NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
16175 | 1znu | 6627 | cing | 1-original | 8 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H CYS 1 H CYS 1 4.254 -1.858 -3.058 2 HA CYS 1 HA CYS 1 4.116 -4.190 -1.316 3 1HB CYS 1 1HB CYS 1 2.238 -1.893 -1.843 4 2HB CYS 1 2HB CYS 1 1.694 -3.360 -1.052 5 H GLY 2 H GLY 2 2.698 -2.686 -4.298 6 1HA GLY 2 1HA GLY 2 2.212 -3.811 -6.255 7 2HA GLY 2 2HA GLY 2 2.301 -5.349 -5.420 8 H GLU 3 H GLU 3 0.568 -3.871 -3.180 9 HA GLU 3 HA GLU 3 -1.903 -4.741 -4.365 10 1HB GLU 3 1HB GLU 3 -0.942 -5.183 -1.915 11 2HB GLU 3 2HB GLU 3 -1.697 -3.642 -1.562 12 1HG GLU 3 1HG GLU 3 -3.876 -4.483 -2.397 13 2HG GLU 3 2HG GLU 3 -3.139 -6.005 -2.855 14 H THR 4 H THR 4 -3.936 -3.365 -3.962 15 HA THR 4 HA THR 4 -3.256 -0.511 -4.244 16 HB THR 4 HB THR 4 -5.200 -0.440 -5.850 17 HG1 THR 4 1HG THR 4 -5.992 -2.629 -6.434 18 1HG2 THR 4 1HG2 THR 4 -2.817 -2.231 -6.330 19 2HG2 THR 4 2HG2 THR 4 -4.151 -2.301 -7.506 20 3HG2 THR 4 3HG2 THR 4 -3.313 -0.761 -7.202 21 H CYS 5 H CYS 5 -4.339 0.940 -3.005 22 HA CYS 5 HA CYS 5 -6.248 -0.254 -1.143 23 1HB CYS 5 1HB CYS 5 -5.679 1.394 0.422 24 2HB CYS 5 2HB CYS 5 -4.164 0.826 -0.251 25 H VAL 6 H VAL 6 -7.312 0.118 -3.644 26 HA VAL 6 HA VAL 6 -8.219 2.678 -4.245 27 HB VAL 6 HB VAL 6 -9.206 -0.099 -4.870 28 1HG1 VAL 6 1HG1 VAL 6 -11.153 1.400 -4.896 29 2HG1 VAL 6 2HG1 VAL 6 -10.288 2.511 -5.985 30 3HG1 VAL 6 3HG1 VAL 6 -10.716 0.875 -6.540 31 1HG2 VAL 6 1HG2 VAL 6 -8.439 0.730 -7.209 32 2HG2 VAL 6 2HG2 VAL 6 -7.570 1.991 -6.302 33 3HG2 VAL 6 3HG2 VAL 6 -7.203 0.274 -6.011 34 H GLY 7 H GLY 7 -9.146 0.392 -1.754 35 1HA GLY 7 1HA GLY 7 -11.775 1.523 -1.343 36 2HA GLY 7 2HA GLY 7 -10.971 0.295 -0.387 37 H GLY 8 H GLY 8 -8.426 1.928 -0.123 38 1HA GLY 8 1HA GLY 8 -8.053 4.163 0.790 39 2HA GLY 8 2HA GLY 8 -9.466 3.925 1.799 40 H THR 9 H THR 9 -7.721 0.983 1.360 41 HA THR 9 HA THR 9 -5.892 1.443 3.558 42 HB THR 9 HB THR 9 -8.191 -0.573 3.761 43 HG1 THR 9 1HG THR 9 -9.029 1.476 4.243 44 1HG2 THR 9 1HG2 THR 9 -6.033 0.337 5.737 45 2HG2 THR 9 2HG2 THR 9 -7.423 -0.694 6.154 46 3HG2 THR 9 3HG2 THR 9 -6.177 -1.291 5.031 47 H CYS 10 H CYS 10 -4.560 -0.570 3.997 48 HA CYS 10 HA CYS 10 -4.273 -2.016 1.464 49 1HB CYS 10 1HB CYS 10 -2.141 -1.065 3.384 50 2HB CYS 10 2HB CYS 10 -1.845 -2.219 2.099 51 H ASN 11 H ASN 11 -3.958 -4.296 1.631 52 HA ASN 11 HA ASN 11 -4.784 -5.351 4.168 53 1HB ASN 11 1HB ASN 11 -5.598 -6.093 1.777 54 2HB ASN 11 2HB ASN 11 -4.084 -6.969 1.678 55 1HD2 ASN 11 1HD2 ASN 11 -7.070 -7.624 2.000 56 2HD2 ASN 11 2HD2 ASN 11 -7.124 -8.827 3.245 57 H THR 12 H THR 12 -2.006 -5.379 1.867 58 HA THR 12 HA THR 12 -0.475 -7.335 3.182 59 HB THR 12 HB THR 12 0.179 -5.009 1.305 60 HG1 THR 12 1HG THR 12 -1.172 -6.867 0.600 61 1HG2 THR 12 1HG2 THR 12 1.922 -7.460 1.728 62 2HG2 THR 12 2HG2 THR 12 2.354 -5.900 0.988 63 3HG2 THR 12 3HG2 THR 12 2.163 -6.026 2.753 64 HA PRO 13 HA PRO 13 0.633 -5.451 6.709 65 1HB PRO 13 1HB PRO 13 2.852 -6.877 7.468 66 2HB PRO 13 2HB PRO 13 1.170 -7.488 7.619 67 1HG PRO 13 1HG PRO 13 3.250 -8.078 5.514 68 2HG PRO 13 2HG PRO 13 1.942 -9.126 6.157 69 1HD PRO 13 1HD PRO 13 1.835 -7.803 3.700 70 2HD PRO 13 2HD PRO 13 0.390 -8.324 4.631 71 H GLY 14 H GLY 14 1.493 -3.578 7.461 72 1HA GLY 14 1HA GLY 14 3.028 -1.932 7.684 73 2HA GLY 14 2HA GLY 14 4.222 -2.942 6.895 74 H CYS 15 H CYS 15 1.280 -2.720 5.085 75 HA CYS 15 HA CYS 15 2.632 -0.950 3.217 76 1HB CYS 15 1HB CYS 15 0.317 -2.863 2.942 77 2HB CYS 15 2HB CYS 15 0.706 -1.687 1.703 78 H THR 16 H THR 16 1.950 1.164 2.950 79 HA THR 16 HA THR 16 -0.396 1.984 4.495 80 HB THR 16 HB THR 16 0.627 4.252 4.198 81 HG1 THR 16 1HG THR 16 2.320 4.398 2.719 82 1HG2 THR 16 1HG2 THR 16 2.798 3.872 5.344 83 2HG2 THR 16 2HG2 THR 16 1.545 2.832 6.064 84 3HG2 THR 16 3HG2 THR 16 2.728 2.143 4.926 85 H CYS 17 H CYS 17 -2.024 3.377 3.598 86 HA CYS 17 HA CYS 17 -2.720 2.524 0.971 87 1HB CYS 17 1HB CYS 17 -4.411 2.749 2.701 88 2HB CYS 17 2HB CYS 17 -4.054 4.456 2.878 89 H SER 18 H SER 18 -1.143 3.402 -0.472 90 HA SER 18 HA SER 18 -1.015 6.300 -0.517 91 1HB SER 18 1HB SER 18 1.172 5.492 -0.708 92 2HB SER 18 2HB SER 18 0.689 4.077 -1.623 93 HG SER 18 HG SER 18 1.468 6.575 -2.530 94 H TRP 19 H TRP 19 -3.419 6.144 -1.216 95 HA TRP 19 HA TRP 19 -4.455 4.809 -3.261 96 1HB TRP 19 1HB TRP 19 -5.222 6.957 -1.746 97 2HB TRP 19 2HB TRP 19 -5.190 7.653 -3.354 98 HD1 TRP 19 HD TRP 19 -7.031 4.913 -1.346 99 HE1 TRP 19 1HE TRP 19 -9.287 4.221 -2.527 100 HE3 TRP 19 3HE TRP 19 -6.250 7.611 -5.584 101 HZ2 TRP 19 2HZ TRP 19 -10.466 4.866 -5.045 102 HZ3 TRP 19 3HZ TRP 19 -8.003 7.526 -7.355 103 HH2 TRP 19 HH TRP 19 -10.054 6.214 -7.137 104 HA PRO 20 HA PRO 20 -5.550 4.815 -4.818 105 1HB PRO 20 1HB PRO 20 -5.644 3.528 -7.228 106 2HB PRO 20 2HB PRO 20 -6.469 5.043 -6.917 107 1HG PRO 20 1HG PRO 20 -3.997 4.562 -8.465 108 2HG PRO 20 2HG PRO 20 -5.055 5.958 -8.493 109 1HD PRO 20 1HD PRO 20 -2.505 5.763 -7.194 110 2HD PRO 20 2HD PRO 20 -3.615 7.117 -7.126 111 H VAL 21 H VAL 21 -2.334 4.105 -5.318 112 HA VAL 21 HA VAL 21 -2.817 1.234 -5.060 113 HB VAL 21 HB VAL 21 -1.380 2.305 -6.889 114 1HG1 VAL 21 1HG1 VAL 21 0.898 2.255 -4.960 115 2HG1 VAL 21 2HG1 VAL 21 0.663 3.223 -6.436 116 3HG1 VAL 21 3HG1 VAL 21 -0.174 3.676 -4.932 117 1HG2 VAL 21 1HG2 VAL 21 -0.350 