115 H THR 17 HN THR 17 9.521 -0.458 1.233 116 HA THR 17 HA THR 17 9.614 -0.262 4.185 117 HB THR 17 HB THR 17 12.058 -0.491 4.063 118 HG1 THR 17 HG1 THR 17 11.475 -0.840 1.320 119 HG21 THR 17 HG21 THR 17 10.125 -2.498 3.725 120 HG22 THR 17 HG22 THR 17 11.770 -2.703 4.326 121 HG23 THR 17 HG23 THR 17 11.427 -2.912 2.609 122 H ILE 18 HN ILE 18 10.639 1.579 5.038 123 HA ILE 18 HA ILE 18 10.125 3.965 3.557 124 HB ILE 18 HB ILE 18 10.057 3.509 6.141 125 HG12 ILE 18 HG12 ILE 18 11.259 6.089 5.086 126 HG13 ILE 18 HG11 ILE 18 9.548 5.681 4.979 127 HG21 ILE 18 HG21 ILE 18 12.583 2.909 5.998 128 HG22 ILE 18 HG22 ILE 18 12.040 3.920 7.339 129 HG23 ILE 18 HG23 ILE 18 12.838 4.653 5.947 130 HD11 ILE 18 HD11 ILE 18 9.213 6.366 7.088 131 HD12 ILE 18 HD12 ILE 18 10.900 6.872 7.168 132 HD13 ILE 18 HD13 ILE 18 10.442 5.245 7.674 133 H THR 19 HN THR 19 11.638 5.605 2.993 134 HA THR 19 HA THR 19 14.414 4.654 2.617 135 HB THR 19 HB THR 19 14.442 5.724 0.418 136 HG1 THR 19 HG1 THR 19 12.769 6.852 -0.297 137 HG21 THR 19 HG21 THR 19 13.500 3.925 -0.617 138 HG22 THR 19 HG22 THR 19 11.946 4.154 0.185 139 HG23 THR 19 HG23 THR 19 13.265 3.346 1.032 140 H LEU 20 HN LEU 20 15.999 6.357 2.446 141 HA LEU 20 HA LEU 20 15.120 8.980 3.457 142 HB2 LEU 20 HB2 LEU 20 15.907 7.678 5.389 143 HB3 LEU 20 HB1 LEU 20 17.428 7.354 4.562 144 HG LEU 20 HG LEU 20 17.914 9.785 4.509 145 HD11 LEU 20 HD11 LEU 20 15.147 9.880 5.637 146 HD12 LEU 20 HD12 LEU 20 15.934 10.976 4.503 147 HD13 LEU 20 HD13 LEU 20 16.313 11.065 6.224 148 HD21 LEU 20 HD21 LEU 20 18.052 10.080 7.055 149 HD22 LEU 20 HD22 LEU 20 18.829 8.644 6.388 150 HD23 LEU 20 HD23 LEU 20 17.254 8.512 7.171 151 H SER 21 HN SER 21 18.437 7.876 3.175 152 HA SER 21 HA SER 21 19.201 10.056 1.540 153 HB2 SER 21 HB2 SER 21 21.360 8.935 1.386 154 HB3 SER 21 HB1 SER 21 20.754 8.832 3.037 155 HG SER 21 HG SER 21 19.939 6.792 1.382 156 H ARG 22 HN ARG 22 17.908 6.928 0.831 157 HA ARG 22 HA ARG 22 17.492 7.545 -1.907 158 HB2 ARG 22 HB2 ARG 22 18.991 5.881 -2.922 159 HB3 ARG 22 HB1 ARG 22 19.909 7.117 -2.064 160 HG2 ARG 22 HG2 ARG 22 20.071 5.606 -0.098 161 HG3 ARG 22 HG1 ARG 22 19.211 4.360 -1.004 162 HD2 ARG 22 HD2 ARG 22 20.989 4.364 -2.710 163 HD3 ARG 22 HD1 ARG 22 21.849 5.614 -1.815 164 HE ARG 22 HE ARG 22 21.382 3.422 -0.096 165 HH11 ARG 22 HH11 ARG 22 23.090 1.983 0.320 166 HH12 ARG 22 HH12 ARG 22 24.432 1.904 -0.771 167 HH21 ARG 22 HH21 ARG 22 23.179 4.325 -2.913 168 HH22 ARG 22 HH22 ARG 22 24.484 3.229 -2.601 Start of MODEL 14 1 H GLN 1 HN GLN 1 2.372 -5.091 -6.231 2 HA GLN 1 HA GLN 1 1.085 -4.989 -4.258 3 HB2 GLN 1 HB2 GLN 1 2.809 -6.351 -3.084 4 HB3 GLN 1 HB1 GLN 1 3.734 -4.876 -2.800 5 HG2 GLN 1 HG2 GLN 1 1.886 -3.916 -1.528 6 HG3 GLN 1 HG1 GLN 1 0.885 -5.326 -1.872 7 HE21 GLN 1 HE21 GLN 1 1.160 -4.913 0.779 8 HE22 GLN 1 HE22 GLN 1 2.303 -5.959 1.471 9 H TRP 2 HN TRP 2 0.160 -3.149 -3.521 10 HA TRP 2 HA TRP 2 1.185 -0.635 -4.361 11 HB2 TRP 2 HB2 TRP 2 -1.225 -1.078 -4.145 12 HB3 TRP 2 HB1 TRP 2 -1.038 -1.255 -2.400 13 HD1 TRP 2 HD1 TRP 2 -0.954 1.354 -5.184 14 HE1 TRP 2 HE1 TRP 2 -1.101 3.701 -4.128 15 HE3 TRP 2 HE3 TRP 2 -0.563 0.125 -0.243 16 HZ2 TRP 2 HZ2 TRP 2 -1.057 4.900 -1.530 17 HZ3 TRP 2 HZ3 TRP 2 -0.618 1.888 1.498 18 HH2 TRP 2 HH2 TRP 2 -0.863 4.269 0.863 19 H CYS 3 HN CYS 3 2.422 0.822 -3.345 20 HA CYS 3 HA CYS 3 3.091 0.345 -0.499 21 HB2 CYS 3 HB2 CYS 3 4.830 1.517 -2.684 22 HB3 CYS 3 HB1 CYS 3 5.279 1.397 -0.985 23 H GLN 4 HN GLN 4 3.333 2.160 0.827 24 HA GLN 4 HA GLN 4 1.616 4.365 0.217 25 HB2 GLN 4 HB2 GLN 4 3.115 5.089 2.449 26 HB3 GLN 4 HB1 GLN 4 1.550 4.282 2.472 27 HG2 GLN 4 HG2 GLN 4 4.186 2.806 2.285 28 HG3 GLN 4 HG1 GLN 4 3.370 3.137 3.809 29 HE21 GLN 4 HE21 GLN 4 3.742 0.727 1.565 30 HE22 GLN 4 HE22 GLN 4 2.266 -0.084 1.775 31 HA PRO 5 HA PRO 5 4.499 7.198 -1.502 32 HB2 PRO 5 HB2 PRO 5 3.933 9.548 -0.171 33 HB3 PRO 5 HB1 PRO 5 2.929 8.882 -1.474 34 HG2 PRO 5 HG2 PRO 5 2.541 8.746 1.474 35 HG3 PRO 5 HG1 PRO 5 1.345 8.972 0.185 36 HD2 PRO 5 HD2 PRO 5 1.704 6.578 1.425 37 HD3 PRO 5 HD1 PRO 5 1.209 6.695 -0.275 38 H GLY 6 HN GLY 6 6.621 7.734 -1.170 39 HA2 GLY 6 HA2 GLY 6 8.520 8.438 0.031 40 HA3 GLY 6 HA1 GLY 6 7.602 8.295 1.528 41 H TYR 7 HN TYR 7 6.788 5.586 0.038 42 HA TYR 7 HA TYR 7 9.029 4.025 1.174 43 HB2 TYR 7 HB2 TYR 7 6.078 3.434 0.958 44 HB3 TYR 7 HB1 TYR 7 7.264 2.169 1.257 45 HD1 TYR 7 HD1 TYR 7 6.343 5.593 2.496 46 HD2 TYR 7 HD2 TYR 7 7.810 1.679 3.473 47 HE1 TYR 7 HE1 TYR 7 6.395 6.208 4.898 48 HE2 TYR 7 HE2 TYR 7 7.874 2.296 5.869 49 HH TYR 7 HH TYR 7 7.189 3.825 7.390 50 H ALA 8 HN ALA 8 9.934 2.396 -0.028 51 HA ALA 8 HA ALA 8 9.140 2.296 -2.876 52 HB1 ALA 8 HB1 ALA 8 11.416 3.218 -2.378 53 HB2 ALA 8 HB2 ALA 8 11.440 1.777 -3.397 54 HB3 ALA 8 HB3 ALA 8 11.844 1.654 -1.685 55 H TYR 9 HN TYR 9 8.589 0.389 -3.750 56 HA TYR 9 HA TYR 9 8.019 -1.841 -2.117 57 HB2 TYR 9 HB2 TYR 9 6.797 -1.467 -4.182 58 HB3 TYR 9 HB1 TYR 9 8.278 -1.653 -5.124 59 HD1 TYR 9 HD1 TYR 9 6.155 -3.457 -2.622 60 HD2 TYR 9 HD2 TYR 9 8.911 -3.783 -5.906 61 HE1 TYR 9 HE1 TYR 9 5.812 -5.913 -2.668 62 HE2 TYR 9 HE2 TYR 9 8.557 -6.234 -5.952 63 HH TYR 9 HH TYR 9 6.097 -7.768 -4.699 64 H ASN 10 HN ASN 10 9.202 -3.523 -1.488 65 HA ASN 10 HA ASN 10 11.887 -3.843 -2.660 66 HB2 ASN 10 HB2 ASN 10 10.901 -3.898 0.096 67 HB3 ASN 10 HB1 ASN 10 11.973 -5.235 -0.321 68 HD21 ASN 10 HD21 ASN 10 14.171 -4.799 -0.352 69 HD22 ASN 10 HD22 ASN 10 14.842 -3.246 -0.336 70 HA PRO 11 HA PRO 11 9.881 -7.730 -3.880 71 HB2 PRO 11 HB2 PRO 11 11.814 -8.588 -5.624 72 HB3 PRO 11 HB1 PRO 11 10.553 -7.423 -6.054 73 HG2 PRO 11 HG2 PRO 11 13.409 -6.979 -5.463 74 HG3 PRO 11 HG1 PRO 11 12.312 -6.080 -6.524 75 HD2 PRO 11 HD2 PRO 11 13.120 -5.276 -3.975 76 HD3 PRO 11 HD1 PRO 11 11.728 -4.624 -4.861 77 H VAL 12 HN VAL 12 13.213 -7.330 -2.859 78 HA VAL 12 HA VAL 12 13.800 -10.040 -2.292 79 HB VAL 12 HB VAL 12 14.912 -7.458 -1.178 80 HG11 VAL 12 HG11 VAL 12 16.844 -9.246 -0.670 81 HG12 VAL 12 HG12 VAL 12 15.450 -10.315 -0.515 82 HG13 VAL 12 HG13 VAL 12 15.579 -8.881 0.505 83 HG21 VAL 12 HG21 VAL 12 16.178 -9.468 -3.053 84 HG22 VAL 12 HG22 VAL 12 16.697 -7.816 -2.726 85 HG23 VAL 12 HG23 VAL 12 15.219 -8.109 -3.641 86 H LEU 13 HN LEU 13 12.527 -7.391 -0.284 87 HA LEU 13 HA LEU 13 12.242 -9.136 2.020 88 HB2 LEU 13 HB2 LEU 13 11.259 -6.300 1.606 89 HB3 LEU 13 HB1 LEU 13 11.341 -7.165 3.139 90 HG LEU 13 HG LEU 13 13.719 -6.487 1.381 91 HD11 LEU 13 HD11 LEU 13 12.424 -5.176 3.730 92 HD12 LEU 13 HD12 LEU 13 13.260 -4.451 2.356 93 HD13 LEU 13 HD13 LEU 13 14.186 -5.182 3.667 94 HD21 LEU 13 HD21 LEU 13 13.353 -8.092 3.893 95 HD22 LEU 13 HD22 LEU 13 14.832 -7.155 3.695 96 HD23 LEU 13 HD23 LEU 13 14.414 -8.397 2.517 97 H GLY 14 HN GLY 14 10.325 -8.075 -0.657 98 HA2 GLY 14 HA2 GLY 14 8.313 -8.989 -1.392 99 HA3 GLY 14 HA1 GLY 14 8.171 -9.845 0.136 100 H ILE 15 HN ILE 15 8.815 -6.672 0.899 101 HA ILE 15 HA ILE 15 5.999 -5.841 0.746 102 HB ILE 15 HB ILE 15 5.708 -5.487 3.009 103 HG12 ILE 15 HG12 ILE 15 7.660 -4.139 3.519 104 HG13 ILE 15 HG11 ILE 15 7.610 -5.475 4.661 105 HG21 ILE 15 HG21 ILE 15 6.328 -7.529 4.142 106 HG22 ILE 15 HG22 ILE 15 7.648 -7.811 3.006 107 HG23 ILE 15 HG23 ILE 15 5.974 -7.915 2.456 108 HD11 ILE 15 HD11 ILE 15 9.110 -6.646 2.781 109 HD12 ILE 15 HD12 ILE 15 9.812 -5.638 4.041 110 HD13 ILE 15 HD13 ILE 15 9.528 -4.969 2.439 111 H CYS 16 HN CYS 16 5.856 -3.492 1.751 112 HA CYS 16 HA CYS 16 7.745 -1.906 0.192 113 HB2 CYS 16 HB2 CYS 16 5.392 -0.970 1.855 114 HB3 CYS 16 HB1 CYS 16 6.242 -0.056 0.609 115 H THR 17 HN THR 17 9.338 -0.641 1.037 116 HA THR 17 HA THR 17 9.473 -0.392 3.985 117 HB THR 17 HB THR 17 11.908 -0.668 3.844 118 HG1 THR 17 HG1 THR 17 11.501 -1.440 1.160 119 HG21 THR 17 HG21 THR 17 11.648 -2.895 4.071 120 HG22 THR 17 HG22 THR 17 11.169 -3.080 2.384 121 HG23 THR 17 HG23 THR 17 9.967 -2.649 3.600 122 H ILE 18 HN ILE 18 10.581 1.452 4.781 123 HA ILE 18 HA ILE 18 10.066 3.814 3.262 124 HB ILE 18 HB ILE 18 10.036 3.471 5.841 125 HG12 ILE 18 HG12 ILE 18 11.443 5.921 4.731 126 HG13 ILE 18 HG11 ILE 18 9.706 5.651 4.608 127 HG21 ILE 18 HG21 ILE 18 12.533 2.688 5.636 128 HG22 ILE 18 HG22 ILE 18 12.048 3.683 7.009 129 HG23 ILE 18 HG23 ILE 18 12.882 4.416 5.639 130 HD11 ILE 18 HD11 ILE 18 9.381 6.346 6.719 131 HD12 ILE 18 HD12 ILE 18 11.079 6.819 6.767 132 HD13 ILE 18 HD13 ILE 18 10.596 5.219 7.326 133 H THR 19 HN THR 19 11.598 5.399 2.580 134 HA THR 19 HA THR 19 14.347 4.401 2.195 135 HB THR 19 HB THR 19 14.336 5.284 -0.085 136 HG1 THR 19 HG1 THR 19 12.188 6.547 0.814 137 HG21 THR 19 HG21 THR 19 11.819 3.712 -0.103 138 HG22 THR 19 HG22 THR 19 13.195 2.964 0.708 139 HG23 THR 19 HG23 THR 19 13.321 3.442 -0.985 140 H LEU 20 HN LEU 20 15.938 6.004 2.155 141 HA LEU 20 HA LEU 20 15.081 8.768 2.639 142 HB2 LEU 20 HB2 LEU 20 16.828 7.119 4.460 143 HB3 LEU 20 HB1 LEU 20 16.801 8.878 4.514 144 HG LEU 20 HG LEU 20 14.354 7.108 4.836 145 HD11 LEU 20 HD11 LEU 20 14.541 7.953 7.251 146 HD12 LEU 20 HD12 LEU 20 16.200 8.394 6.847 147 HD13 LEU 20 HD13 LEU 20 15.687 6.708 6.755 148 HD21 LEU 20 HD21 LEU 20 14.837 10.054 4.762 149 HD22 LEU 20 HD22 LEU 20 13.694 9.463 5.966 150 HD23 LEU 20 HD23 LEU 20 13.421 9.133 4.257 151 H SER 21 HN SER 21 16.554 10.325 1.995 152 HA SER 21 HA SER 21 18.421 9.537 -0.022 153 HB2 SER 21 HB2 SER 21 18.857 11.895 -0.272 154 HB3 SER 21 HB1 SER 21 17.127 11.686 -0.022 155 HG SER 21 HG SER 21 17.325 12.425 2.019 156 H ARG 22 HN ARG 22 20.716 10.137 -0.024 157 HA ARG 22 HA ARG 22 21.961 9.382 2.502 158 HB2 ARG 22 HB2 ARG 22 23.043 9.788 -0.291 159 HB3 ARG 22 HB1 ARG 22 24.063 9.404 1.096 160 HG2 ARG 22 HG2 ARG 22 22.780 7.345 1.489 161 HG3 ARG 22 HG1 ARG 22 21.726 7.731 0.130 162 HD2 ARG 22 HD2 ARG 22 23.643 7.638 -1.403 163 HD3 ARG 22 HD1 ARG 22 24.720 7.295 -0.052 164 HE ARG 22 HE ARG 22 23.931 5.098 -0.036 165 HH11 ARG 22 HH11 ARG 22 22.760 3.382 -0.953 166 HH12 ARG 22 HH12 ARG 22 21.525 3.710 -2.122 167 HH21 ARG 22 HH21 ARG 22 21.981 7.147 -2.030 168 HH22 ARG 22 HH22 ARG 22 21.085 5.842 -2.732 Start of MODEL 15 1 H GLN 1 HN GLN 1 0.971 -5.512 -4.007 2 HA GLN 1 HA GLN 1 3.028 -4.799 -3.237 3 HB2 GLN 1 HB2 GLN 1 3.447 -4.690 -6.231 4 HB3 GLN 1 HB1 GLN 1 4.747 -4.464 -5.059 5 HG2 GLN 1 HG2 GLN 1 4.400 -6.675 -4.145 6 HG3 GLN 1 HG1 GLN 1 2.947 -6.899 -5.118 7 HE21 GLN 1 HE21 GLN 1 5.455 -8.536 -5.168 8 HE22 GLN 1 HE22 GLN 1 6.019 -8.451 -6.766 9 H TRP 2 HN TRP 2 0.859 -2.812 -3.849 10 HA TRP 2 HA TRP 2 2.077 -0.397 -4.750 11 HB2 TRP 2 HB2 TRP 2 -0.343 -0.737 -4.854 12 HB3 TRP 2 HB1 TRP 2 -0.418 -0.850 -3.096 13 HD1 TRP 2 HD1 TRP 2 0.242 1.654 -5.916 14 HE1 TRP 2 HE1 TRP 2 -0.048 4.039 -4.979 15 HE3 TRP 2 HE3 TRP 2 -0.376 0.588 -0.959 16 HZ2 TRP 2 HZ2 TRP 2 -0.490 5.323 -2.461 17 HZ3 TRP 2 HZ3 TRP 2 -0.733 2.408 0.684 18 HH2 TRP 2 HH2 TRP 2 -0.790 4.772 -0.059 19 H CYS 3 HN CYS 3 3.211 1.109 -3.678 20 HA CYS 3 HA CYS 3 3.511 0.794 -0.746 21 HB2 CYS 3 HB2 CYS 3 5.505 1.902 -2.738 22 HB3 CYS 3 HB1 CYS 3 5.752 1.769 -1.000 23 H GLN 4 HN GLN 4 3.208 2.543 0.523 24 HA GLN 4 HA GLN 4 1.828 4.792 -0.554 25 HB2 GLN 4 HB2 GLN 4 1.863 5.602 1.814 26 HB3 GLN 4 HB1 GLN 4 1.252 3.970 1.645 27 HG2 GLN 4 HG2 GLN 4 4.161 4.438 2.203 28 HG3 GLN 4 HG1 GLN 4 2.991 4.461 3.515 29 HE21 GLN 4 HE21 GLN 4 5.142 2.430 2.968 30 HE22 GLN 4 HE22 GLN 4 4.331 0.947 2.821 31 HA PRO 5 HA PRO 5 5.097 7.690 -1.394 32 HB2 PRO 5 HB2 PRO 5 3.834 9.585 0.549 33 HB3 PRO 5 HB1 PRO 5 4.324 9.859 -1.135 34 HG2 PRO 5 HG2 PRO 5 1.780 9.572 -0.531 35 HG3 PRO 5 HG1 PRO 5 2.448 8.813 -1.989 36 HD2 PRO 5 HD2 PRO 5 1.723 7.546 0.632 37 HD3 PRO 5 HD1 PRO 5 1.530 6.923 -1.022 38 H GLY 6 HN GLY 6 7.127 8.045 -0.576 39 HA2 GLY 6 HA2 GLY 6 8.753 8.514 1.064 40 HA3 GLY 6 HA1 GLY 6 7.542 8.240 2.314 41 H TYR 7 HN TYR 7 6.979 5.746 0.413 42 HA TYR 7 HA TYR 7 9.006 4.006 1.688 43 HB2 TYR 7 HB2 TYR 7 6.079 3.527 1.121 44 HB3 TYR 7 HB1 TYR 7 7.202 2.218 1.467 45 HD1 TYR 7 HD1 TYR 7 6.074 5.533 2.828 46 HD2 TYR 7 HD2 TYR 7 7.620 1.620 3.686 47 HE1 TYR 7 HE1 TYR 7 5.874 5.982 5.259 48 HE2 TYR 7 HE2 TYR 7 7.434 2.071 6.111 49 HH TYR 7 HH TYR 7 6.344 5.241 7.309 50 H ALA 8 HN ALA 8 10.033 2.520 0.441 51 HA ALA 8 HA ALA 8 9.462 2.602 -2.462 52 HB1 ALA 8 HB1 ALA 8 11.649 3.520 -1.975 53 HB2 ALA 8 HB2 ALA 8 11.858 1.941 -2.732 54 HB3 ALA 8 HB3 ALA 8 12.060 2.117 -0.988 55 H TYR 9 HN TYR 9 9.008 0.744 -3.490 56 HA TYR 9 HA TYR 9 8.331 -1.578 -2.044 57 HB2 TYR 9 HB2 TYR 9 7.315 -1.070 -4.208 58 HB3 TYR 9 HB1 TYR 9 8.879 -1.261 -5.003 59 HD1 TYR 9 HD1 TYR 9 6.451 -3.084 -2.816 60 HD2 TYR 9 HD2 TYR 9 9.574 -3.389 -5.757 61 HE1 TYR 9 HE1 TYR 9 6.064 -5.525 -2.975 62 HE2 TYR 9 HE2 TYR 9 9.177 -5.829 -5.917 63 HH TYR 9 HH TYR 9 7.192 -7.406 -5.465 64 H ASN 10 HN ASN 10 9.455 -3.306 -1.431 65 HA ASN 10 HA ASN 10 12.240 -3.548 -2.366 66 HB2 ASN 10 HB2 ASN 10 11.028 -3.730 0.285 67 HB3 ASN 10 HB1 ASN 10 12.094 -5.080 -0.103 68 HD21 ASN 10 HD21 ASN 10 14.298 -4.713 0.070 69 HD22 ASN 10 HD22 ASN 10 15.010 -3.184 0.222 70 HA PRO 11 HA PRO 11 10.367 -7.354 -3.985 71 HB2 PRO 11 HB2 PRO 11 12.448 -8.116 -5.593 72 HB3 PRO 11 HB1 PRO 11 11.239 -6.911 -6.063 73 HG2 PRO 11 HG2 PRO 11 14.027 -6.538 -5.164 74 HG3 PRO 11 HG1 PRO 11 13.053 -5.574 -6.287 75 HD2 PRO 11 HD2 PRO 11 13.591 -4.900 -3.636 76 HD3 PRO 11 HD1 PRO 11 12.285 -4.209 -4.618 77 H VAL 12 HN VAL 12 13.586 -7.030 -2.621 78 HA VAL 12 HA VAL 12 14.113 -9.777 -2.168 79 HB VAL 12 HB VAL 12 15.121 -7.276 -0.801 80 HG11 VAL 12 HG11 VAL 12 16.990 -9.098 -0.207 81 HG12 VAL 12 HG12 VAL 12 15.596 -10.177 -0.272 82 HG13 VAL 12 HG13 VAL 12 15.605 -8.816 0.849 83 HG21 VAL 12 HG21 VAL 12 15.683 -7.726 -3.237 84 HG22 VAL 12 HG22 VAL 12 16.507 -9.190 -2.700 85 HG23 VAL 12 HG23 VAL 12 17.078 -7.610 -2.165 86 H LEU 13 HN LEU 13 12.658 -7.244 -0.138 87 HA LEU 13 HA LEU 13 12.150 -9.123 2.018 88 HB2 