0.304 -7.148 118 2HG2 VAL 21 2HG2 VAL 21 0.328 0.316 -5.502 119 3HG2 VAL 21 3HG2 VAL 21 -1.366 -0.162 -5.762 120 H CYS 22 H CYS 22 -0.719 0.234 -3.756 121 HA CYS 22 HA CYS 22 -0.957 1.510 -1.145 122 1HB CYS 22 1HB CYS 22 -0.366 -1.303 -2.028 123 2HB CYS 22 2HB CYS 22 0.064 -0.759 -0.419 124 H THR 23 H THR 23 1.166 1.212 0.245 125 HA THR 23 HA THR 23 3.581 1.321 -1.376 126 HB THR 23 HB THR 23 4.045 3.522 0.115 127 HG1 THR 23 1HG THR 23 1.799 3.138 1.032 128 1HG2 THR 23 1HG2 THR 23 2.887 4.916 -1.727 129 2HG2 THR 23 2HG2 THR 23 4.096 3.742 -2.301 130 3HG2 THR 23 3HG2 THR 23 2.360 3.368 -2.431 131 H ARG 24 H ARG 24 5.572 1.401 0.046 132 HA ARG 24 HA ARG 24 4.967 0.200 2.618 133 1HB ARG 24 1HB ARG 24 5.537 -1.730 1.335 134 2HB ARG 24 2HB ARG 24 6.762 -0.877 0.417 135 1HG ARG 24 1HG ARG 24 8.382 -1.230 2.001 136 2HG ARG 24 2HG ARG 24 7.295 -0.886 3.333 137 1HD ARG 24 1HD ARG 24 7.192 -3.115 3.756 138 2HD ARG 24 2HD ARG 24 6.343 -3.326 2.238 139 HE ARG 24 HE ARG 24 8.974 -3.206 1.427 140 1HH1 ARG 24 2HH2 ARG 24 7.302 -5.113 3.866 141 2HH1 ARG 24 1HH2 ARG 24 8.383 -6.461 3.737 142 1HH2 ARG 24 2HH1 ARG 24 10.399 -4.983 1.255 143 2HH2 ARG 24 1HH1 ARG 24 10.156 -6.386 2.241 144 H ASN 25 H ASN 25 5.960 1.414 4.198 145 HA ASN 25 HA ASN 25 7.343 2.736 5.215 146 1HB ASN 25 1HB ASN 25 9.270 1.406 3.270 147 2HB ASN 25 2HB ASN 25 9.851 2.661 4.346 148 1HD2 ASN 25 1HD2 ASN 25 10.285 -0.303 4.138 149 2HD2 ASN 25 2HD2 ASN 25 10.006 -0.936 5.725 150 H GLY 26 H GLY 26 5.908 3.569 2.629 151 1HA GLY 26 1HA GLY 26 5.657 5.633 1.679 152 2HA GLY 26 2HA GLY 26 7.199 6.144 2.335 153 H LEU 27 H LEU 27 6.984 3.053 0.614 154 HA LEU 27 HA LEU 27 7.909 4.282 -1.851 155 1HB LEU 27 1HB LEU 27 9.518 2.114 -0.510 156 2HB LEU 27 2HB LEU 27 9.897 2.973 -1.989 157 HG LEU 27 HG LEU 27 9.670 4.427 0.645 158 1HD1 LEU 27 1HD1 LEU 27 11.842 3.978 1.262 159 2HD1 LEU 27 2HD1 LEU 27 11.332 2.405 0.604 160 3HD1 LEU 27 3HD1 LEU 27 12.331 3.500 -0.382 161 1HD2 LEU 27 1HD2 LEU 27 9.903 5.376 -1.897 162 2HD2 LEU 27 2HD2 LEU 27 10.462 6.228 -0.437 163 3HD2 LEU 27 3HD2 LEU 27 11.611 5.275 -1.406 164 HA PRO 28 HA PRO 28 5.059 1.448 -3.106 165 1HB PRO 28 1HB PRO 28 5.286 1.674 -5.832 166 2HB PRO 28 2HB PRO 28 4.415 2.858 -4.799 167 1HG PRO 28 1HG PRO 28 7.192 3.004 -5.971 168 2HG PRO 28 2HG PRO 28 6.025 4.323 -5.622 169 1HD PRO 28 1HD PRO 28 8.233 3.710 -4.025 170 2HD PRO 28 2HD PRO 28 6.761 4.552 -3.433 171 H VAL 29 H VAL 29 5.864 -0.494 -2.212 172 HA VAL 29 HA VAL 29 6.864 -2.227 -4.324 173 HB VAL 29 HB VAL 29 8.654 -3.080 -2.934 174 1HG1 VAL 29 1HG1 VAL 29 10.177 -1.143 -3.022 175 2HG1 VAL 29 2HG1 VAL 29 9.175 -1.263 -4.488 176 3HG1 VAL 29 3HG1 VAL 29 8.781 -0.060 -3.236 177 1HG2 VAL 29 1HG2 VAL 29 8.286 -0.826 -0.970 178 2HG2 VAL 29 2HG2 VAL 29 7.409 -2.361 -0.759 179 3HG2 VAL 29 3HG2 VAL 29 9.189 -2.349 -0.790 Start of MODEL 2 1 H CYS 1 H CYS 1 4.266 -1.912 -3.018 2 HA CYS 1 HA CYS 1 4.056 -4.241 -1.280 3 1HB CYS 1 1HB CYS 1 2.221 -1.914 -1.830 4 2HB CYS 1 2HB CYS 1 1.662 -3.362 -1.016 5 H GLY 2 H GLY 2 2.729 -2.705 -4.284 6 1HA GLY 2 1HA GLY 2 2.220 -3.810 -6.242 7 2HA GLY 2 2HA GLY 2 2.276 -5.353 -5.413 8 H GLU 3 H GLU 3 0.553 -3.910 -3.169 9 HA GLU 3 HA GLU 3 -1.924 -4.702 -4.389 10 1HB GLU 3 1HB GLU 3 -0.990 -5.206 -1.940 11 2HB GLU 3 2HB GLU 3 -1.719 -3.657 -1.565 12 1HG GLU 3 1HG GLU 3 -3.908 -4.443 -2.430 13 2HG GLU 3 2HG GLU 3 -3.195 -5.970 -2.911 14 H THR 4 H THR 4 -3.935 -3.298 -3.980 15 HA THR 4 HA THR 4 -3.207 -0.450 -4.182 16 HB THR 4 HB THR 4 -5.140 -0.322 -5.820 17 HG1 THR 4 1HG THR 4 -4.821 -3.230 -5.708 18 1HG2 THR 4 1HG2 THR 4 -4.014 -2.072 -7.536 19 2HG2 THR 4 2HG2 THR 4 -3.202 -0.542 -7.125 20 3HG2 THR 4 3HG2 THR 4 -2.715 -2.054 -6.320 21 H CYS 5 H CYS 5 -4.366 1.010 -2.998 22 HA CYS 5 HA CYS 5 -6.293 -0.216 -1.174 23 1HB CYS 5 1HB CYS 5 -5.780 1.442 0.407 24 2HB CYS 5 2HB CYS 5 -4.247 0.872 -0.222 25 H VAL 6 H VAL 6 -7.358 0.125 -3.651 26 HA VAL 6 HA VAL 6 -8.254 2.675 -4.307 27 HB VAL 6 HB VAL 6 -9.134 -0.130 -4.903 28 1HG1 VAL 6 1HG1 VAL 6 -11.237 0.997 -4.871 29 2HG1 VAL 6 2HG1 VAL 6 -10.568 2.416 -5.711 30 3HG1 VAL 6 3HG1 VAL 6 -10.748 0.872 -6.578 31 1HG2 VAL 6 1HG2 VAL 6 -8.605 0.833 -7.276 32 2HG2 VAL 6 2HG2 VAL 6 -7.754 2.107 -6.370 33 3HG2 VAL 6 3HG2 VAL 6 -7.270 0.405 -6.180 34 H GLY 7 H GLY 7 -9.222 0.416 -1.794 35 1HA GLY 7 1HA GLY 7 -11.825 1.619 -1.397 36 2HA GLY 7 2HA GLY 7 -11.066 0.357 -0.446 37 H GLY 8 H GLY 8 -8.475 1.891 -0.140 38 1HA GLY 8 1HA GLY 8 -8.022 4.095 0.793 39 2HA GLY 8 2HA GLY 8 -9.457 3.915 1.783 40 H THR 9 H THR 9 -7.730 0.938 1.313 41 HA THR 9 HA THR 9 -5.989 1.325 3.594 42 HB THR 9 HB THR 9 -8.232 -0.757 3.654 43 HG1 THR 9 1HG THR 9 -9.145 1.331 3.959 44 1HG2 THR 9 1HG2 THR 9 -7.612 -0.585 6.174 45 2HG2 THR 9 2HG2 THR 9 -6.461 -1.459 5.135 46 3HG2 THR 9 3HG2 THR 9 -6.118 0.216 5.631 47 H CYS 10 H CYS 10 -4.632 -0.654 3.998 48 HA CYS 10 HA CYS 10 -4.296 -2.078 1.457 49 1HB CYS 10 1HB CYS 10 -2.173 -1.083 3.367 50 2HB CYS 10 2HB CYS 10 -1.864 -2.197 2.049 51 H ASN 11 H ASN 11 -3.864 -4.347 1.637 52 HA ASN 11 HA ASN 11 -4.675 -5.422 4.171 53 1HB ASN 11 1HB ASN 11 -4.027 -6.763 1.492 54 2HB ASN 11 2HB ASN 11 -4.644 -7.618 2.892 55 1HD2 ASN 11 1HD2 ASN 11 -5.909 -7.553 0.412 56 2HD2 ASN 11 2HD2 ASN 11 -7.428 -6.732 0.545 57 H THR 12 H THR 12 -1.923 -5.579 1.806 58 HA THR 12 HA THR 12 -0.321 -7.384 3.177 59 HB THR 12 HB THR 12 0.296 -5.036 1.313 60 HG1 THR 12 1HG THR 12 0.499 -7.060 -0.081 61 1HG2 THR 12 1HG2 THR 12 2.058 -7.476 1.723 62 2HG2 THR 12 2HG2 THR 12 2.478 -5.911 0.986 63 3HG2 THR 12 3HG2 THR 12 2.288 -6.042 2.751 64 HA PRO 13 HA PRO 13 0.700 -5.457 6.708 65 1HB PRO 13 1HB PRO 13 2.949 -6.823 7.493 66 2HB PRO 13 2HB PRO 13 1.281 -7.477 7.631 67 1HG PRO 13 1HG PRO 13 3.396 -8.021 5.548 68 2HG PRO 13 2HG PRO 13 2.109 -9.100 6.183 69 1HD PRO 13 1HD PRO 13 1.990 -7.790 3.720 70 2HD PRO 13 2HD PRO 13 0.550 -8.345 4.640 71 H GLY 14 H GLY 14 1.504 -3.559 7.458 72 1HA GLY 14 1HA GLY 14 2.998 -1.876 7.692 73 2HA GLY 14 2HA GLY 14 4.222 -2.856 6.909 74 H CYS 15 H CYS 15 1.287 -2.715 5.081 75 HA CYS 15 HA CYS 15 2.605 -0.926 3.211 76 1HB CYS 15 1HB CYS 15 0.302 -2.857 2.949 77 2HB CYS 15 2HB CYS 15 0.692 -1.690 1.700 78 H THR 16 H THR 16 1.926 1.189 2.989 79 HA THR 16 HA THR 16 -0.434 1.985 4.517 80 HB THR 16 HB THR 16 0.576 4.196 4.422 81 HG1 THR 16 1HG THR 16 2.529 2.975 2.623 82 1HG2 THR 16 1HG2 THR 16 2.788 3.859 5.324 83 2HG2 THR 16 2HG2 THR 16 1.866 2.420 5.820 84 3HG2 THR 16 3HG2 THR 16 2.990 2.326 4.443 85 H CYS 17 H CYS 17 -2.018 3.470 3.604 86 HA CYS 17 HA CYS 17 -2.730 2.577 0.979 87 1HB CYS 17 1HB CYS 17 -4.430 2.776 2.698 88 2HB CYS 17 2HB CYS 17 -4.080 4.481 2.904 89 H SER 18 H SER 18 -1.161 3.475 -0.458 90 HA SER 18 HA SER 18 -1.063 6.375 -0.490 91 1HB SER 18 1HB SER 18 0.698 4.176 -1.515 92 2HB SER 18 2HB SER 18 0.653 5.646 -2.469 93 HG SER 18 HG SER 18 1.907 6.581 -1.019 94 H TRP 19 H TRP 19 -3.455 6.205 -1.209 95 HA TRP 19 HA TRP 19 -4.470 4.861 -3.257 96 1HB TRP 19 1HB TRP 19 -5.256 7.014 -1.754 97 2HB TRP 19 2HB TRP 19 -5.220 7.700 -3.367 98 HD1 TRP 19 HD TRP 19 -7.043 4.941 -1.362 99 HE1 TRP 19 1HE TRP 19 -9.294 4.238 -2.546 100 HE3 TRP 19 3HE TRP 19 -6.285 7.667 -5.587 101 HZ2 TRP 19 2HZ TRP 19 -10.478 4.886 -5.060 102 HZ3 TRP 19 3HZ TRP 19 -8.037 7.576 -7.358 103 HH2 TRP 19 HH TRP 19 -10.078 6.246 -7.145 104 HA PRO 20 HA PRO 20 -5.562 4.870 -4.823 105 1HB PRO 20 1HB PRO 20 -5.644 3.582 -7.232 106 2HB PRO 20 2HB PRO 20 -6.469 5.098 -6.927 107 1HG PRO 20 1HG PRO 20 -3.989 4.614 -8.461 108 2HG PRO 20 2HG PRO 20 -5.046 6.011 -8.495 109 1HD PRO 20 1HD PRO 20 -2.504 5.815 -7.182 110 2HD PRO 20 2HD PRO 20 -3.613 7.170 -7.120 111 H VAL 21 H VAL 21 -2.344 4.160 -5.296 112 HA VAL 21 HA VAL 21 -2.832 1.288 -5.035 113 HB VAL 21 HB VAL 21 -0.166 2.564 -5.540 114 1HG1 VAL 21 1HG1 VAL 21 0.264 0.342 -5.430 115 2HG1 VAL 21 2HG1 VAL 21 -1.415 -0.114 -5.807 116 3HG1 VAL 21 3HG1 VAL 21 -0.306 0.362 -7.116 117 1HG2 VAL 21 1HG2 VAL 21 -0.947 2.058 -8.066 118 2HG2 VAL 21 2HG2 VAL 21 -2.513 2.541 -7.372 119 3HG2 VAL 21 3HG2 VAL 21 -1.124 3.652 -7.295 120 H CYS 22 H CYS 22 -0.748 0.282 -3.730 121 HA CYS 22 HA CYS 22 -0.956 1.586 -1.129 122 1HB CYS 22 1HB CYS 22 -0.381 -1.248 -1.973 123 2HB CYS 22 2HB CYS 22 0.004 -0.680 -0.361 124 H THR 23 H THR 23 1.169 1.264 0.254 125 HA THR 23 HA THR 23 3.578 1.311 -1.377 126 HB THR 23 HB THR 23 4.103 3.525 0.050 127 HG1 THR 23 1HG THR 23 2.030 4.646 0.333 128 1HG2 THR 23 1HG2 THR 23 4.054 3.672 -2.387 129 2HG2 THR 23 2HG2 THR 23 2.295 3.402 -2.415 130 3HG2 THR 23 3HG2 THR 23 2.951 4.924 -1.766 131 H ARG 24 H ARG 24 5.576 1.381 0.038 132 HA ARG 24 HA ARG 24 4.955 0.210 2.622 133 1HB ARG 24 1HB ARG 24 5.525 -1.725 1.342 134 2HB ARG 24 2HB ARG 24 6.768 -0.880 0.440 135 1HG ARG 24 1HG ARG 24 8.362 -1.301 2.020 136 2HG ARG 24 2HG ARG 24 7.303 -0.844 3.339 137 1HD ARG 24 1HD ARG 24 6.444 -3.019 3.597 138 2HD ARG 24 2HD ARG 24 6.752 -3.458 1.929 139 HE ARG 24 HE ARG 24 8.673 -3.571 4.158 140 1HH1 ARG 24 2HH2 ARG 24 8.248 -3.593 0.665 141 2HH1 ARG 24 1HH2 ARG 24 9.771 -4.358 0.356 142 1HH2 ARG 24 2HH1 ARG 24 10.683 -4.580 3.751 143 2HH2 ARG 24 1HH1 ARG 24 11.165 -4.923 2.124 144 H ASN 25 H ASN 25 5.921 1.464 4.186 145 HA ASN 25 HA ASN 25 7.299 2.794 5.200 146 1HB ASN 25 1HB ASN 25 9.264 1.441 3.303 147 2HB ASN 25 2HB ASN 25 9.817 2.676 4.415 148 1HD2 ASN 25 1HD2 ASN 25 10.225 -0.293 4.174 149 2HD2 ASN 25 2HD2 ASN 25 9.892 -0.945 5.744 150 H GLY 26 H GLY 26 5.920 3.581 2.565 151 1HA GLY 26 1HA GLY 26 5.702 5.634 1.579 152 2HA GLY 26 2HA GLY 26 7.245 6.138 2.240 153 H LEU 27 H LEU 27 7.041 3.009 0.602 154 HA LEU 27 HA LEU 27 7.998 4.176 -1.885 155 1HB LEU 27 1HB LEU 27 9.556 2.002 -0.497 156 2HB LEU 27 2HB LEU 27 9.972 2.854 -1.971 157 HG LEU 27 HG LEU 27 9.705 4.346 0.633 158 1HD1 LEU 27 1HD1 LEU 27 11.983 3.964 1.195 159 2HD1 LEU 27 2HD1 LEU 27 11.235 2.370 0.934 160 3HD1 LEU 27 3HD1 LEU 27 12.281 3.079 -0.320 161 1HD2 LEU 27 1HD2 LEU 27 10.041 5.261 -1.885 162 2HD2 LEU 27 2HD2 LEU 27 10.661 6.087 -0.435 163 3HD2 LEU 27 3HD2 LEU 27 11.740 5.050 -1.399 164 HA PRO 28 HA PRO 28 5.117 1.361 -3.112 165 1HB PRO 28 1HB PRO 28 5.370 1.537 -5.840 166 2HB PRO 28 2HB PRO 28 4.506 2.749 -4.835 167 1HG PRO 28 1HG PRO 28 7.294 2.839 -5.986 168 2HG PRO 28 2HG PRO 28 6.142 4.179 -5.669 169 1HD PRO 28 1HD PRO 28 8.328 3.565 -4.043 170 2HD PRO 28 2HD PRO 28 6.862 4.436 -3.479 171 H VAL 29 H VAL 29 5.882 -0.578 -2.182 172 HA VAL 29 HA VAL 29 6.893 -2.354 -4.255 173 HB VAL 29 HB VAL 29 8.624 -3.229 -2.778 174 1HG1 