LEU 13 HB2 LEU 13 11.220 -6.258 1.687 89 HB3 LEU 13 HB1 LEU 13 11.161 -7.214 3.166 90 HG LEU 13 HG LEU 13 13.689 -6.454 1.673 91 HD11 LEU 13 HD11 LEU 13 13.915 -5.316 4.110 92 HD12 LEU 13 HD12 LEU 13 12.165 -5.238 3.918 93 HD13 LEU 13 HD13 LEU 13 13.218 -4.475 2.726 94 HD21 LEU 13 HD21 LEU 13 14.590 -7.265 4.033 95 HD22 LEU 13 HD22 LEU 13 14.269 -8.434 2.752 96 HD23 LEU 13 HD23 LEU 13 13.093 -8.197 4.044 97 H GLY 14 HN GLY 14 10.510 -7.878 -0.761 98 HA2 GLY 14 HA2 GLY 14 8.574 -8.713 -1.745 99 HA3 GLY 14 HA1 GLY 14 8.279 -9.670 -0.301 100 H ILE 15 HN ILE 15 8.861 -6.560 0.735 101 HA ILE 15 HA ILE 15 6.075 -5.694 0.371 102 HB ILE 15 HB ILE 15 5.569 -5.490 2.613 103 HG12 ILE 15 HG12 ILE 15 7.465 -4.195 3.396 104 HG13 ILE 15 HG11 ILE 15 7.306 -5.605 4.435 105 HG21 ILE 15 HG21 ILE 15 7.494 -7.829 2.592 106 HG22 ILE 15 HG22 ILE 15 5.851 -7.872 1.951 107 HG23 ILE 15 HG23 ILE 15 6.118 -7.609 3.674 108 HD11 ILE 15 HD11 ILE 15 8.977 -6.655 2.627 109 HD12 ILE 15 HD12 ILE 15 9.557 -5.741 4.015 110 HD13 ILE 15 HD13 ILE 15 9.428 -4.962 2.443 111 H CYS 16 HN CYS 16 5.843 -3.421 1.528 112 HA CYS 16 HA CYS 16 7.840 -1.732 0.243 113 HB2 CYS 16 HB2 CYS 16 5.347 -0.979 1.793 114 HB3 CYS 16 HB1 CYS 16 6.317 0.103 0.796 115 H THR 17 HN THR 17 9.340 -0.489 1.286 116 HA THR 17 HA THR 17 9.308 -0.490 4.245 117 HB THR 17 HB THR 17 11.758 -0.704 4.221 118 HG1 THR 17 HG1 THR 17 11.550 -1.355 1.491 119 HG21 THR 17 HG21 THR 17 11.193 -3.035 2.589 120 HG22 THR 17 HG22 THR 17 9.857 -2.695 3.691 121 HG23 THR 17 HG23 THR 17 11.485 -2.934 4.325 122 H ILE 18 HN ILE 18 10.328 1.305 5.248 123 HA ILE 18 HA ILE 18 9.871 3.766 3.853 124 HB ILE 18 HB ILE 18 9.624 3.210 6.401 125 HG12 ILE 18 HG12 ILE 18 10.948 5.810 5.562 126 HG13 ILE 18 HG11 ILE 18 9.244 5.446 5.301 127 HG21 ILE 18 HG21 ILE 18 11.525 3.515 7.751 128 HG22 ILE 18 HG22 ILE 18 12.430 4.307 6.460 129 HG23 ILE 18 HG23 ILE 18 12.148 2.567 6.400 130 HD11 ILE 18 HD11 ILE 18 9.431 6.721 7.349 131 HD12 ILE 18 HD12 ILE 18 10.670 5.629 7.966 132 HD13 ILE 18 HD13 ILE 18 9.013 5.060 7.770 133 H THR 19 HN THR 19 11.397 5.399 3.388 134 HA THR 19 HA THR 19 14.209 4.508 3.241 135 HB THR 19 HB THR 19 14.394 5.566 1.037 136 HG1 THR 19 HG1 THR 19 12.896 7.100 0.948 137 HG21 THR 19 HG21 THR 19 11.981 3.891 0.642 138 HG22 THR 19 HG22 THR 19 13.289 3.148 1.563 139 HG23 THR 19 HG23 THR 19 13.587 3.740 -0.071 140 H LEU 20 HN LEU 20 15.756 6.219 3.241 141 HA LEU 20 HA LEU 20 14.728 8.752 4.373 142 HB2 LEU 20 HB2 LEU 20 15.906 7.387 6.047 143 HB3 LEU 20 HB1 LEU 20 17.319 7.315 4.999 144 HG LEU 20 HG LEU 20 17.530 9.782 5.117 145 HD11 LEU 20 HD11 LEU 20 16.079 10.732 7.140 146 HD12 LEU 20 HD12 LEU 20 14.974 9.453 6.637 147 HD13 LEU 20 HD13 LEU 20 15.444 10.712 5.494 148 HD21 LEU 20 HD21 LEU 20 18.898 9.168 6.808 149 HD22 LEU 20 HD22 LEU 20 17.770 7.934 7.366 150 HD23 LEU 20 HD23 LEU 20 17.581 9.605 7.896 151 H SER 21 HN SER 21 17.162 7.204 2.344 152 HA SER 21 HA SER 21 17.370 9.622 0.738 153 HB2 SER 21 HB2 SER 21 19.785 9.796 0.921 154 HB3 SER 21 HB1 SER 21 19.076 9.923 2.528 155 HG SER 21 HG SER 21 20.150 8.206 3.051 156 H ARG 22 HN ARG 22 18.618 9.241 -1.254 157 HA ARG 22 HA ARG 22 18.267 6.465 -2.148 158 HB2 ARG 22 HB2 ARG 22 17.211 8.316 -3.445 159 HB3 ARG 22 HB1 ARG 22 18.822 8.943 -3.793 160 HG2 ARG 22 HG2 ARG 22 19.426 6.829 -4.893 161 HG3 ARG 22 HG1 ARG 22 17.833 6.170 -4.520 162 HD2 ARG 22 HD2 ARG 22 16.788 7.980 -5.851 163 HD3 ARG 22 HD1 ARG 22 18.390 8.595 -6.251 164 HE ARG 22 HE ARG 22 17.112 6.236 -7.365 165 HH11 ARG 22 HH11 ARG 22 18.259 5.238 -9.053 166 HH12 ARG 22 HH12 ARG 22 19.910 5.670 -9.343 167 HH21 ARG 22 HH21 ARG 22 20.040 7.976 -6.757 168 HH22 ARG 22 HH22 ARG 22 20.919 7.219 -8.043 Start of MODEL 16 1 H GLN 1 HN GLN 1 -0.811 -5.115 -4.976 2 HA GLN 1 HA GLN 1 -0.366 -4.389 -2.821 3 HB2 GLN 1 HB2 GLN 1 2.466 -4.626 -3.865 4 HB3 GLN 1 HB1 GLN 1 1.984 -4.631 -2.168 5 HG2 GLN 1 HG2 GLN 1 2.196 -6.922 -2.709 6 HG3 GLN 1 HG1 GLN 1 0.463 -6.616 -2.799 7 HE21 GLN 1 HE21 GLN 1 -0.210 -7.976 -4.496 8 HE22 GLN 1 HE22 GLN 1 0.469 -7.961 -6.052 9 H TRP 2 HN TRP 2 -1.216 -2.307 -2.855 10 HA TRP 2 HA TRP 2 0.155 -0.045 -3.902 11 HB2 TRP 2 HB2 TRP 2 -2.268 -0.045 -3.550 12 HB3 TRP 2 HB1 TRP 2 -2.028 -0.215 -1.812 13 HD1 TRP 2 HD1 TRP 2 -1.580 2.286 -4.671 14 HE1 TRP 2 HE1 TRP 2 -1.320 4.647 -3.666 15 HE3 TRP 2 HE3 TRP 2 -1.329 1.110 0.291 16 HZ2 TRP 2 HZ2 TRP 2 -1.046 5.873 -1.096 17 HZ3 TRP 2 HZ3 TRP 2 -1.071 2.891 1.995 18 HH2 TRP 2 HH2 TRP 2 -0.928 5.268 1.309 19 H CYS 3 HN CYS 3 1.740 1.143 -3.071 20 HA CYS 3 HA CYS 3 2.411 0.811 -0.211 21 HB2 CYS 3 HB2 CYS 3 4.272 1.149 -2.577 22 HB3 CYS 3 HB1 CYS 3 4.802 1.184 -0.888 23 H GLN 4 HN GLN 4 2.402 2.587 0.957 24 HA GLN 4 HA GLN 4 1.464 5.040 0.113 25 HB2 GLN 4 HB2 GLN 4 2.674 5.876 2.271 26 HB3 GLN 4 HB1 GLN 4 1.390 4.685 2.429 27 HG2 GLN 4 HG2 GLN 4 4.236 3.789 2.080 28 HG3 GLN 4 HG1 GLN 4 3.673 4.311 3.665 29 HE21 GLN 4 HE21 GLN 4 4.440 1.545 2.798 30 HE22 GLN 4 HE22 GLN 4 3.067 0.586 3.079 31 HA PRO 5 HA PRO 5 4.847 7.012 -1.907 32 HB2 PRO 5 HB2 PRO 5 4.603 9.614 -1.015 33 HB3 PRO 5 HB1 PRO 5 3.592 8.898 -2.285 34 HG2 PRO 5 HG2 PRO 5 2.993 9.324 0.599 35 HG3 PRO 5 HG1 PRO 5 1.940 9.510 -0.815 36 HD2 PRO 5 HD2 PRO 5 1.800 7.341 0.803 37 HD3 PRO 5 HD1 PRO 5 1.471 7.229 -0.934 38 H GLY 6 HN GLY 6 6.998 7.569 -1.541 39 HA2 GLY 6 HA2 GLY 6 8.868 8.240 -0.259 40 HA3 GLY 6 HA1 GLY 6 7.874 8.152 1.195 41 H TYR 7 HN TYR 7 6.989 5.469 -0.291 42 HA TYR 7 HA TYR 7 9.101 3.821 0.958 43 HB2 TYR 7 HB2 TYR 7 6.156 3.321 0.510 44 HB3 TYR 7 HB1 TYR 7 7.285 2.042 0.926 45 HD1 TYR 7 HD1 TYR 7 6.261 5.470 2.054 46 HD2 TYR 7 HD2 TYR 7 7.692 1.578 3.176 47 HE1 TYR 7 HE1 TYR 7 6.105 6.101 4.447 48 HE2 TYR 7 HE2 TYR 7 7.546 2.212 5.566 49 HH TYR 7 HH TYR 7 7.479 5.116 6.699 50 H ALA 8 HN ALA 8 9.933 2.072 -0.195 51 HA ALA 8 HA ALA 8 9.231 1.975 -3.070 52 HB1 ALA 8 HB1 ALA 8 11.428 3.100 -2.596 53 HB2 ALA 8 HB2 ALA 8 11.549 1.672 -3.624 54 HB3 ALA 8 HB3 ALA 8 11.998 1.574 -1.920 55 H TYR 9 HN TYR 9 8.887 0.030 -3.932 56 HA TYR 9 HA TYR 9 8.442 -2.232 -2.335 57 HB2 TYR 9 HB2 TYR 9 7.363 -1.932 -4.510 58 HB3 TYR 9 HB1 TYR 9 8.927 -2.086 -5.314 59 HD1 TYR 9 HD1 TYR 9 6.496 -3.878 -3.134 60 HD2 TYR 9 HD2 TYR 9 9.882 -4.232 -5.763 61 HE1 TYR 9 HE1 TYR 9 6.251 -6.344 -3.119 62 HE2 TYR 9 HE2 TYR 9 9.628 -6.697 -5.747 63 HH TYR 9 HH TYR 9 7.122 -8.290 -5.075 64 H ASN 10 HN ASN 10 9.691 -3.818 -1.620 65 HA ASN 10 HA ASN 10 12.470 -3.941 -2.587 66 HB2 ASN 10 HB2 ASN 10 11.372 -3.864 0.069 67 HB3 ASN 10 HB1 ASN 10 12.274 -5.357 -0.176 68 HD21 ASN 10 HD21 ASN 10 14.475 -5.189 0.135 69 HD22 ASN 10 HD22 ASN 10 15.364 -3.752 0.025 70 HA PRO 11 HA PRO 11 10.817 -7.931 -3.966 71 HB2 PRO 11 HB2 PRO 11 12.995 -8.734 -5.430 72 HB3 PRO 11 HB1 PRO 11 11.747 -7.632 -6.038 73 HG2 PRO 11 HG2 PRO 11 14.481 -7.048 -5.084 74 HG3 PRO 11 HG1 PRO 11 13.500 -6.226 -6.308 