VAL 29 1HG1 VAL 29 9.226 -0.300 -2.826 175 2HG1 VAL 29 2HG1 VAL 29 10.207 -1.682 -3.370 176 3HG1 VAL 29 3HG1 VAL 29 8.851 -1.105 -4.369 177 1HG2 VAL 29 1HG2 VAL 29 8.215 -0.870 -0.936 178 2HG2 VAL 29 2HG2 VAL 29 7.396 -2.426 -0.657 179 3HG2 VAL 29 3HG2 VAL 29 9.174 -2.346 -0.673 Start of MODEL 3 1 H CYS 1 H CYS 1 4.322 -1.865 -3.065 2 HA CYS 1 HA CYS 1 4.079 -4.153 -1.278 3 1HB CYS 1 1HB CYS 1 2.346 -1.766 -1.849 4 2HB CYS 1 2HB CYS 1 1.658 -3.208 -1.129 5 H GLY 2 H GLY 2 2.770 -2.668 -4.317 6 1HA GLY 2 1HA GLY 2 2.239 -3.795 -6.251 7 2HA GLY 2 2HA GLY 2 2.313 -5.328 -5.405 8 H GLU 3 H GLU 3 0.596 -3.826 -3.174 9 HA GLU 3 HA GLU 3 -1.887 -4.653 -4.375 10 1HB GLU 3 1HB GLU 3 -0.940 -5.173 -1.938 11 2HB GLU 3 2HB GLU 3 -1.657 -3.622 -1.546 12 1HG GLU 3 1HG GLU 3 -3.857 -4.394 -2.409 13 2HG GLU 3 2HG GLU 3 -3.153 -5.927 -2.883 14 H THR 4 H THR 4 -3.896 -3.258 -3.970 15 HA THR 4 HA THR 4 -3.181 -0.404 -4.123 16 HB THR 4 HB THR 4 -5.091 -0.266 -5.796 17 HG1 THR 4 1HG THR 4 -5.978 -2.370 -4.925 18 1HG2 THR 4 1HG2 THR 4 -3.879 -1.995 -7.504 19 2HG2 THR 4 2HG2 THR 4 -3.156 -0.420 -7.097 20 3HG2 THR 4 3HG2 THR 4 -2.600 -1.895 -6.270 21 H CYS 5 H CYS 5 -4.337 1.010 -2.897 22 HA CYS 5 HA CYS 5 -6.286 -0.257 -1.134 23 1HB CYS 5 1HB CYS 5 -5.847 1.434 0.448 24 2HB CYS 5 2HB CYS 5 -4.295 0.869 -0.139 25 H VAL 6 H VAL 6 -7.376 0.032 -3.582 26 HA VAL 6 HA VAL 6 -8.310 2.558 -4.283 27 HB VAL 6 HB VAL 6 -9.198 -0.265 -4.811 28 1HG1 VAL 6 1HG1 VAL 6 -10.507 2.257 -5.886 29 2HG1 VAL 6 2HG1 VAL 6 -10.816 0.602 -6.465 30 3HG1 VAL 6 3HG1 VAL 6 -11.250 1.058 -4.800 31 1HG2 VAL 6 1HG2 VAL 6 -7.260 0.235 -6.028 32 2HG2 VAL 6 2HG2 VAL 6 -8.574 0.541 -7.189 33 3HG2 VAL 6 3HG2 VAL 6 -7.782 1.904 -6.362 34 H GLY 7 H GLY 7 -9.228 0.336 -1.722 35 1HA GLY 7 1HA GLY 7 -11.849 1.511 -1.337 36 2HA GLY 7 2HA GLY 7 -11.074 0.269 -0.373 37 H GLY 8 H GLY 8 -8.496 1.878 -0.138 38 1HA GLY 8 1HA GLY 8 -8.056 4.089 0.780 39 2HA GLY 8 2HA GLY 8 -9.494 3.912 1.767 40 H THR 9 H THR 9 -7.775 0.930 1.341 41 HA THR 9 HA THR 9 -6.025 1.344 3.610 42 HB THR 9 HB THR 9 -8.175 -0.816 3.761 43 HG1 THR 9 1HG THR 9 -8.035 1.941 4.764 44 1HG2 THR 9 1HG2 THR 9 -6.876 -1.319 5.594 45 2HG2 THR 9 2HG2 THR 9 -5.992 0.222 5.490 46 3HG2 THR 9 3HG2 THR 9 -7.573 0.156 6.304 47 H CYS 10 H CYS 10 -4.578 -0.512 3.979 48 HA CYS 10 HA CYS 10 -4.281 -2.005 1.475 49 1HB CYS 10 1HB CYS 10 -2.176 -1.027 3.413 50 2HB CYS 10 2HB CYS 10 -1.857 -2.150 2.106 51 H ASN 11 H ASN 11 -3.928 -4.278 1.650 52 HA ASN 11 HA ASN 11 -4.743 -5.343 4.186 53 1HB ASN 11 1HB ASN 11 -5.671 -6.170 1.963 54 2HB ASN 11 2HB ASN 11 -4.080 -6.787 1.565 55 1HD2 ASN 11 1HD2 ASN 11 -4.508 -8.909 1.525 56 2HD2 ASN 11 2HD2 ASN 11 -5.014 -9.859 2.882 57 H THR 12 H THR 12 -1.992 -5.474 1.830 58 HA THR 12 HA THR 12 -0.424 -7.348 3.173 59 HB THR 12 HB THR 12 0.217 -5.009 1.306 60 HG1 THR 12 1HG THR 12 -0.102 -6.679 -0.192 61 1HG2 THR 12 1HG2 THR 12 1.957 -7.465 1.723 62 2HG2 THR 12 2HG2 THR 12 2.388 -5.911 0.970 63 3HG2 THR 12 3HG2 THR 12 2.206 -6.023 2.737 64 HA PRO 13 HA PRO 13 0.655 -5.452 6.704 65 1HB PRO 13 1HB PRO 13 2.885 -6.859 7.469 66 2HB PRO 13 2HB PRO 13 1.208 -7.484 7.616 67 1HG PRO 13 1HG PRO 13 3.298 -8.057 5.516 68 2HG PRO 13 2HG PRO 13 1.998 -9.116 6.156 69 1HD PRO 13 1HD PRO 13 1.885 -7.795 3.698 70 2HD PRO 13 2HD PRO 13 0.442 -8.329 4.626 71 H GLY 14 H GLY 14 1.469 -3.549 7.416 72 1HA GLY 14 1HA GLY 14 2.995 -1.894 7.652 73 2HA GLY 14 2HA GLY 14 4.204 -2.896 6.875 74 H CYS 15 H CYS 15 1.240 -2.672 5.078 75 HA CYS 15 HA CYS 15 2.599 -0.952 3.173 76 1HB CYS 15 1HB CYS 15 0.242 -2.818 2.970 77 2HB CYS 15 2HB CYS 15 0.605 -1.651 1.714 78 H THR 16 H THR 16 1.939 1.165 2.836 79 HA THR 16 HA THR 16 -0.323 2.084 4.448 80 HB THR 16 HB THR 16 0.771 4.354 3.779 81 HG1 THR 16 1HG THR 16 3.114 3.767 3.141 82 1HG2 THR 16 1HG2 THR 16 2.867 2.614 5.086 83 2HG2 THR 16 2HG2 THR 16 2.306 4.239 5.549 84 3HG2 THR 16 3HG2 THR 16 1.311 2.812 5.927 85 H CYS 17 H CYS 17 -1.960 3.477 3.576 86 HA CYS 17 HA CYS 17 -2.715 2.599 0.956 87 1HB CYS 17 1HB CYS 17 -4.385 2.720 2.701 88 2HB CYS 17 2HB CYS 17 -4.063 4.423 2.955 89 H SER 18 H SER 18 -1.232 3.559 -0.522 90 HA SER 18 HA SER 18 -1.243 6.466 -0.516 91 1HB SER 18 1HB SER 18 0.909 4.911 -0.700 92 2HB SER 18 2HB SER 18 0.447 4.799 -2.387 93 HG SER 18 HG SER 18 1.026 6.851 -2.731 94 H TRP 19 H TRP 19 -3.616 6.195 -1.245 95 HA TRP 19 HA TRP 19 -4.576 4.814 -3.291 96 1HB TRP 19 1HB TRP 19 -5.490 6.867 -1.787 97 2HB TRP 19 2HB TRP 19 -5.374 7.663 -3.344 98 HD1 TRP 19 HD TRP 19 -7.352 4.884 -1.570 99 HE1 TRP 19 1HE TRP 19 -9.491 4.192 -2.952 100 HE3 TRP 19 3HE TRP 19 -6.194 7.591 -5.716 101 HZ2 TRP 19 2HZ TRP 19 -10.437 4.840 -5.566 102 HZ3 TRP 19 3HZ TRP 19 -7.778 7.506 -7.638 103 HH2 TRP 19 HH TRP 19 -9.838 6.191 -7.609 104 HA PRO 20 HA PRO 20 -5.634 4.738 -4.857 105 1HB PRO 20 1HB PRO 20 -5.633 3.418 -7.250 106 2HB PRO 20 2HB PRO 20 -6.537 4.893 -6.970 107 1HG PRO 20 1HG PRO 20 -4.024 4.518 -8.481 108 2HG PRO 20 2HG PRO 20 -5.151 5.858 -8.540 109 1HD PRO 20 1HD PRO 20 -2.611 5.809 -7.208 110 2HD PRO 20 2HD PRO 20 -3.789 7.106 -7.171 111 H VAL 21 H VAL 21 -2.378 4.166 -5.366 112 HA VAL 21 HA VAL 21 -2.731 1.282 -5.071 113 HB VAL 21 HB VAL 21 -0.210 1.371 -5.552 114 1HG1 VAL 21 1HG1 VAL 21 -1.317 0.491 -7.333 115 2HG1 VAL 21 2HG1 VAL 21 -2.494 1.824 -7.404 116 3HG1 VAL 21 3HG1 VAL 21 -0.861 2.040 -8.081 117 1HG2 VAL 21 1HG2 VAL 21 0.814 3.291 -6.214 118 2HG2 VAL 21 2HG2 VAL 21 -0.667 3.968 -6.932 119 3HG2 VAL 21 3HG2 VAL 21 -0.424 4.029 -5.170 120 H CYS 22 H CYS 22 -0.678 0.341 -3.719 121 HA CYS 22 HA CYS 22 -0.929 1.679 -1.139 122 1HB CYS 22 1HB CYS 22 -0.347 -1.163 -1.940 123 2HB CYS 22 2HB CYS 22 0.048 -0.576 -0.337 124 H THR 23 H THR 23 1.215 1.251 0.270 125 HA THR 23 HA THR 23 3.616 1.391 -1.365 126 HB THR 23 HB THR 23 4.217 3.541 -0.009 127 HG1 THR 23 1HG THR 23 2.465 4.382 1.110 128 1HG2 THR 23 1HG2 THR 23 2.748 5.031 -1.482 129 2HG2 THR 23 2HG2 THR 23 3.693 3.823 -2.384 130 3HG2 THR 23 3HG2 THR 23 1.961 3.551 -2.078 131 H ARG 24 H ARG 24 5.620 1.403 0.046 132 HA ARG 24 HA ARG 24 5.010 0.089 2.564 133 1HB ARG 24 1HB ARG 24 5.609 -1.720 1.060 134 2HB ARG 24 2HB ARG 24 6.955 -0.817 0.395 135 1HG ARG 24 1HG ARG 24 8.358 -1.406 2.105 136 2HG ARG 24 2HG ARG 24 7.137 -1.126 3.331 137 1HD ARG 24 1HD ARG 24 6.326 -3.317 3.236 138 2HD ARG 24 2HD ARG 24 6.750 -3.521 1.548 139 HE ARG 24 HE ARG 24 8.810 -4.374 2.227 140 1HH1 ARG 24 2HH2 ARG 24 7.530 -2.359 4.812 141 2HH1 ARG 24 1HH2 ARG 24 8.819 -2.724 5.909 142 1HH2 ARG 24 2HH1 ARG 24 10.511 -4.857 3.674 143 2HH2 ARG 24 1HH1 ARG 24 10.527 -4.155 5.257 144 H ASN 25 H ASN 25 5.886 1.366 4.164 145 HA ASN 25 HA ASN 25 7.221 2.686 5.247 146 1HB ASN 25 1HB ASN 25 9.152 1.131 3.535 147 2HB ASN 25 2HB ASN 25 9.794 2.555 4.329 148 1HD2 ASN 25 1HD2 ASN 25 7.734 -0.273 4.979 149 2HD2 ASN 25 2HD2 ASN 25 8.329 -0.621 6.568 150 H GLY 26 H GLY 26 5.972 3.500 2.554 151 1HA GLY 26 1HA GLY 26 5.815 5.575 1.594 152 2HA GLY 26 2HA GLY 26 7.349 6.042 2.301 153 H LEU 27 H LEU 27 7.070 2.939 0.603 154 HA LEU 27 HA LEU 27 8.152 4.104 -1.830 155 1HB LEU 27 1HB LEU 27 9.594 1.867 -0.415 156 2HB LEU 27 2HB LEU 27 10.077 2.701 -1.878 157 HG LEU 27 HG LEU 27 9.801 4.201 0.720 158 1HD1 LEU 27 1HD1 LEU 27 12.313 3.832 0.960 159 2HD1 LEU 27 2HD1 LEU 27 11.247 2.475 1.397 160 3HD1 LEU 27 3HD1 LEU 27 12.107 2.464 -0.161 161 1HD2 LEU 27 1HD2 LEU 27 11.887 4.824 -1.299 162 2HD2 LEU 27 2HD2 LEU 27 10.197 5.133 -1.766 163 3HD2 LEU 27 3HD2 LEU 27 10.874 5.905 -0.312 164 HA PRO 28 HA PRO 28 5.215 1.405 -3.181 165 1HB PRO 28 1HB PRO 28 5.554 1.609 -5.898 166 2HB PRO 28 2HB PRO 28 4.702 2.836 -4.901 167 1HG PRO 28 1HG PRO 28 7.524 2.846 -5.969 168 2HG PRO 28 2HG PRO 28 6.409 4.221 -5.666 169 1HD PRO 28 1HD PRO 28 8.525 3.511 -3.987 170 2HD PRO 28 2HD PRO 28 7.073 4.424 -3.452 171 H VAL 29 H VAL 29 5.998 -0.538 -2.208 172 HA VAL 29 HA VAL 29 6.927 -2.348 -4.291 173 HB VAL 29 HB VAL 29 8.674 -3.245 -2.877 174 1HG1 VAL 29 1HG1 VAL 29 10.211 -1.221 -2.843 175 2HG1 VAL 29 2HG1 VAL 29 9.431 -1.585 -4.401 176 3HG1 VAL 29 3HG1 VAL 29 8.813 -0.261 -3.384 177 1HG2 VAL 29 1HG2 VAL 29 9.184 -2.559 -0.729 178 2HG2 VAL 29 2HG2 VAL 29 8.431 -0.960 -0.941 179 3HG2 VAL 29 3HG2 VAL 29 7.410 -2.403 -0.728 Start of MODEL 4 1 H CYS 1 H CYS 1 4.280 -1.864 -3.057 2 HA CYS 1 HA CYS 1 4.070 -4.175 -1.296 3 1HB CYS 1 1HB CYS 1 2.299 -1.806 -1.832 4 2HB CYS 1 2HB CYS 1 1.649 -3.260 -1.101 5 H GLY 2 H GLY 2 2.707 -2.661 -4.298 6 1HA GLY 2 1HA GLY 2 2.210 -3.796 -6.249 7 2HA GLY 2 2HA GLY 2 2.240 -5.325 -5.394 8 H GLU 3 H GLU 3 0.534 -3.971 -3.151 9 HA GLU 3 HA GLU 3 -1.951 -4.674 -4.391 10 1HB GLU 3 1HB GLU 3 -1.033 -5.225 -1.951 11 2HB GLU 3 2HB GLU 3 -1.725 -3.665 -1.553 12 1HG GLU 3 1HG GLU 3 -3.929 -4.403 -2.481 13 2HG GLU 3 2HG GLU 3 -3.238 -5.962 -2.885 14 H THR 4 H THR 4 -3.939 -3.255 -4.023 15 HA THR 4 HA THR 4 -3.181 -0.409 -4.140 16 HB THR 4 HB THR 4 -4.993 -0.197 -5.864 17 HG1 THR 4 1HG THR 4 -6.007 -2.203 -6.489 18 1HG2 THR 4 1HG2 THR 4 -2.924 -0.592 -6.988 19 2HG2 THR 4 2HG2 THR 4 -2.780 -2.237 -6.324 20 3HG2 THR 4 3HG2 THR 4 -3.970 -1.894 -7.602 21 H CYS 5 H CYS 5 -4.333 1.017 -2.924 22 HA CYS 5 HA CYS 5 -6.309 -0.232 -1.179 23 1HB CYS 5 1HB CYS 5 -5.873 1.459 0.402 24 2HB CYS 5 2HB CYS 5 -4.319 0.886 -0.171 25 H VAL 6 H VAL 6 -7.395 0.046 -3.621 26 HA VAL 6 HA VAL 6 -8.301 2.574 -4.352 27 HB VAL 6 HB VAL 6 -9.154 -0.253 -4.868 28 1HG1 VAL 6 1HG1 VAL 6 -10.650 2.250 -5.687 29 2HG1 VAL 6 2HG1 VAL 6 -10.789 0.709 -6.567 30 3HG1 VAL 6 3HG1 VAL 6 -11.279 0.806 -4.858 31 1HG2 VAL 6 1HG2 VAL 6 -7.809 1.964 -6.389 32 2HG2 VAL 6 2HG2 VAL 6 -7.324 0.263 -6.190 33 3HG2 VAL 6 3HG2 VAL 6 -8.673 0.683 -7.272 34 H GLY 7 H GLY 7 -9.255 0.382 -1.774 35 1HA GLY 7 1HA GLY 7 -11.854 1.611 -1.402 36 2HA GLY 7 2HA GLY 7 -11.115 0.348 -0.439 37 H GLY 8 H GLY 8 -8.500 1.858 -0.156 38 1HA GLY 8 1HA GLY 8 -8.002 4.053 0.763 39 2HA GLY 8 2HA GLY 8 -9.454 3.924 1.736 40 H THR 9 H THR 9 -7.758 0.912 1.306 41 HA THR 9 HA THR 9 -6.065 1.283 3.625 42 HB THR 9 HB THR 9 -8.230 -0.867 3.689 43 HG1 THR 9 1HG THR 9 -9.503 0.722 4.717 44 1HG2 THR 9 1HG2 THR 9 -6.651 0.581 5.880 45 2HG2 THR 9 2HG2 THR 9 -7.819 -0.740 6.126 46 3HG2 THR 9 3HG2 THR 9 -6.281 -1.056 5.288 47 H CYS 10 H CYS 10 -4.641 -0.590 4.006 48 HA CYS 10 HA CYS 10 -4.322 -2.090 1.508 49 1HB CYS 10 1HB CYS 10 -2.195 -1.066 3.399 50 2HB CYS 10 2HB CYS 10 -1.893 -2.172 2.073 51 H ASN 11 H ASN 11 -3.922 -4.352 1.725 52 HA ASN 11 HA ASN 11 -4.687 -5.379 4.291 53 1HB ASN 11 1HB ASN 11 -4.303 -6.553 1.512 54 2HB ASN 11 2HB ASN 11 -4.405 -7.628 2.892 55 1HD2 ASN 11 1HD2 ASN 11 -6.328 -8.409 3.231 56 2HD2 ASN 11 2HD2 ASN 11 -7.850 -7.629 2.958 57 H THR 12 H THR 12 -1.983 -5.609 1.876 58 HA THR 12 HA THR 12 -0.361 -7.390 3.239 59 HB THR 12 HB THR 12 0.237 -5.053 1.355 60 HG1 THR 12 1HG THR 12 -0.877 -6.674 0.256 61 1HG2 THR 12 1HG2 THR 12 2.246 -6.059 2.768 62 2HG2 THR 12 2HG2 THR 12 1.996 -7.498 1.752 63 3HG2 THR 12 3HG2 THR 12 2.410 -5.939 1.000 64 HA PRO 13 HA PRO 13 0.715 -5.447 6.745 65 1HB PRO 13 1HB PRO 13 2.971 -6.815 7.506 66 2HB PRO 13 2HB PRO 13 1.304 -7.463 7.671 67 1HG PRO 13 1HG PRO 13 3.387 -8.024 5.562 68 2HG PRO 13 2HG PRO 13 2.106 -9.096 6.221 69 1HD PRO 13 1HD PRO 13 1.956 -7.800 3.752 70 2HD PRO 13 2HD PRO 13 0.528 -8.345 4.695 71 H GLY 14 H GLY 14 1.511 -3.529 7.440 72 1HA GLY 14 1HA GLY 14 3.013 -1.849 7.648 73 2HA GLY 14 2HA GLY 14 4.231 -2.840 6.871 74 H CYS 15 H CYS 15 1.259 -2.687 5.085 75 HA CYS 15 HA CYS 15 2.577 -0.957 3.161 76 1HB CYS 15 1HB CYS 15 0.250 -2.863 2.980 77 2HB CYS 15 2HB CYS 15 0.598 -1.706 1.712 78 H THR 16 H THR 16 1.926 1.164 2.895 79 HA THR 16 HA THR 16 -0.380 2.037 4.465 80 HB THR 16 HB THR 16 0.678 4.320 3.895 81 HG1 THR 16 1HG THR 16 1.795 3.097 2.005 82 1HG2 THR 16 1HG2 THR 16 2.634 2.316 5.131 83 2HG2 THR 16 2HG2 THR 16 2.581 4.072 5.412 84 3HG2 THR 16 3HG2 THR 16 1.274 3.033 6.028 85 H CYS 17 H CYS 17 -1.975 3.503 3.564 86 HA CYS 17 HA CYS 17 -2.718 2.599 0.944 87 1HB CYS 17 1HB CYS 17 -4.409 2.730 2.665 88 2HB CYS 17 2HB CYS 17 -4.078 4.431 2.927 89 H SER 18 H SER 18 -1.193 3.549 -0.506 90 HA SER 18 HA SER 18 -1.183 6.453 -0.511 91 1HB SER 18 1HB SER 18 1.028 5.375 -0.593 92 2HB SER 18 2HB SER 18 0.553 4.425 -1.987 93 HG SER 18 HG SER 18 1.803 6.293 -2.605 94 H TRP 19 H TRP 19 -3.563 6.206 -1.238 95 HA TRP 19 HA TRP 19 -4.537 4.841 -3.286 96 1HB TRP 19 1HB TRP 19 -5.406 6.936 -1.786 97 2HB TRP 19 2HB TRP 19 -5.324 7.683 -3.369 98 HD1 TRP 19 HD TRP 19 -7.247 4.936 -1.479 99 HE1 TRP 19 1HE TRP 19 -9.425 4.217 -2.785 100 HE3 TRP 19 3HE TRP 19 -6.223 7.582 -5.698 101 HZ2 TRP 19 2HZ TRP 19 -10.452 4.823 -5.378 102 HZ3 TRP 19 3HZ TRP 19 -7.865 7.464 -7.570 103 HH2 TRP 19 HH TRP 19 -9.920 6.145 -7.458 104 HA PRO 20 HA PRO 20 -5.601 4.785 -4.853 105 1HB PRO 20 1HB PRO 20 -5.616 3.466 -7.247 106 2HB PRO 20 2HB PRO 20 -6.499 4.954 -6.967 107 1HG PRO 20 1HG PRO 20 -3.991 4.544 -8.476 108 2HG PRO 20 2HG PRO 20 -5.098 5.900 -8.536 109 1HD PRO 20 1HD PRO 20 -2.561 5.814 -7.201 110 2HD PRO 20 2HD PRO 20 -3.720 7.128 -7.164 111 H VAL 21 H VAL 21 -2.353 4.171 -5.349 112 HA VAL 21 HA VAL 21 -2.747 1.291 -5.052 113 HB VAL 21 HB VAL 21 -1.299 2.511 -6.853 114 1HG1 VAL 21 1HG1 VAL 21 -0.051 3.657 -4.794 115 2HG1 VAL 21 2HG1 VAL 21 0.936 2.179 -4.896 116 3HG1 VAL 21 3HG1 VAL 21 0.797 3.256 -6.306 117 1HG2 VAL 21 1HG2 VAL 21 -1.269 -0.055 -5.664 118 2HG2 VAL 21 2HG2 VAL 21 -0.687 0.410 -7.281 119 3HG2 VAL 21 3HG2 VAL 21 0.433 0.413 -5.897 120 H CYS 22 H CYS 22 -0.703 0.324 -3.707 121 HA CYS 22 HA CYS 22 -0.919 1.676 -1.131 122 1HB CYS 22 1HB CYS 22 -0.368 -1.177 -1.918 123 2HB CYS 22 2HB CYS 22 0.017 -0.583 -0.315 124 H THR 23 H THR 23 1.210 1.290 0.271 125 HA THR 23 HA THR 23 3.615 1.344 -1.367 126 HB THR 23 HB THR 23 4.189 3.522 0.061 127 HG1 THR 23 1HG THR 23 2.262 4.554 0.730 128 1HG2 THR 23 1HG2 THR 23 2.263 3.467 -2.316 129 2HG2 THR 23 2HG2 THR 23 2.947 4.973 -1.659 130 3HG2 THR 23 3HG2 THR 23 4.021 3.740 -2.362 131 H ARG 24 H ARG 24 5.618 1.359 0.039 132 HA ARG 24 HA ARG 24 4.996 0.147 2.603 133 1HB ARG 24 1HB ARG 24 5.536 -1.774 1.293 134 2HB ARG 24 2HB ARG 24 6.775 -0.928 0.388 135 1HG ARG 24 1HG ARG 24 8.387 -1.332 1.965 136 2HG ARG 24 2HG ARG 24 7.309 -0.981 3.301 137 1HD ARG 24 1HD ARG 24 6.377 -3.204 3.281 138 2HD ARG 24 2HD ARG 24 7.037 -3.555 1.696 139 HE ARG 24 HE ARG 24 9.116 -2.911 3.642 140 1HH1 ARG 24 2HH2 ARG 24 7.058 -5.487 2.414 141 2HH1 ARG 24 1HH2 ARG 24 8.124 -6.755 2.920 142 1HH2 ARG 24 2HH1 ARG 24 10.524 -4.583 4.310 143 2HH2 ARG 24 1HH1 ARG 24 10.109 -6.237 4.006 144 H ASN 25 H ASN 25 5.997 1.341 4.193 145 HA ASN 25 HA ASN 25 7.395 2.637 5.223 146 1HB ASN 25 1HB ASN 25 9.318 1.279 3.290 147 2HB ASN 25 2HB ASN 25 9.909 2.509 4.390 148 1HD2 ASN 25 1HD2 ASN 25 10.285 -0.460 4.151 149 2HD2 ASN 25 2HD2 ASN 25 9.969 -1.108 5.726 150 H GLY 26 H GLY 26 6.004 3.503 2.623 151 1HA GLY 26 1HA GLY 26 5.805 5.572 1.673 152 2HA GLY 26 2HA GLY 26 7.350 6.051 2.347 153 H LEU 27 H LEU 27 7.073 2.970 0.609 154 HA LEU 27 HA LEU 27 8.057 4.184 -1.839 155 1HB LEU 27 1HB LEU 27 9.604 1.985 -0.473 156 2HB LEU 27 2HB LEU 27 10.014 2.818 -1.960 157 HG LEU 27 HG LEU 27 9.802 4.312 0.652 158 1HD1 LEU 27 1HD1 LEU 27 12.343 3.050 -0.402 159 2HD1 LEU 27 2HD1 LEU 27 12.116 3.954 1.115 160 3HD1 LEU 27 3HD1 LEU 27 11.353 2.359 0.906 161 1HD2 LEU 27 1HD2 LEU 27 10.549 6.080 -0.482 162 2HD2 LEU 27 2HD2 LEU 27 11.812 5.132 -1.304 163 3HD2 LEU 27 3HD2 LEU 27 10.155 5.159 -1.953 164 HA PRO 28 HA PRO 28 5.169 1.418 -3.147 165 1HB PRO 28 1HB PRO 28 5.459 1.622 -5.869 166 2HB PRO 28 2HB PRO 28 4.600 2.835 -4.860 167 1HG PRO 28 1HG PRO 28 7.403 2.898 -5.975 168 2HG PRO 28 2HG PRO 28 6.266 4.251 -5.656 169 1HD PRO 28 1HD PRO 28 8.423 3.586 -4.010 170 2HD PRO 28 2HD PRO 28 6.962 4.472 -3.454 171 H VAL 29 H VAL 29 5.909 -0.538 -2.223 172 HA VAL 29 HA VAL 29 6.888 -2.316 -4.305 173 HB VAL 29 HB VAL 29 8.625 -3.216 -2.842 174 1HG1 VAL 29 1HG1 VAL 29 8.805 -0.254 -3.467 175 2HG1 VAL 29 2HG1 VAL 29 10.193 -1.237 -2.941 176 3HG1 VAL 29 3HG1 VAL 29 9.357 -1.621 -4.465 177 1HG2 VAL 29 1HG2 VAL 29 7.496 -2.443 -0.698 178 2HG2 VAL 29 2HG2 VAL 29 9.262 -2.235 -0.773 179 3HG2 VAL 29 3HG2 VAL 29 8.189 -0.836 -1.019 Start of MODEL 5 1 H CYS 1 H CYS 1 4.317 -1.911 -3.067 2 HA CYS 1 HA CYS 1 4.116 -4.123 -1.181 3 1HB CYS 1 1HB CYS 1 2.271 -1.867 -1.928 4 2HB CYS 1 2HB CYS 1 1.668 -3.293 -1.108 5 H GLY 2 H GLY 2 2.472 -2.792 -4.152 6 1HA GLY 2 1HA GLY 2 2.179 -4.055 -6.113 7 2HA GLY 2 2HA GLY 2 2.266 -5.538 -5.183 8 H GLU 3 H GLU 3 0.466 -3.754 -3.141 9 HA GLU 3 HA GLU 3 -1.983 -4.720 -4.358 10 1HB GLU 3 1HB GLU 3 -1.093 -5.225 -1.893 11 2HB GLU 3 2HB GLU 3 -1.833 -3.679 -1.529 12 1HG GLU 3 1HG GLU 3 -4.004 -4.467 -2.432 13 2HG GLU 3 2HG GLU 3 -3.279 -5.990 -2.908 14 H THR 4 H THR 4 -4.005 -3.321 -3.979 15 HA THR 4 HA THR 4 -3.275 -0.474 -4.193 16 HB THR 4 HB THR 4 -5.102 -0.312 -5.875 17 HG1 THR 4 1HG THR 4 -5.140 -3.223 -5.552 18 1HG2 THR 4 1HG2 THR 4 -4.233 -2.089 -7.577 19 2HG2 THR 4 2HG2 THR 4 -3.054 -0.886 -7.002 20 3HG2 THR 4 3HG2 THR 4 -3.053 -2.529 -6.319 21 H CYS 5 H CYS 5 -4.434 1.004 -3.027 22 HA CYS 5 HA CYS 5 -6.371 -0.199 -1.195 23 1HB CYS 5 1HB CYS 5 -5.830 1.447 0.394 24 2HB CYS 5 2HB CYS 5 -4.309 0.836 -0.226 25 H VAL 6 H VAL 6 -7.425 0.177 -3.670 26 HA VAL 6 HA VAL 6 -8.263 2.748 -4.317 27 HB VAL 6 HB VAL 6 -9.252 -0.027 -4.912 28 1HG1 VAL 6 1HG1 VAL 6 -11.294 1.145 -4.995 29 2HG1 VAL 6 2HG1 VAL 6 -10.536 2.597 -5.692 30 3HG1 VAL 6 3HG1 VAL 6 -10.717 1.127 -6.679 31 1HG2 VAL 6 1HG2 VAL 6 -8.608 0.893 -7.281 32 2HG2 VAL 6 2HG2 VAL 6 -7.688 2.101 -6.351 33 3HG2 VAL 6 3HG2 VAL 6 -7.335 0.368 -6.153 34 H GLY 7 H GLY 7 -9.265 0.520 -1.798 35 1HA GLY 7 1HA GLY 7 -11.843 1.789 -1.401 36 2HA GLY 7 2HA GLY 7 -11.131 0.487 -0.469 37 H GLY 8 H GLY 8 -8.487 1.929 -0.143 38 1HA GLY 8 1HA GLY 8 -7.955 4.092 0.822 39 2HA GLY 8 2HA GLY 8 -9.402 3.963 1.802 40 H THR 9 H THR 9 -7.680 0.963 1.272 41 HA THR 9 HA THR 9 -6.016 1.268 3.622 42 HB THR 9 HB THR 9 -7.969 0.653 4.824 43 HG1 THR 9 1HG THR 9 -7.403 -1.524 5.360 44 1HG2 THR 9 1HG2 THR 9 -9.676 -0.836 4.063 45 2HG2 THR 9 2HG2 THR 9 -9.274 0.105 2.607 46 3HG2 THR 9 3HG2 THR 9 -8.622 -1.538 2.812 47 H CYS 10 H CYS 10 -4.724 -0.786 4.021 48 HA CYS 10 HA CYS 10 -4.323 -2.141 1.455 49 1HB CYS 10 1HB CYS 10 -2.202 -1.121 3.354 50 2HB CYS 10 2HB CYS 10 -1.889 -2.211 2.018 51 H ASN 11 H ASN 11 -3.863 -4.402 1.631 52 HA ASN 11 HA ASN 11 -4.629 -5.488 4.174 53 1HB ASN 11 1HB ASN 11 -4.046 -6.758 1.450 54 2HB ASN 11 2HB ASN 11 -4.500 -7.697 2.858 55 1HD2 ASN 11 1HD2 ASN 11 -6.356 -8.420 1.817 56 2HD2 ASN 11 2HD2 ASN 11 -7.769 -7.438 1.623 57 H THR 12 H THR 12 -1.912 -5.649 1.764 58 HA THR 12 HA THR 12 -0.266 -7.419 3.106 59 HB THR 12 HB THR 12 0.293 -5.038 1.265 60 HG1 THR 12 1HG THR 12 -1.019 -7.070 0.695 61 1HG2 THR 12 1HG2 THR 12 2.493 -5.857 0.919 62 2HG2 THR 12 2HG2 THR 12 2.317 -6.009 2.683 63 3HG2 THR 12 3HG2 THR 12 2.116 -7.439 1.642 64 HA PRO 13 HA PRO 13 0.758 -5.530 6.656 65 1HB PRO 13 1HB PRO 13 3.034 -6.872 7.401 66 2HB PRO 13 2HB PRO 13 1.378 -7.554 7.544 67 1HG PRO 13 1HG PRO 13 3.482 -8.033 5.434 68 2HG PRO 13 2HG PRO 13 2.218 -9.142 6.064 69 1HD PRO 13 1HD PRO 13 2.057 -7.797 3.622 70 2HD PRO 13 2HD PRO 13 0.635 -8.388 4.546 71 H GLY 14 H GLY 14 1.526 -3.621 7.411 72 1HA GLY 14 1HA GLY 14 2.986 -1.911 7.651 73 2HA GLY 14 2HA GLY 14 4.231 -2.869 6.876 74 H CYS 15 H CYS 15 1.255 -2.704 5.078 75 HA CYS 15 HA CYS 15 2.576 -0.926 3.194 76 1HB CYS 15 1HB CYS 15 0.301 -2.887 2.940 77 2HB CYS 15 2HB CYS 15 0.636 -1.695 1.700 78 H THR 16 H THR 16 1.889 1.187 2.981 79 HA THR 16 HA THR 16 -0.476 1.966 4.512 80 HB THR 16 HB THR 16 0.535 4.158 4.490 81 HG1 THR 16 1HG THR 16 2.363 2.993 2.516 82 1HG2 THR 16 1HG2 THR 16 2.408 3.664 5.715 83 2HG2 THR 16 2HG2 THR 16 2.074 1.954 5.353 84 3HG2 THR 16 3HG2 THR 16 3.186 2.882 4.318 85 H CYS 17 H CYS 17 -2.017 3.527 3.587 86 HA CYS 17 HA CYS 17 -2.761 2.614 0.977 87 1HB CYS 17 1HB CYS 17 -4.427 2.903 2.749 88 2HB CYS 17 2HB CYS 17 -4.068 4.617 2.830 89 H SER 18 H SER 18 -1.174 3.453 -0.476 90 HA SER 18 HA SER 18 -0.999 6.349 -0.544 91 1HB SER 18 1HB SER 18 1.178 5.536 -0.733 92 2HB SER 18 2HB SER 18 0.686 4.092 -1.595 93 HG SER 18 HG SER 18 0.298 5.398 -3.491 94 H TRP 19 H TRP 19 -3.407 6.206 -1.247 95 HA TRP 19 HA TRP 19 -4.451 4.870 -3.286 96 1HB TRP 19 1HB TRP 19 -5.194 7.046 -1.792 97 2HB TRP 19 2HB TRP 19 -5.157 7.718 -3.410 98 HD1 TRP 19 HD TRP 19 -7.009 5.003 -1.372 99 HE1 TRP 19 1HE TRP 19 -9.278 4.325 -2.536 100 HE3 TRP 19 3HE TRP 19 -6.238 7.685 -5.623 101 HZ2 TRP 19 2HZ TRP 19 -10.469 4.971 -5.048 102 HZ3 TRP 19 3HZ TRP 19 -8.003 7.607 -7.381 103 HH2 TRP 19 HH TRP 19 -10.061 6.310 -7.146 104 HA PRO 20 HA PRO 20 -5.546 4.887 -4.848 105 1HB PRO 20 1HB PRO 20 -5.653 3.585 -7.249 106 2HB PRO 20 2HB PRO 20 -6.454 5.115 -6.952 107 1HG PRO 20 1HG PRO 20 -3.985 4.584 -8.488 108 2HG PRO 20 2HG PRO 20 -5.020 5.997 -8.529 109 1HD PRO 20 1HD PRO 20 -2.478 5.769 -7.219 110 2HD PRO 20 2HD PRO 20 -3.567 7.142 -7.165 111 H VAL 21 H