75 HD2 PRO 11 HD2 PRO 11 13.919 -5.313 -3.713 76 HD3 PRO 11 HD1 PRO 11 12.603 -4.780 -4.779 77 H VAL 12 HN VAL 12 13.934 -7.391 -2.458 78 HA VAL 12 HA VAL 12 14.550 -10.078 -1.804 79 HB VAL 12 HB VAL 12 15.337 -7.457 -0.515 80 HG11 VAL 12 HG11 VAL 12 15.954 -10.304 0.185 81 HG12 VAL 12 HG12 VAL 12 15.722 -8.916 1.249 82 HG13 VAL 12 HG13 VAL 12 17.231 -9.100 0.354 83 HG21 VAL 12 HG21 VAL 12 17.188 -7.518 -1.891 84 HG22 VAL 12 HG22 VAL 12 16.055 -8.379 -2.933 85 HG23 VAL 12 HG23 VAL 12 17.212 -9.280 -1.955 86 H LEU 13 HN LEU 13 12.851 -7.503 -0.038 87 HA LEU 13 HA LEU 13 12.214 -9.293 2.167 88 HB2 LEU 13 HB2 LEU 13 11.311 -6.452 1.622 89 HB3 LEU 13 HB1 LEU 13 11.089 -7.336 3.129 90 HG LEU 13 HG LEU 13 13.760 -6.643 1.871 91 HD11 LEU 13 HD11 LEU 13 11.966 -5.211 3.666 92 HD12 LEU 13 HD12 LEU 13 13.428 -4.643 2.859 93 HD13 LEU 13 HD13 LEU 13 13.544 -5.485 4.404 94 HD21 LEU 13 HD21 LEU 13 14.402 -7.336 4.358 95 HD22 LEU 13 HD22 LEU 13 14.239 -8.560 3.099 96 HD23 LEU 13 HD23 LEU 13 12.922 -8.286 4.238 97 H GLY 14 HN GLY 14 10.774 -8.150 -0.768 98 HA2 GLY 14 HA2 GLY 14 8.896 -8.993 -1.857 99 HA3 GLY 14 HA1 GLY 14 8.517 -9.936 -0.419 100 H ILE 15 HN ILE 15 9.128 -6.884 0.639 101 HA ILE 15 HA ILE 15 6.379 -5.919 0.216 102 HB ILE 15 HB ILE 15 6.338 -5.235 2.650 103 HG12 ILE 15 HG12 ILE 15 7.820 -6.670 4.133 104 HG13 ILE 15 HG11 ILE 15 8.738 -7.099 2.693 105 HG21 ILE 15 HG21 ILE 15 5.678 -7.484 3.411 106 HG22 ILE 15 HG22 ILE 15 6.492 -8.195 2.017 107 HG23 ILE 15 HG23 ILE 15 5.081 -7.164 1.783 108 HD11 ILE 15 HD11 ILE 15 9.689 -5.009 2.512 109 HD12 ILE 15 HD12 ILE 15 9.429 -5.033 4.254 110 HD13 ILE 15 HD13 ILE 15 8.292 -4.188 3.207 111 H CYS 16 HN CYS 16 6.177 -3.594 1.092 112 HA CYS 16 HA CYS 16 8.404 -2.088 -0.032 113 HB2 CYS 16 HB2 CYS 16 5.655 -1.264 0.911 114 HB3 CYS 16 HB1 CYS 16 6.862 -0.130 0.320 115 H THR 17 HN THR 17 9.695 -0.680 1.037 116 HA THR 17 HA THR 17 9.352 -0.452 3.964 117 HB THR 17 HB THR 17 11.788 -0.623 4.219 118 HG1 THR 17 HG1 THR 17 11.616 -0.552 1.473 119 HG21 THR 17 HG21 THR 17 11.650 -2.874 4.368 120 HG22 THR 17 HG22 THR 17 11.360 -3.051 2.637 121 HG23 THR 17 HG23 THR 17 10.020 -2.686 3.724 122 H ILE 18 HN ILE 18 10.326 1.459 4.889 123 HA ILE 18 HA ILE 18 9.867 3.781 3.304 124 HB ILE 18 HB ILE 18 9.670 3.472 5.880 125 HG12 ILE 18 HG12 ILE 18 11.080 5.955 4.850 126 HG13 ILE 18 HG11 ILE 18 9.368 5.627 4.583 127 HG21 ILE 18 HG21 ILE 18 11.603 3.829 7.176 128 HG22 ILE 18 HG22 ILE 18 12.513 4.473 5.810 129 HG23 ILE 18 HG23 ILE 18 12.169 2.745 5.904 130 HD11 ILE 18 HD11 ILE 18 10.046 5.248 7.373 131 HD12 ILE 18 HD12 ILE 18 8.842 6.319 6.656 132 HD13 ILE 18 HD13 ILE 18 10.511 6.862 6.835 133 H THR 19 HN THR 19 11.329 5.311 2.532 134 HA THR 19 HA THR 19 14.166 4.477 2.460 135 HB THR 19 HB THR 19 14.291 5.279 0.147 136 HG1 THR 19 HG1 THR 19 11.478 5.549 0.309 137 HG21 THR 19 HG21 THR 19 13.436 3.350 -0.780 138 HG22 THR 19 HG22 THR 19 11.910 3.481 0.095 139 HG23 THR 19 HG23 THR 19 13.356 2.902 0.924 140 H LEU 20 HN LEU 20 15.687 6.191 2.304 141 HA LEU 20 HA LEU 20 14.661 8.901 2.683 142 HB2 LEU 20 HB2 LEU 20 16.465 9.148 4.529 143 HB3 LEU 20 HB1 LEU 20 14.920 8.428 4.940 144 HG LEU 20 HG LEU 20 16.921 7.209 5.866 145 HD11 LEU 20 HD11 LEU 20 14.581 6.162 4.893 146 HD12 LEU 20 HD12 LEU 20 15.784 5.257 5.803 147 HD13 LEU 20 HD13 LEU 20 15.787 5.193 4.044 148 HD21 LEU 20 HD21 LEU 20 18.300 7.611 3.754 149 HD22 LEU 20 HD22 LEU 20 17.387 6.288 3.027 150 HD23 LEU 20 HD23 LEU 20 18.387 5.993 4.445 151 H SER 21 HN SER 21 16.538 10.505 2.735 152 HA SER 21 HA SER 21 18.072 10.129 0.351 153 HB2 SER 21 HB2 SER 21 18.189 12.287 2.468 154 HB3 SER 21 HB1 SER 21 19.043 12.342 0.929 155 HG SER 21 HG SER 21 16.858 11.972 0.002 156 H ARG 22 HN ARG 22 20.316 9.954 0.121 157 HA ARG 22 HA ARG 22 22.321 8.912 0.613 158 HB2 ARG 22 HB2 ARG 22 21.990 10.704 3.031 159 HB3 ARG 22 HB1 ARG 22 23.503 9.953 2.525 160 HG2 ARG 22 HG2 ARG 22 23.430 11.145 0.396 161 HG3 ARG 22 HG1 ARG 22 21.857 11.830 0.804 162 HD2 ARG 22 HD2 ARG 22 23.564 13.493 1.268 163 HD3 ARG 22 HD1 ARG 22 22.906 12.921 2.797 164 HE ARG 22 HE ARG 22 25.188 11.384 2.071 165 HH11 ARG 22 HH11 ARG 22 27.125 11.786 3.188 166 HH12 ARG 22 HH12 ARG 22 27.325 13.271 4.058 167 HH21 ARG 22 HH21 ARG 22 24.188 14.490 3.221 168 HH22 ARG 22 HH22 ARG 22 25.663 14.802 4.075 Start of MODEL 17 1 H GLN 1 HN GLN 1 1.258 -5.639 -5.805 2 HA GLN 1 HA GLN 1 1.106 -5.160 -3.555 3 HB2 GLN 1 HB2 GLN 1 3.437 -6.317 -3.665 4 HB3 GLN 1 HB1 GLN 1 4.073 -4.684 -3.486 5 HG2 GLN 1 HG2 GLN 1 3.891 -5.636 -1.278 6 HG3 GLN 1 HG1 GLN 1 2.626 -4.422 -1.442 7 HE21 GLN 1 HE21 GLN 1 3.013 -7.952 -2.144 8 HE22 GLN 1 HE22 GLN 1 1.486 -8.379 -1.538 9 H TRP 2 HN TRP 2 0.054 -3.273 -3.365 10 HA TRP 2 HA TRP 2 1.050 -0.769 -4.268 11 HB2 TRP 2 HB2 TRP 2 -1.353 -1.221 -4.023 12 HB3 TRP 2 HB1 TRP 2 -1.150 -1.372 -2.278 13 HD1 TRP 2 HD1 TRP 2 -1.114 1.199 -5.097 14 HE1 TRP 2 HE1 TRP 2 -1.272 3.560 -4.072 15 HE3 TRP 2 HE3 TRP 2 -0.661 0.041 -0.144 16 HZ2 TRP 2 HZ2 TRP 2 -1.213 4.793 -1.491 17 HZ3 TRP 2 HZ3 TRP 2 -0.715 1.827 1.574 18 HH2 TRP 2 HH2 TRP 2 -0.988 4.198 0.909 19 H CYS 3 HN CYS 3 2.279 0.724 -3.289 20 HA CYS 3 HA CYS 3 2.990 0.296 -0.445 21 HB2 CYS 3 HB2 CYS 3 4.681 1.475 -2.665 22 HB3 CYS 3 HB1 CYS 3 5.155 1.373 -0.971 23 H GLN 4 HN GLN 4 3.246 2.142 0.849 24 HA GLN 4 HA GLN 4 1.477 4.310 0.237 25 HB2 GLN 4 HB2 GLN 4 2.982 5.077 2.449 26 HB3 GLN 4 HB1 GLN 4 1.430 4.243 2.493 27 HG2 GLN 4 HG2 GLN 4 4.094 2.814 2.296 28 HG3 GLN 4 HG1 GLN 4 3.281 3.141 3.825 29 HE21 GLN 4 HE21 GLN 4 3.681 0.726 1.590 30 HE22 GLN 4 HE22 GLN 4 2.224 -0.115 1.820 31 HA PRO 5 HA PRO 5 4.300 7.174 -1.530 32 HB2 PRO 5 HB2 PRO 5 3.715 9.523 -0.208 33 HB3 PRO 5 HB1 PRO 5 2.713 8.838 -1.500 34 HG2 PRO 5 HG2 PRO 5 2.338 8.717 1.449 35 HG3 PRO 5 HG1 PRO 5 1.136 8.913 0.163 36 HD2 PRO 5 HD2 PRO 5 1.539 6.535 1.424 37 HD3 PRO 5 HD1 PRO 5 1.030 6.630 -0.272 38 H GLY 6 HN GLY 6 6.416 7.746 -1.222 39 HA2 GLY 6 HA2 GLY 6 8.316 8.486 -0.041 40 HA3 GLY 6 HA1 GLY 6 7.414 8.331 1.466 41 H TYR 7 HN TYR 7 6.631 5.607 -0.015 42 HA TYR 7 HA TYR 7 8.911 4.085 1.094 43 HB2 TYR 7 HB2 TYR 7 5.968 3.442 0.922 44 HB3 TYR 7 HB1 TYR 7 7.179 2.202 1.211 45 HD1 TYR 7 HD1 TYR 7 6.200 5.608 2.451 46 HD2 TYR 7 HD2 TYR 7 7.770 1.733 3.421 47 HE1 TYR 7 HE1 TYR 7 6.263 6.231 4.851 48 HE2 TYR 7 HE2 TYR 7 7.845 2.356 5.815 49 HH TYR 7 HH TYR 7 6.247 4.453 7.212 50 H ALA 8 HN ALA 8 9.816 2.458 -0.121 51 HA ALA 8 HA ALA 8 8.960 2.328 -2.952 52 HB1 ALA 8 HB1 ALA 8 11.709 1.921 -1.750 53 HB2 ALA 8 HB2 ALA 8 11.179 3.323 -2.679 54 HB3 ALA 8 HB3 ALA 8 11.307 1.746 -3.459 55 H TYR 9 HN TYR 9 8.451 0.397 -3.799 56 HA TYR 9 HA TYR 9 7.991 -1.838 -2.141 57 HB2 TYR 9 HB2 TYR 9 6.716 -1.520 -4.182 58 HB3 TYR 9 HB1 TYR 9 8.182 -1.669 -5.152 59 HD1 TYR 9 HD1 TYR 9 6.149 -3.514 -2.607 60 HD2 TYR 9 HD2 TYR 9 8.887 -3.789 -5.910 61 HE1 TYR 9 HE1 TYR 9 5.884 -5.978 -2.624 62 HE2 TYR 9 HE2 TYR 9 8.612 -6.249 -5.926 63 HH TYR 9 HH TYR 9 7.601 -7.994 -5.015 64 H ASN 10 HN ASN 10 9.226 -3.488 -1.535 65 HA ASN 10 HA ASN 10 11.896 -3.738 -2.756 66 HB2 ASN 10 HB2 ASN 10 10.977 -3.772 0.019 67 HB3 ASN 10 HB1 ASN 10 12.055 -5.104 -0.400 68 HD21 ASN 10 HD21 ASN 10 14.245 -4.644 -0.460 69 HD22 ASN 10 HD22 ASN 10 14.898 -3.082 -0.493 70 HA PRO 11 HA PRO 11 9.971 -7.688 -3.897 71 HB2 PRO 11 HB2 PRO 11 11.920 -8.530 -5.636 72 HB3 PRO 11 HB1 PRO 11 10.618 -7.415 -6.079 73 HG2 PRO 11 HG2 PRO 11 13.463 -6.870 -5.535 74 HG3 PRO 11 HG1 PRO 11 12.321 -6.022 -6.590 75 HD2 PRO 11 HD2 PRO 11 13.147 -5.158 -4.064 76 HD3 PRO 11 HD1 PRO 11 11.727 -4.558 -4.940 77 H VAL 12 HN VAL 12 13.311 -7.217 -2.909 78 HA VAL 12 HA VAL 12 13.932 -9.914 -2.304 79 HB VAL 12 HB VAL 12 15.036 -7.304 -1.251 80 HG11 VAL 12 HG11 VAL 12 15.777 -8.664 0.440 81 HG12 VAL 12 HG12 VAL 12 16.984 -9.111 -0.765 82 HG13 VAL 12 HG13 VAL 12 15.571 -10.135 -0.512 83 HG21 VAL 12 HG21 VAL 12 16.162 -9.354 -3.185 84 HG22 VAL 12 HG22 VAL 12 16.881 -7.798 -2.768 85 HG23 VAL 12 HG23 VAL 12 15.369 -7.857 -3.675 86 H LEU 13 HN LEU 13 12.668 -7.245 -0.317 87 HA LEU 13 HA LEU 13 12.445 -8.939 2.024 88 HB2 LEU 13 HB2 LEU 13 11.380 -6.144 1.544 89 HB3 LEU 13 HB1 LEU 13 11.493 -6.963 3.099 90 HG LEU 13 HG LEU 13 13.846 -6.286 1.307 91 HD11 LEU 13 HD11 LEU 13 14.255 -4.912 3.596 92 HD12 LEU 13 HD12 LEU 13 12.492 -4.892 3.558 93 HD13 LEU 13 HD13 LEU 13 13.411 -4.226 2.209 94 HD21 LEU 13 HD21 LEU 13 14.982 -6.839 3.640 95 HD22 LEU 13 HD22 LEU 13 14.594 -8.134 2.509 96 HD23 LEU 13 HD23 LEU 13 13.528 -7.808 3.875 97 H GLY 14 HN GLY 14 10.459 -7.983 -0.645 98 HA2 GLY 14 HA2 GLY 14 8.468 -8.973 -1.336 99 HA3 GLY 14 HA1 GLY 14 8.371 -9.805 0.209 100 H ILE 15 HN ILE 15 8.929 -6.601 0.916 101 HA ILE 15 HA ILE 15 6.094 -5.846 0.762 102 HB ILE 15 HB ILE 15 5.791 -5.476 3.024 103 HG12 ILE 15 HG12 ILE 15 7.729 -4.105 3.532 104 HG13 ILE 15 HG11 ILE 15 7.690 -5.438 4.678 105 HG21 ILE 15 HG21 ILE 15 6.375 -7.516 4.137 106 HG22 ILE 15 HG22 ILE 15 7.769 -7.763 3.087 107 HG23 ILE 15 HG23 ILE 15 6.137 -7.910 2.436 108 HD11 ILE 15 HD11 ILE 15 9.598 -4.930 2.441 109 HD12 ILE 15 HD12 ILE 15 9.213 -6.606 2.827 110 HD13 ILE 15 HD13 ILE 15 9.900 -5.553 4.060 111 H CYS 16 HN CYS 16 5.878 -3.498 1.737 112 HA CYS 16 HA CYS 16 7.709 -1.866 0.167 113 HB2 CYS 16 HB2 CYS 16 5.375 -0.981 1.882 114 HB3 CYS 16 HB1 CYS 16 6.176 -0.051 0.616 115 H THR 17 HN THR 17 9.288 -0.566 0.978 116 HA THR 17 HA THR 17 9.482 -0.308 3.920 117 HB THR 17 HB THR 17 11.921 -0.540 3.727 118 HG1 THR 17 HG1 THR 17 12.828 -0.537 1.843 119 HG21 THR 17 HG21 THR 17 9.985 -2.557 3.489 120 HG22 THR 17 HG22 THR 17 11.652 -2.751 4.032 121 HG23 THR 17 HG23 THR 17 11.246 -2.987 2.332 122 H ILE 18 HN ILE 18 10.598 1.554 4.681 123 HA ILE 18 HA ILE 18 10.013 3.903 3.151 124 HB ILE 18 HB ILE 18 10.019 3.555 5.743 125 HG12 ILE 18 HG12 ILE 18 11.291 6.057 4.588 126 HG13 ILE 18 HG11 ILE 18 9.566 5.709 4.507 127 HG21 ILE 18 HG21 ILE 18 12.049 3.925 6.872 128 HG22 ILE 18 HG22 ILE 18 12.830 4.597 5.440 129 HG23 ILE 18 HG23 ILE 18 12.521 2.863 5.545 130 HD11 ILE 18 HD11 ILE 18 9.268 6.434 6.611 131 HD12 ILE 18 HD12 ILE 18 10.959 6.935 6.635 132 HD13 ILE 18 HD13 ILE 18 10.507 5.328 7.207 133 H THR 19 HN THR 19 11.515 5.521 2.488 134 HA THR 19 HA THR 19 14.271 4.540 2.047 135 HB THR 19 HB THR 19 14.231 5.542 -0.185 136 HG1 THR 19 HG1 THR 19 11.601 6.211 0.601 137 HG21 THR 19 HG21 THR 19 11.725 3.895 -0.059 138 HG22 THR 19 HG22 THR 19 13.265 3.165 0.400 139 HG23 THR 19 HG23 THR 19 13.050 3.822 -1.223 140 H LEU 20 HN LEU 20 15.860 6.216 1.792 141 HA LEU 20 HA LEU 20 15.123 8.950 2.391 142 HB2 LEU 20 HB2 LEU 20 16.397 9.128 4.442 143 HB3 LEU 20 HB1 LEU 20 15.181 7.871 4.628 144 HG LEU 20 HG LEU 20 18.108 7.390 3.963 145 HD11 LEU 20 HD11 LEU 20 18.111 7.978 6.221 146 HD12 LEU 20 HD12 LEU 20 17.880 6.231 6.299 147 HD13 LEU 20 HD13 LEU 20 16.501 7.313 6.499 148 HD21 LEU 20 HD21 LEU 20 17.041 5.533 3.048 149 HD22 LEU 20 HD22 LEU 20 15.685 5.631 4.171 150 HD23 LEU 20 HD23 LEU 20 17.237 4.999 4.716 151 H SER 21 HN SER 21 16.962 10.417 2.265 152 HA SER 21 HA SER 21 18.742 9.695 0.149 153 HB2 SER 21 HB2 SER 21 19.594 11.942 0.350 154 HB3 SER 21 HB1 SER 21 17.847 12.005 0.551 155 HG SER 21 HG SER 21 19.851 12.593 2.313 156 H ARG 22 HN ARG 22 21.100 9.847 0.268 157 HA ARG 22 HA ARG 22 22.235 9.257 2.918 158 HB2 ARG 22 HB2 ARG 22 22.687 7.571 0.443 159 HB3 ARG 22 HB1 ARG 22 23.514 7.367 1.988 160 HG2 ARG 22 HG2 ARG 22 21.352 6.941 3.094 161 HG3 ARG 22 HG1 ARG 22 20.521 7.141 1.552 162 HD2 ARG 22 HD2 ARG 22 20.829 4.773 1.926 163 HD3 ARG 22 HD1 ARG 22 21.914 5.267 0.631 164 HE ARG 22 HE ARG 22 23.247 5.432 3.137 165 HH11 ARG 22 HH11 ARG 22 24.759 3.812 3.635 166 HH12 ARG 22 HH12 ARG 22 24.719 2.305 2.780 167 HH21 ARG 22 HH21 ARG 22 22.017 3.199 0.798 168 HH22 ARG 22 HH22 ARG 22 23.167 1.958 1.174 Start of MODEL 18 1 H GLN 1 HN GLN 1 -0.702 -5.415 -4.242 2 HA GLN 1 HA GLN 1 1.650 -5.238 -3.405 3 HB2 GLN 1 HB2 GLN 1 2.111 -5.252 -6.392 4 HB3 GLN 1 HB1 GLN 1 3.333 -4.733 -5.231 5 HG2 GLN 1 HG2 GLN 1 3.336 -6.899 -4.160 6 HG3 GLN 1 HG1 GLN 1 1.954 -7.428 -5.119 7 HE21 GLN 1 HE21 GLN 1 4.712 -8.616 -5.032 8 HE22 GLN 1 HE22 GLN 1 5.276 -8.563 -6.631 9 H TRP 2 HN TRP 2 1.130 -3.351 -2.442 10 HA TRP 2 HA TRP 2 1.278 -0.920 -4.090 11 HB2 TRP 2 HB2 TRP 2 -1.114 -1.391 -3.822 12 HB3 TRP 2 HB1 TRP 2 -0.909 -1.479 -2.072 13 HD1 TRP 2 HD1 TRP 2 -0.887 0.998 -4.977 14 HE1 TRP 2 HE1 TRP 2 -1.084 3.388 -4.032 15 HE3 TRP 2 HE3 TRP 2 -0.473 0.009 0.016 16 HZ2 TRP 2 HZ2 TRP 2 -1.068 4.707 -1.493 17 HZ3 TRP 2 HZ3 TRP 2 -0.566 1.849 1.673 18 HH2 TRP 2 HH2 TRP 2 -0.861 4.193 0.928 19 H CYS 3 HN CYS 3 2.433 0.675 -3.161 20 HA CYS 3 HA CYS 3 3.190 0.352 -0.316 21 HB2 CYS 3 HB2 CYS 3 4.834 1.507 -2.581 22 HB3 CYS 3 HB1 CYS 3 5.325 1.446 -0.891 23 H GLN 4 HN GLN 4 3.399 2.219 0.927 24 HA GLN 4 HA GLN 4 1.598 4.349 0.270 25 HB2 GLN 4 HB2 GLN 4 3.095 5.177 2.467 26 HB3 GLN 4 HB1 GLN 4 1.551 4.330 2.528 27 HG2 GLN 4 HG2 GLN 4 4.226 2.923 2.365 28 HG3 GLN 4 HG1 GLN 4 3.409 3.274 3.883 29 HE21 GLN 4 HE21 GLN 4 3.821 0.822 1.677 30 HE22 GLN 4 HE22 GLN 4 2.373 -0.025 1.930 31 HA PRO 5 HA PRO 5 4.380 7.215 -1.550 32 HB2 PRO 5 HB2 PRO 5 3.795 9.574 -0.236 33 HB3 PRO 5 HB1 PRO 5 2.793 8.879 -1.524 34 HG2 PRO 5 HG2 PRO 5 2.425 8.775 1.427 35 HG3 PRO 5 HG1 PRO 5 1.218 8.955 0.142 36 HD2 PRO 5 HD2 PRO 5 1.633 6.591 1.418 37 HD3 PRO 5 HD1 PRO 5 1.129 6.668 -0.280 38 H GLY 6 HN GLY 6 6.496 7.803 -1.268 39 HA2 GLY 6 HA2 GLY 6 8.404 8.559 -0.111 40 HA3 GLY 6 HA1 GLY 6 7.516 8.415 1.406 41 H TYR 7 HN TYR 7 6.727 5.672 -0.033 42 HA TYR 7 HA TYR 7 9.029 4.175 1.065 43 HB2 TYR 7 HB2 TYR 7 6.086 3.526 0.959 44 HB3 TYR 7 HB1 TYR 7 7.302 2.285 1.230 45 HD1 TYR 7 HD1 TYR 7 6.316 5.688 2.476 46 HD2 TYR 7 HD2 TYR 7 7.985 1.846 3.417 47 HE1 TYR 7 HE1 TYR 7 6.436 6.324 4.871 48 HE2 TYR 7 HE2 TYR 7 8.117 2.481 5.804 49 HH TYR 7 HH TYR 7 6.565 5.303 7.038 50 H ALA 8 HN ALA 8 9.896 2.494 -0.125 51 HA ALA 8 HA ALA 8 9.022 2.346 -2.949 52 HB1 ALA 8 HB1 ALA 8 11.345 1.731 -3.475 53 HB2 ALA 8 HB2 ALA 8 11.769 1.876 -1.768 54 HB3 ALA 8 HB3 ALA 8 11.267 3.302 -2.677 55 H TYR 9 HN TYR 9 8.473 0.413 -3.771 56 HA TYR 9 HA TYR 9 7.986 -1.793 -2.075 57 HB2 TYR 9 HB2 TYR 9 6.702 -1.439 -4.124 58 HB3 TYR 9 HB1 TYR 9 8.153 -1.688 -5.094 59 HD1 TYR 9 HD1 TYR 9 5.988 -3.346 -2.535 60 HD2 TYR 9 HD2 TYR 9 8.803 -3.864 -5.744 61 HE1 TYR 9 HE1 TYR 9 5.596 -5.794 -2.485 62 HE2 TYR 9 HE2 TYR 9 8.405 -6.310 -5.691 63 HH TYR 9 HH TYR 9 6.294 -7.815 -4.863 64 H ASN 10 HN ASN 10 9.210 -3.462 -1.473 65 HA ASN 10 HA ASN 10 11.858 -3.758 -2.734 66 HB2 ASN 10 HB2 ASN 10 10.973 -3.783 0.055 67 HB3 ASN 10 HB1 ASN 10 12.036 -5.121 -0.379 68 HD21 ASN 10 HD21 ASN 10 14.231 -4.674 -0.520 69 HD22 ASN 10 HD22 ASN 10 14.893 -3.116 -0.541 70 HA PRO 11 HA PRO 11 9.869 -7.691 -3.833 71 HB2 PRO 11 HB2 PRO 11 11.731 -8.539 -5.646 72 HB3 PRO 11 HB1 PRO 11 10.453 -7.374 -6.031 73 HG2 PRO 11 HG2 PRO 11 13.329 -6.923 -5.526 74 HG3 PRO 11 HG1 PRO 11 12.208 -6.047 -6.580 75 HD2 PRO 11 HD2 PRO 11 13.063 -5.185 -4.072 76 HD3 PRO 11 HD1 PRO 11 11.632 -4.574 -4.924 77 H VAL 12 HN VAL 12 13.232 -7.230 -2.938 78 HA VAL 12 HA VAL 12 13.882 -9.927 -2.369 79 HB VAL 12 HB VAL 12 14.995 -7.318 -1.322 80 HG11 VAL 12 HG11 VAL 12 15.568 -10.150 -0.615 81 HG12 VAL 12 HG12 VAL 12 15.780 -8.687 0.346 82 HG13 VAL 12 HG13 VAL 12 16.967 -9.111 -0.889 83 HG21 VAL 12 HG21 VAL 12 15.979 -9.343 -3.358 84 HG22 VAL 12 HG22 VAL 12 16.864 -7.906 -2.848 85 HG23 VAL 12 HG23 VAL 12 15.340 -7.739 -3.719 86 H LEU 13 HN LEU 13 12.645 -7.279 -0.340 87 HA LEU 13 HA LEU 13 12.479 -9.000 1.990 88 HB2 LEU 13 HB2 LEU 13 11.429 -6.187 1.588 89 HB3 LEU 13 HB1 LEU 13 11.610 -7.030 3.124 90 HG LEU 13 HG LEU 13 13.877 -6.337 1.233 91 HD11 LEU 13 HD11 LEU 13 13.512 -4.293 2.197 92 HD12 LEU 13 HD12 LEU 13 14.412 -5.018 3.530 93 HD13 LEU 13 HD13 LEU 13 12.649 -4.979 3.574 94 HD21 LEU 13 HD21 LEU 13 15.127 -6.952 3.492 95 HD22 LEU 13 HD22 LEU 13 14.661 -8.220 2.357 96 HD23 LEU 13 HD23 LEU 13 13.674 -7.908 3.784 97 H GLY 14 HN GLY 14 10.450 -8.026 -0.632 98 HA2 GLY 14 HA2 GLY 14 8.421 -8.972 -1.268 99 HA3 GLY 14 HA1 GLY 14 8.351 -9.804 0.278 100 H ILE 15 HN ILE 15 8.987 -6.603 0.939 101 HA ILE 15 HA ILE 15 6.153 -5.818 0.922 102 HB ILE 15 HB ILE 15 5.978 -5.433 3.186 103 HG12 ILE 15 HG12 ILE 15 7.901 -3.997 3.551 104 HG13 ILE 15 HG11 ILE 15 7.972 -5.304 4.723 105 HG21 ILE 15 HG21 ILE 15 8.011 -7.674 3.148 106 HG22 ILE 15 HG22 ILE 15 6.326 -7.867 2.668 107 HG23 ILE 15 HG23 ILE 15 6.725 -7.421 4.327 108 HD11 ILE 15 HD11 ILE 15 9.400 -6.451 2.758 109 HD12 ILE 15 HD12 ILE 15 10.133 -5.428 3.987 110 HD13 ILE 15 HD13 ILE 15 9.753 -4.762 2.402 111 H CYS 16 HN CYS 16 6.071 -3.450 1.960 112 HA CYS 16 HA CYS 16 7.824 -1.853 0.249 113 HB2 CYS 16 HB2 CYS 16 5.517 -0.984 2.010 114 HB3 CYS 16 HB1 CYS 16 6.312 -0.017 0.768 115 H THR 17 HN THR 17 9.432 -0.543 0.994 116 HA THR 17 HA THR 17 9.714 -0.240 3.925 117 HB THR 17 HB THR 17 12.147 -0.470 3.663 118 HG1 THR 17 HG1 THR 17 12.760 -0.067 1.689 119 HG21 THR 17 HG21 THR 17 10.220 -2.492 3.545 120 HG22 THR 17 HG22 THR 17 11.917 -2.685 3.985 121 HG23 THR 17 HG23 THR 17 11.404 -2.936 2.316 122 H ILE 18 HN ILE 18 10.825 1.639 4.627 123 HA ILE 18 HA ILE 18 10.191 3.960 3.085 124 HB ILE 18 HB ILE 18 10.301 3.641 5.681 125 HG12 ILE 18 HG12 ILE 18 11.487 6.143 4.437 126 HG13 ILE 18 HG11 ILE 18 9.764 5.771 4.445 127 HG21 ILE 18 HG21 ILE 18 13.083 4.712 5.250 128 HG22 ILE 18 HG22 ILE 18 12.801 2.978 5.396 129 HG23 ILE 18 HG23 ILE 18 12.368 4.058 6.723 130 HD11 ILE 18 HD11 ILE 18 10.816 5.437 7.102 131 HD12 ILE 18 HD12 ILE 18 9.562 6.544 6.541 132 HD13 ILE 18 HD13 ILE 18 11.256 7.033 6.494 133 H THR 19 HN THR 19 11.665 5.576 2.350 134 HA THR 19 HA THR 19 14.401 4.591 1.813 135 HB THR 19 HB THR 19 14.276 5.592 -0.421 136 HG1 THR 19 HG1 THR 19 11.687 6.258 0.481 137 HG21 THR 19 HG21 THR 19 13.282 3.750 -1.325 138 HG22 THR 19 HG22 THR 19 11.788 3.992 -0.421 139 HG23 THR 19 HG23 THR 19 13.173 3.227 0.356 140 H LEU 20 HN LEU 20 15.975 6.273 1.456 141 HA LEU 20 HA LEU 20 15.243 8.995 2.161 142 HB2 LEU 20 HB2 LEU 20 16.791 9.136 4.042 143 HB3 LEU 20 HB1 LEU 20 15.566 7.912 4.353 144 HG LEU 20 HG LEU 20 18.363 7.338 3.308 145 HD11 LEU 20 HD11 LEU 20 18.702 6.365 5.580 146 HD12 LEU 20 HD12 LEU 20 17.138 7.022 6.062 147 HD13 LEU 20 HD13 LEU 20 18.452 8.110 5.613 148 HD21 LEU 20 HD21 LEU 20 17.498 4.990 4.256 149 HD22 LEU 20 HD22 LEU 20 17.170 5.485 2.598 150 HD23 LEU 20 HD23 LEU 20 15.929 5.675 3.836 151 H SER 21 HN SER 21 17.098 10.486 1.957 152 HA SER 21 HA SER 21 18.504 10.070 -0.446 153 HB2 SER 21 HB2 SER 21 18.017 12.309 0.424 154 HB3 SER 21 HB1 SER 21 19.080 12.019 1.798 155 HG SER 21 HG SER 21 20.737 11.606 0.136 156 H ARG 22 HN ARG 22 19.540 9.831 2.942 157 HA ARG 22 HA ARG 22 21.719 8.060 2.105 158 HB2 ARG 22 HB2 ARG 22 22.094 10.600 3.699 159 HB3 ARG 22 HB1 ARG 22 23.283 9.298 3.663 160 HG2 ARG 22 HG2 ARG 22 23.426 9.496 1.204 161 HG3 ARG 22 HG1 ARG 22 22.248 10.807 1.244 162 HD2 ARG 22 HD2 ARG 22 23.765 12.140 2.652 163 HD3 ARG 22 HD1 ARG 22 24.944 10.832 2.628 164 HE ARG 22 HE ARG 22 24.318 11.529 -0.031 165 HH11 ARG 22 HH11 ARG 22 25.768 12.839 -1.187 166 HH12 ARG 22 HH12 ARG 22 26.916 13.814 -0.333 167 HH21 ARG 22 HH21 ARG 22 25.858 12.782 2.802 168 HH22 ARG 22 HH22 ARG 22 26.965 13.783 1.925 Start of MODEL 19 1 H GLN 1 HN GLN 1 0.769 -4.781 -6.121 2 HA GLN 1 HA GLN 1 0.012 -3.836 -3.824 3 HB2 GLN 1 HB2 GLN 1 2.734 -4.646 -4.670 4 HB3 GLN 1 HB1 GLN 1 2.615 -3.823 -3.114 5 HG2 GLN 1 HG2 GLN 1 0.833 -6.146 -3.873 6 HG3 GLN 1 HG1 GLN 1 2.370 -6.360 -3.038 7 HE21 GLN 1 HE21 GLN 1 2.517 -5.639 -0.807 8 HE22 GLN 1 HE22 GLN 1 1.138 -5.199 0.080 9 H TRP 2 HN TRP 2 -0.742 -1.748 -3.749 10 HA TRP 2 HA TRP 2 0.784 0.538 -4.476 11 HB2 TRP 2 HB2 TRP 2 -1.663 0.585 -4.385 12 HB3 TRP 2 HB1 TRP 2 -1.613 0.295 -2.646 13 HD1 TRP 2 HD1 TRP 2 -0.822 2.963 -5.267 14 HE1 TRP 2 HE1 TRP 2 -0.609 5.244 -4.085 15 HE3 TRP 2 HE3 TRP 2 -1.086 1.458 -0.396 16 HZ2 TRP 2 HZ2 TRP 2 -0.560 6.291 -1.422 17 HZ3 TRP 2 HZ3 TRP 2 -0.954 3.114 1.441 18 HH2 TRP 2 HH2 TRP 2 -0.691 5.526 0.936 19 H CYS 3 HN CYS 3 2.297 1.617 -3.396 20 HA CYS 3 HA CYS 3 2.634 1.077 -0.508 21 HB2 CYS 3 HB2 CYS 3 4.761 1.478 -2.626 22 HB3 CYS 3 HB1 CYS 3 5.100 1.396 -0.890 23 H GLN 4 HN GLN 4 2.566 2.774 0.768 24 HA GLN 4 HA GLN 4 1.805 5.311 -0.014 25 HB2 GLN 4 HB2 GLN 4 2.742 5.967 2.316 26 HB3 GLN 4 HB1 GLN 4 1.457 4.767 2.252 27 HG2 GLN 4 HG2 GLN 4 4.328 3.896 2.159 28 HG3 GLN 4 HG1 GLN 4 3.597 4.314 3.705 29 HE21 GLN 4 HE21 GLN 4 4.467 1.610 2.729 30 HE22 GLN 4 HE22 GLN 4 3.077 0.636 2.804 31 HA PRO 5 HA PRO 5 5.473 7.254 -1.494 32 HB2 PRO 5 HB2 PRO 5 5.211 9.809 -0.478 33 HB3 PRO 5 HB1 PRO 5 4.341 9.210 -1.902 34 HG2 PRO 5 HG2 PRO 5 3.402 9.499 0.905 35 HG3 PRO 5 HG1 PRO 5 2.539 9.799 -0.614 36 HD2 PRO 5 HD2 PRO 5 2.137 7.555 0.853 37 HD3 PRO 5 HD1 PRO 5 2.010 7.550 -0.912 38 H GLY 6 HN GLY 6 7.581 7.709 -0.838 39 HA2 GLY 6 HA2 GLY 6 9.300 8.227 0.705 40 HA3 GLY 6 HA1 GLY 6 8.133 8.077 2.019 41 H TYR 7 HN TYR 7 7.371 5.539 0.225 42 HA TYR 7 HA TYR 7 9.278 3.730 1.580 43 HB2 TYR 7 HB2 TYR 7 6.373 3.385 0.830 44 HB3 TYR 7 HB1 TYR 7 7.410 2.031 1.254 45 HD1 TYR 7 HD1 TYR 7 6.360 5.399 2.519 46 HD2 TYR 7 HD2 TYR 7 7.650 1.422 3.498 47 HE1 TYR 7 HE1 TYR 7 6.019 5.880 4.928 48 HE2 TYR 7 HE2 TYR 7 7.319 1.905 5.906 49 HH TYR 7 HH TYR 7 7.122 4.830 7.185 50 H ALA 8 HN ALA 8 10.177 2.041 0.398 51 HA ALA 8 HA ALA 8 9.755 2.154 -2.530 52 HB1 ALA 8 HB1 ALA 8 11.888 3.132 -2.138 53 HB2 ALA 8 HB2 ALA 8 12.197 1.485 -2.685 54 HB3 ALA 8 HB3 ALA 8 12.323 1.885 -0.972 55 H TYR 9 HN TYR 9 9.451 0.291 -3.567 56 HA TYR 9 HA TYR 9 8.751 -2.057 -2.200 57 HB2 TYR 9 HB2 TYR 9 7.935 -1.553 -4.452 58 HB3 TYR 9 HB1 TYR 9 9.571 -1.733 -5.088 59 HD1 TYR 9 HD1 TYR 9 6.838 -3.536 -3.312 60 HD2 TYR 9 HD2 TYR 9 10.475 -3.894 -5.581 61 HE1 TYR 9 HE1 TYR 9 6.488 -5.984 -3.492 62 HE2 TYR 9 HE2 TYR 9 10.115 -6.338 -5.760 63 HH TYR 9 HH TYR 9 7.785 -7.873 -5.630 64 H ASN 10 HN ASN 10 9.848 -3.745 -1.480 65 HA ASN 10 HA ASN 10 12.710 -3.935 -2.153 66 HB2 ASN 10 HB2 ASN 10 11.333 -3.986 0.375 67 HB3 ASN 10 HB1 ASN 10 12.207 -5.494 0.118 68 HD21 ASN 10 HD21 ASN 10 14.361 -5.436 0.681 69 HD22 ASN 10 HD22 ASN 10 15.307 -4.035 0.764 70 HA PRO 11 HA PRO 11 11.042 -7.738 -3.973 71 HB2 PRO 11 HB2 PRO 11 13.329 -8.561 -5.246 72 HB3 PRO 11 HB1 PRO 11 12.210 -7.356 -5.906 73 HG2 PRO 11 HG2 PRO 11 14.845 -6.984 -4.625 74 HG3 PRO 11 HG1 PRO 11 14.045 -6.033 -5.886 75 HD2 PRO 11 HD2 PRO 11 14.215 -5.312 -3.206 76 HD3 PRO 11 HD1 PRO 11 13.051 -4.641 -4.365 77 H VAL 12 HN VAL 12 14.007 -7.481 -2.114 78 HA VAL 12 HA VAL 12 14.398 -10.239 -1.594 79 HB VAL 12 HB VAL 12 15.199 -7.764 -0.052 80 HG11 VAL 12 HG11 VAL 12 15.414 -9.279 1.657 81 HG12 VAL 12 HG12 VAL 12 16.905 -9.674 0.804 82 HG13 VAL 12 HG13 VAL 12 15.464 -10.661 0.563 83 HG21 VAL 12 HG21 VAL 12 16.107 -8.718 -2.453 84 HG22 VAL 12 HG22 VAL 12 17.188 -9.539 -1.326 85 HG23 VAL 12 HG23 VAL 12 17.088 -7.779 -1.328 86 H LEU 13 HN LEU 13 12.676 -7.684 0.178 87 HA LEU 13 HA LEU 13 11.731 -9.559 2.188 88 HB2 LEU 13 HB2 LEU 13 11.009 -6.653 1.725 89 HB3 LEU 13 HB1 LEU 13 10.597 -7.605 3.149 90 HG LEU 13 HG LEU 13 13.413 -6.982 2.205 91 HD11 LEU 13 HD11 LEU 13 13.262 -5.819 4.600 92 HD12 LEU 13 HD12 LEU 13 11.552 -5.728 4.179 93 HD13 LEU 13 HD13 LEU 13 12.760 -4.973 3.138 94 HD21 LEU 13 HD21 LEU 13 13.677 -8.980 3.365 95 HD22 LEU 13 HD22 LEU 13 12.260 -8.700 4.378 96 HD23 LEU 13 HD23 LEU 13 13.762 -7.833 4.702 97 H GLY 14 HN GLY 14 10.637 -8.182 -0.799 98 HA2 GLY 14 HA2 GLY 14 8.841 -8.870 -2.113 99 HA3 GLY 14 HA1 GLY 14 8.283 -9.876 -0.779 100 H ILE 15 HN ILE 15 8.920 -6.927 0.522 101 HA ILE 15 HA ILE 15 6.266 -5.804 -0.093 102 HB ILE 15 HB ILE 15 6.031 -5.253 2.363 103 HG12 ILE 15 HG12 ILE 15 7.311 -6.831 3.889 104 HG13 ILE 15 HG11 ILE 15 8.340 -7.224 2.517 105 HG21 ILE 15 HG21 ILE 15 6.102 -8.158 1.506 106 HG22 ILE 15 HG22 ILE 15 4.742 -7.047 1.344 107 HG23 ILE 15 HG23 ILE 15 5.277 -7.559 2.944 108 HD11 ILE 15 HD11 ILE 15 8.968 -5.276 4.246 109 HD12 ILE 15 HD12 ILE 15 7.966 -4.325 3.153 110 HD13 ILE 15 HD13 ILE 15 9.386 -5.171 2.539 111 H CYS 16 HN CYS 16 6.098 -3.521 0.914 112 HA CYS 16 HA CYS 16 8.493 -2.082 0.083 113 HB2 CYS 16 HB2 CYS 16 5.715 -1.146 0.813 114 HB3 CYS 16 HB1 CYS 16 7.033 -0.062 0.387 115 H THR 17 HN THR 17 9.745 -0.816 1.340 116 HA THR 17 HA THR 17 9.140 -0.723 4.234 117 HB THR 17 HB THR 17 11.532 -1.030 4.694 118 HG1 THR 17 HG1 THR 17 11.854 -1.687 1.974 119 HG21 THR 17 HG21 THR 17 10.820 -3.268 2.828 120 HG22 THR 17 HG22 THR 17 9.814 -2.976 4.247 121 HG23 THR 17 HG23 THR 17 11.528 -3.344 4.443 122 H ILE 18 HN ILE 18 10.068 1.101 5.343 123 HA ILE 18 HA ILE 18 9.859 3.514 3.863 124 HB ILE 18 HB ILE 18 9.468 3.068 6.404 125 HG12 ILE 18 HG12 ILE 18 11.010 5.552 5.586 126 HG13 ILE 18 HG11 ILE 18 9.306 5.293 5.217 127 HG21 ILE 18 HG21 ILE 18 11.932 2.257 6.559 128 HG22 ILE 18 HG22 ILE 18 11.318 3.298 7.842 129 HG23 ILE 18 HG23 ILE 18 12.338 3.974 6.573 130 HD11 ILE 18 HD11 ILE 18 9.793 4.754 8.010 131 HD12 ILE 18 HD12 ILE 18 8.704 5.933 7.284 132 HD13 ILE 18 HD13 ILE 18 10.385 6.362 7.595 133 H THR 19 HN THR 19 11.423 4.939 3.163 134 HA THR 19 HA THR 19 14.235 4.231 3.560 135 HB THR 19 HB THR 19 13.574 3.070 1.495 136 HG1 THR 19 HG1 THR 19 15.388 3.661 0.615 137 HG21 THR 19 HG21 THR 19 13.226 5.387 -0.184 138 HG22 THR 19 HG22 THR 19 12.019 5.391 1.099 139 HG23 THR 19 HG23 THR 19 12.157 4.001 0.025 140 H LEU 20 HN LEU 20 15.650 5.964 3.361 141 HA LEU 20 HA LEU 20 14.450 8.600 2.789 142 HB2 LEU 20 HB2 LEU 20 15.965 9.458 4.670 143 HB3 LEU 20 HB1 LEU 20 14.509 8.597 5.152 144 HG LEU 20 HG LEU 20 17.190 7.223 4.822 145 HD11 LEU 20 HD11 LEU 20 15.962 8.320 7.368 146 HD12 LEU 20 HD12 LEU 20 17.344 9.020 6.526 147 HD13 LEU 20 HD13 LEU 20 17.470 7.415 7.246 148 HD21 LEU 20 HD21 LEU 20 14.484 6.363 5.521 149 HD22 LEU 20 HD22 LEU 20 15.641 5.962 6.788 150 HD23 LEU 20 HD23 LEU 20 15.904 5.391 5.142 151 H SER 21 HN SER 21 16.028 6.939 1.062 152 HA SER 21 HA SER 21 18.764 7.651 1.056 153 HB2 SER 21 HB2 SER 21 17.946 5.770 -0.258 154 HB3 SER 21 HB1 SER 21 16.946 6.848 -1.227 155 HG SER 21 HG SER 21 19.772 6.711 -1.072 156 H ARG 22 HN ARG 22 19.865 9.334 0.154 157 HA ARG 22 HA ARG 22 18.482 11.792 -0.248 158 HB2 ARG 22 HB2 ARG 22 20.776 11.699 0.638 159 HB3 ARG 22 HB1 ARG 22 21.345 11.057 -0.904 160 HG2 ARG 22 HG2 ARG 22 20.686 13.090 -2.060 161 HG3 ARG 22 HG1 ARG 22 19.929 13.721 -0.596 162 HD2 ARG 22 HD2 ARG 22 22.872 13.043 -0.818 163 HD3 ARG 22 HD1 ARG 22 22.216 14.662 -1.043 164 HE ARG 22 HE ARG 22 21.286 13.715 1.423 165 HH11 ARG 22 HH11 ARG 22 22.341 14.335 3.337 166 HH12 ARG 22 HH12 ARG 22 23.982 14.884 3.276 167 HH21 ARG 22 HH21 ARG 22 24.258 14.510 -0.161 168 HH22 ARG 22 HH22 ARG 22 25.067 14.983 1.297 Start of MODEL 20 1 H GLN 1 HN GLN 1 0.507 -5.067 -5.244 2 HA GLN 1 HA GLN 1 2.586 -5.078 -3.159 3 HB2 GLN 1 HB2 GLN 1 2.755 -4.800 -6.167 4 HB3 GLN 1 HB1 GLN 1 4.143 -4.697 -5.083 5 HG2 GLN 1 HG2 GLN 1 3.666 -6.965 -4.246 6 HG3 GLN 1 HG1 GLN 1 2.272 -7.073 -5.319 7 HE21 GLN 1 HE21 GLN 1 2.968 -8.634 -6.830 8 HE22 GLN 1 HE22 GLN 1 4.385 -8.488 -7.754 9 H TRP 2 HN TRP 2 0.346 -3.091 -3.515 10 HA TRP 2 HA TRP 2 1.490 -0.632 -4.404 11 HB2 TRP 2 HB2 TRP 2 -0.931 -0.965 -4.354 12 HB3 TRP 2 HB1 TRP 2 -0.887 -1.156 -2.602 13 HD1 TRP 2 HD1 TRP 2 -0.472 1.466 -5.352 14 HE1 TRP 2 HE1 TRP 2 -0.631 3.811 -4.290 15 HE3 TRP 2 HE3 TRP 2 -0.570 0.191 -0.408 16 HZ2 TRP 2 HZ2 TRP 2 -0.781 4.989 -1.686 17 HZ3 TRP 2 HZ3 TRP 2 -0.721 1.941 1.340 18 HH2 TRP 2 HH2 TRP 2 -0.824 4.335 0.708 19 H CYS 3 HN CYS 3 2.654 0.859 -3.345 20 HA CYS 3 HA CYS 3 3.157 0.432 -0.456 21 HB2 CYS 3 HB2 CYS 3 5.026 1.544 -2.564 22 HB3 CYS 3 HB1 CYS 3 5.378 1.465 -0.840 23 H GLN 4 HN GLN 4 3.295 2.252 0.855 24 HA GLN 4 HA GLN 4 1.682 4.484 0.076 25 HB2 GLN 4 HB2 GLN 4 2.799 5.264 2.427 26 HB3 GLN 4 HB1 GLN 4 1.396 4.200 2.327 27 HG2 GLN 4 HG2 GLN 4 4.202 3.101 2.274 28 HG3 GLN 4 HG1 GLN 4 3.392 3.454 3.799 29 HE21 GLN 4 HE21 GLN 4 4.142 0.770 2.710 30 HE22 GLN 4 HE22 GLN 4 2.689 -0.102 2.602 31 HA PRO 5 HA PRO 5 4.764 7.212 -1.460 32 HB2 PRO 5 HB2 PRO 5 4.172 9.582 -0.140 33 HB3 PRO 5 HB1 PRO 5 3.319 8.984 -1.574 34 HG2 PRO 5 HG2 PRO 5 2.545 8.829 1.294 35 HG3 PRO 5 HG1 PRO 5 1.537 9.101 -0.139 36 HD2 PRO 5 HD2 PRO 5 1.628 6.697 1.105 37 HD3 PRO 5 HD1 PRO 5 1.413 6.827 -0.649 38 H GLY 6 HN GLY 6 6.856 7.737 -0.981 39 HA2 GLY 6 HA2 GLY 6 8.671 8.412 0.368 40 HA3 GLY 6 HA1 GLY 6 7.660 8.204 1.797 41 H TYR 7 HN TYR 7 6.933 5.552 0.179 42 HA TYR 7 HA TYR 7 9.147 3.962 1.337 43 HB2 TYR 7 HB2 TYR 7 6.211 3.334 1.018 44 HB3 TYR 7 HB1 TYR 7 7.413 2.102 1.373 45 HD1 TYR 7 HD1 TYR 7 6.101 5.388 2.601 46 HD2 TYR 7 HD2 TYR 7 8.114 1.725 3.576 47 HE1 TYR 7 HE1 TYR 7 6.005 5.972 5.010 48 HE2 TYR 7 HE2 TYR 7 8.033 2.307 5.978 49 HH TYR 7 HH TYR 7 6.161 4.124 7.359 50 H ALA 8 HN ALA 8 10.095 2.388 0.107 51 HA ALA 8 HA ALA 8 9.341 2.323 -2.751 52 HB1 ALA 8 HB1 ALA 8 11.804 1.284 -2.785 53 HB2 ALA 8 HB2 ALA 8 11.949 2.251 -1.318 54 HB3 ALA 8 HB3 ALA 8 11.524 3.023 -2.845 55 H TYR 9 HN TYR 9 8.729 0.431 -3.633 56 HA TYR 9 HA TYR 9 8.114 -1.795 -2.004 57 HB2 TYR 9 HB2 TYR 9 6.893 -1.338 -4.070 58 HB3 TYR 9 HB1 TYR 9 8.357 -1.626 -5.014 59 HD1 TYR 9 HD1 TYR 9 5.982 -3.231 -2.628 60 HD2 TYR 9 HD2 TYR 9 9.012 -3.834 -5.621 61 HE1 TYR 9 HE1 TYR 9 5.487 -5.660 -2.641 62 HE2 TYR 9 HE2 TYR 9 8.510 -6.260 -5.632 63 HH TYR 9 HH TYR 9 6.772 -7.783 -5.050 64 H ASN 10 HN ASN 10 9.239 -3.542 -1.435 65 HA ASN 10 HA ASN 10 11.908 -3.913 -2.627 66 HB2 ASN 10 HB2 ASN 10 10.943 -3.992 0.127 67 HB3 ASN 10 HB1 ASN 10 11.909 -5.395 -0.324 68 HD21 ASN 10 HD21 ASN 10 14.124 -5.130 -0.289 69 HD22 ASN 10 HD22 ASN 10 14.918 -3.636 -0.264 70 HA PRO 11 HA PRO 11 9.767 -7.679 -3.983 71 HB2 PRO 11 HB2 PRO 11 11.702 -8.589 -5.698 72 HB3 PRO 11 HB1 PRO 11 10.514 -7.347 -6.128 73 HG2 PRO 11 HG2 PRO 11 13.372 -7.068 -5.431 74 HG3 PRO 11 HG1 PRO 11 12.364 -6.098 -6.517 75 HD2 PRO 11 HD2 PRO 11 13.114 -5.365 -3.937 76 HD3 PRO 11 HD1 PRO 11 11.767 -4.651 -4.846 77 H VAL 12 HN VAL 12 13.100 -7.498 -2.871 78 HA VAL 12 HA VAL 12 13.504 -10.254 -2.362 79 HB VAL 12 HB VAL 12 14.743 -7.776 -1.153 80 HG11 VAL 12 HG11 VAL 12 15.192 -9.346 0.509 81 HG12 VAL 12 HG12 VAL 12 16.556 -9.607 -0.577 82 HG13 VAL 12 HG13 VAL 12 15.171 -10.699 -0.623 83 HG21 VAL 12 HG21 VAL 12 16.373 -9.601 -2.761 84 HG22 VAL 12 HG22 VAL 12 16.171 -7.854 -2.907 85 HG23 VAL 12 HG23 VAL 12 15.007 -8.945 -3.661 86 H LEU 13 HN LEU 13 12.378 -7.585 -0.295 87 HA LEU 13 HA LEU 13 11.918 -9.350 1.957 88 HB2 LEU 13 HB2 LEU 13 11.092 -6.467 1.540 89 HB3 LEU 13 HB1 LEU 13 11.047 -7.344 3.064 90 HG LEU 13 HG LEU 13 13.546 -6.785 1.433 91 HD11 LEU 13 HD11 LEU 13 13.855 -5.575 3.873 92 HD12 LEU 13 HD12 LEU 13 12.136 -5.330 3.575 93 HD13 LEU 13 HD13 LEU 13 13.325 -4.748 2.409 94 HD21 LEU 13 HD21 LEU 13 14.094 -8.726 2.593 95 HD22 LEU 13 HD22 LEU 13 12.965 -8.386 3.905 96 HD23 LEU 13 HD23 LEU 13 14.494 -7.513 3.810 97 H GLY 14 HN GLY 14 10.111 -8.039 -0.712 98 HA2 GLY 14 HA2 GLY 14 8.057 -8.769 -1.533 99 HA3 GLY 14 HA1 GLY 14 7.857 -9.753 -0.087 100 H ILE 15 HN ILE 15 8.742 -6.717 0.911 101 HA ILE 15 HA ILE 15 5.966 -5.724 1.012 102 HB ILE 15 HB ILE 15 6.445 -4.998 3.395 103 HG12 ILE 15 HG12 ILE 15 8.160 -6.435 4.569 104 HG13 ILE 15 HG11 ILE 15 8.736 -6.953 2.988 105 HG21 ILE 15 HG21 ILE 15 6.045 -7.344 4.277 106 HG22 ILE 15 HG22 ILE 15 6.271 -7.917 2.625 107 HG23 ILE 15 HG23 ILE 15 4.943 -6.821 3.004 108 HD11 ILE 15 HD11 ILE 15 9.846 -4.890 4.253 109 HD12 ILE 15 HD12 ILE 15 8.516 -4.010 3.507 110 HD13 ILE 15 HD13 ILE 15 9.666 -4.891 2.502 111 H CYS 16 HN CYS 16 5.978 -3.400 1.952 112 HA CYS 16 HA CYS 16 7.848 -1.868 0.317 113 HB2 CYS 16 HB2 CYS 16 5.579 -0.889 2.070 114 HB3 CYS 16 HB1 CYS 16 6.407 0.021 0.807 115 H THR 17 HN THR 17 9.488 -0.596 1.097 116 HA THR 17 HA THR 17 9.774 -0.369 4.040 117 HB THR 17 HB THR 17 12.195 -0.680 3.785 118 HG1 THR 17 HG1 THR 17 12.600 -0.061 1.739 119 HG21 THR 17 HG21 THR 17 11.070 -3.030 2.342 120 HG22 THR 17 HG22 THR 17 10.353 -2.617 3.900 121 HG23 THR 17 HG23 THR 17 12.075 -2.974 3.790 122 H ILE 18 HN ILE 18 10.933 1.403 4.799 123 HA ILE 18 HA ILE 18 10.453 3.822 3.353 124 HB ILE 18 HB ILE 18 10.594 3.190 5.957 125 HG12 ILE 18 HG12 ILE 18 9.618 5.242 5.076 126 HG13 ILE 18 HG11 ILE 18 10.691 5.624 6.413 127 HG21 ILE 18 HG21 ILE 18 13.090 2.849 5.716 128 HG22 ILE 18 HG22 ILE 18 12.589 3.946 7.000 129 HG23 ILE 18 HG23 ILE 18 13.229 4.595 5.491 130 HD11 ILE 18 HD11 ILE 18 11.010 6.203 3.506 131 HD12 ILE 18 HD12 ILE 18 12.470 5.894 4.445 132 HD13 ILE 18 HD13 ILE 18 11.394 7.209 4.899 133 H THR 19 HN THR 19 11.885 5.175 2.355 134 HA THR 19 HA THR 19 14.729 4.475 2.304 135 HB THR 19 HB THR 19 13.677 3.275 0.395 136 HG1 THR 19 HG1 THR 19 15.565 5.279 0.184 137 HG21 THR 19 HG21 THR 19 11.839 4.987 0.106 138 HG22 THR 19 HG22 THR 19 12.628 4.494 -1.393 139 HG23 THR 19 HG23 THR 19 13.035 6.041 -0.653 140 H LEU 20 HN LEU 20 16.082 6.213 1.728 141 HA LEU 20 HA LEU 20 14.883 8.770 1.047 142 HB2 LEU 20 HB2 LEU 20 15.826 9.942 2.979 143 HB3 LEU 20 HB1 LEU 20 14.674 8.715 3.493 144 HG LEU 20 HG LEU 20 17.688 8.336 3.437 145 HD11 LEU 20 HD11 LEU 20 15.877 9.536 5.396 146 HD12 LEU 20 HD12 LEU 20 17.639 9.569 5.325 147 HD13 LEU 20 HD13 LEU 20 16.813 8.197 6.061 148 HD21 LEU 20 HD21 LEU 20 16.776 6.443 5.108 149 HD22 LEU 20 HD22 LEU 20 16.914 6.159 3.374 150 HD23 LEU 20 HD23 LEU 20 15.354 6.580 4.078 151 H SER 21 HN SER 21 16.565 10.466 0.736 152 HA SER 21 HA SER 21 18.599 9.552 -0.976 153 HB2 SER 21 HB2 SER 21 17.657 11.804 -1.139 154 HB3 SER 21 HB1 SER 21 18.333 12.216 0.434 155 HG SER 21 HG SER 21 20.290 12.302 -0.417 156 H ARG 22 HN ARG 22 18.716 10.644 2.401 157 HA ARG 22 HA ARG 22 20.334 10.441 4.019 158 HB2 ARG 22 HB2 ARG 22 19.998 8.035 3.585 159 HB3 ARG 22 HB1 ARG 22 21.214 8.099 2.311 160 HG2 ARG 22 HG2 ARG 22 22.933 8.729 3.916 161 HG3 ARG 22 HG1 ARG 22 21.734 8.826 5.207 162 HD2 ARG 22 HD2 ARG 22 21.263 6.430 4.977 163 HD3 ARG 22 HD1 ARG 22 22.405 6.318 3.641 164 HE ARG 22 HE ARG 22 24.153 6.367 5.186 165 HH11 ARG 22 HH11 ARG 22 24.963 6.306 7.307 166 HH12 ARG 22 HH12 ARG 22 23.912 6.657 8.640 167 HH21 ARG 22 HH21 ARG 22 21.132 7.220 6.643 168 HH22 ARG 22 HH22 ARG 22 21.744 7.175 8.264
Contact the webmaster for help, if required. Sunday, July 7, 2024 12:48:35 PM GMT (wattos1)