VAL 21 -2.341 4.129 -5.310 112 HA VAL 21 HA VAL 21 -2.870 1.266 -5.029 113 HB VAL 21 HB VAL 21 -1.418 2.305 -6.875 114 1HG1 VAL 21 1HG1 VAL 21 1.000 2.147 -5.280 115 2HG1 VAL 21 2HG1 VAL 21 0.434 3.443 -6.362 116 3HG1 VAL 21 3HG1 VAL 21 -0.090 3.411 -4.661 117 1HG2 VAL 21 1HG2 VAL 21 -1.503 -0.159 -5.836 118 2HG2 VAL 21 2HG2 VAL 21 -0.354 0.298 -7.116 119 3HG2 VAL 21 3HG2 VAL 21 0.179 0.246 -5.419 120 H CYS 22 H CYS 22 -0.784 0.249 -3.721 121 HA CYS 22 HA CYS 22 -0.983 1.570 -1.128 122 1HB CYS 22 1HB CYS 22 -0.413 -1.272 -1.948 123 2HB CYS 22 2HB CYS 22 -0.051 -0.691 -0.335 124 H THR 23 H THR 23 1.127 1.295 0.255 125 HA THR 23 HA THR 23 3.543 1.289 -1.371 126 HB THR 23 HB THR 23 4.077 3.524 0.019 127 HG1 THR 23 1HG THR 23 2.162 4.475 0.703 128 1HG2 THR 23 1HG2 THR 23 2.877 4.889 -1.822 129 2HG2 THR 23 2HG2 THR 23 4.048 3.680 -2.400 130 3HG2 THR 23 3HG2 THR 23 2.304 3.330 -2.463 131 H ARG 24 H ARG 24 5.539 1.393 0.058 132 HA ARG 24 HA ARG 24 4.913 0.292 2.668 133 1HB ARG 24 1HB ARG 24 5.410 -1.686 1.391 134 2HB ARG 24 2HB ARG 24 6.722 -0.906 0.531 135 1HG ARG 24 1HG ARG 24 8.215 -1.106 2.322 136 2HG ARG 24 2HG ARG 24 6.945 -1.075 3.530 137 1HD ARG 24 1HD ARG 24 6.452 -3.359 3.282 138 2HD ARG 24 2HD ARG 24 7.005 -3.412 1.620 139 HE ARG 24 HE ARG 24 9.234 -2.797 3.324 140 1HH1 ARG 24 2HH2 ARG 24 7.104 -5.470 2.487 141 2HH1 ARG 24 1HH2 ARG 24 8.274 -6.689 2.866 142 1HH2 ARG 24 2HH1 ARG 24 10.779 -4.405 3.824 143 2HH2 ARG 24 1HH1 ARG 24 10.379 -6.080 3.632 144 H ASN 25 H ASN 25 6.001 1.456 4.226 145 HA ASN 25 HA ASN 25 7.427 2.779 5.183 146 1HB ASN 25 1HB ASN 25 9.007 0.838 4.466 147 2HB ASN 25 2HB ASN 25 9.542 1.884 3.166 148 1HD2 ASN 25 1HD2 ASN 25 10.841 0.767 5.624 149 2HD2 ASN 25 2HD2 ASN 25 11.566 2.114 6.436 150 H GLY 26 H GLY 26 5.934 3.638 2.667 151 1HA GLY 26 1HA GLY 26 5.716 5.650 1.631 152 2HA GLY 26 2HA GLY 26 7.248 6.174 2.302 153 H LEU 27 H LEU 27 6.966 3.076 0.567 154 HA LEU 27 HA LEU 27 7.957 4.271 -1.880 155 1HB LEU 27 1HB LEU 27 9.553 2.215 -0.345 156 2HB LEU 27 2HB LEU 27 9.903 2.783 -1.965 157 HG LEU 27 HG LEU 27 9.846 4.605 0.452 158 1HD1 LEU 27 1HD1 LEU 27 12.416 3.696 -0.782 159 2HD1 LEU 27 2HD1 LEU 27 12.073 4.266 0.869 160 3HD1 LEU 27 3HD1 LEU 27 11.587 2.626 0.375 161 1HD2 LEU 27 1HD2 LEU 27 10.850 6.240 -0.904 162 2HD2 LEU 27 2HD2 LEU 27 11.239 5.067 -2.186 163 3HD2 LEU 27 3HD2 LEU 27 9.549 5.547 -1.902 164 HA PRO 28 HA PRO 28 5.144 1.429 -3.173 165 1HB PRO 28 1HB PRO 28 5.477 1.566 -5.894 166 2HB PRO 28 2HB PRO 28 4.587 2.794 -4.932 167 1HG PRO 28 1HG PRO 28 7.407 2.862 -6.001 168 2HG PRO 28 2HG PRO 28 6.250 4.209 -5.737 169 1HD PRO 28 1HD PRO 28 8.386 3.613 -4.039 170 2HD PRO 28 2HD PRO 28 6.906 4.495 -3.531 171 H VAL 29 H VAL 29 5.940 -0.477 -2.164 172 HA VAL 29 HA VAL 29 6.951 -2.305 -4.190 173 HB VAL 29 HB VAL 29 8.633 -3.159 -2.555 174 1HG1 VAL 29 1HG1 VAL 29 9.479 -1.899 -4.370 175 2HG1 VAL 29 2HG1 VAL 29 8.882 -0.365 -3.692 176 3HG1 VAL 29 3HG1 VAL 29 10.246 -1.209 -2.919 177 1HG2 VAL 29 1HG2 VAL 29 7.872 -0.627 -1.073 178 2HG2 VAL 29 2HG2 VAL 29 7.844 -2.302 -0.473 179 3HG2 VAL 29 3HG2 VAL 29 9.399 -1.500 -0.801 Start of MODEL 6 1 H CYS 1 H CYS 1 4.190 -2.042 -2.915 2 HA CYS 1 HA CYS 1 3.868 -4.403 -1.237 3 1HB CYS 1 1HB CYS 1 1.938 -2.174 -1.910 4 2HB CYS 1 2HB CYS 1 1.552 -3.564 -0.915 5 H GLY 2 H GLY 2 2.942 -2.854 -4.355 6 1HA GLY 2 1HA GLY 2 2.474 -3.899 -6.332 7 2HA GLY 2 2HA GLY 2 2.462 -5.456 -5.527 8 H GLU 3 H GLU 3 0.599 -3.815 -3.437 9 HA GLU 3 HA GLU 3 -1.802 -4.554 -4.890 10 1HB GLU 3 1HB GLU 3 -2.805 -5.018 -2.831 11 2HB GLU 3 2HB GLU 3 -1.136 -5.442 -2.506 12 1HG GLU 3 1HG GLU 3 -0.795 -3.076 -1.603 13 2HG GLU 3 2HG GLU 3 -2.520 -2.819 -1.776 14 H THR 4 H THR 4 -3.825 -3.120 -4.148 15 HA THR 4 HA THR 4 -2.985 -0.304 -4.072 16 HB THR 4 HB THR 4 -4.755 0.131 -5.803 17 HG1 THR 4 1HG THR 4 -6.145 -1.583 -5.964 18 1HG2 THR 4 1HG2 THR 4 -2.921 -0.141 -7.178 19 2HG2 THR 4 2HG2 THR 4 -2.376 -1.593 -6.304 20 3HG2 THR 4 3HG2 THR 4 -3.646 -1.725 -7.544 21 H CYS 5 H CYS 5 -4.339 1.122 -2.961 22 HA CYS 5 HA CYS 5 -6.278 -0.283 -1.282 23 1HB CYS 5 1HB CYS 5 -5.949 1.413 0.371 24 2HB CYS 5 2HB CYS 5 -4.394 0.756 -0.098 25 H VAL 6 H VAL 6 -7.375 0.072 -3.672 26 HA VAL 6 HA VAL 6 -8.280 2.616 -4.344 27 HB VAL 6 HB VAL 6 -9.109 -0.199 -4.931 28 1HG1 VAL 6 1HG1 VAL 6 -11.243 0.928 -4.789 29 2HG1 VAL 6 2HG1 VAL 6 -10.640 2.283 -5.773 30 3HG1 VAL 6 3HG1 VAL 6 -10.839 0.672 -6.503 31 1HG2 VAL 6 1HG2 VAL 6 -7.822 2.087 -6.393 32 2HG2 VAL 6 2HG2 VAL 6 -7.325 0.382 -6.279 33 3HG2 VAL 6 3HG2 VAL 6 -8.698 0.842 -7.314 34 H GLY 7 H GLY 7 -9.231 0.369 -1.813 35 1HA GLY 7 1HA GLY 7 -11.831 1.585 -1.410 36 2HA GLY 7 2HA GLY 7 -11.082 0.309 -0.470 37 H GLY 8 H GLY 8 -8.477 1.789 -0.131 38 1HA GLY 8 1HA GLY 8 -7.971 3.969 0.812 39 2HA GLY 8 2HA GLY 8 -9.432 3.844 1.772 40 H THR 9 H THR 9 -7.697 0.843 1.309 41 HA THR 9 HA THR 9 -6.063 1.186 3.675 42 HB THR 9 HB THR 9 -8.121 -1.050 3.682 43 HG1 THR 9 1HG THR 9 -9.607 0.470 4.415 44 1HG2 THR 9 1HG2 THR 9 -7.808 0.035 6.239 45 2HG2 THR 9 2HG2 THR 9 -6.972 -1.418 5.641 46 3HG2 THR 9 3HG2 THR 9 -6.170 0.169 5.556 47 H CYS 10 H CYS 10 -4.553 -0.585 4.002 48 HA CYS 10 HA CYS 10 -4.139 -2.004 1.474 49 1HB CYS 10 1HB CYS 10 -2.147 -1.089 3.556 50 2HB CYS 10 2HB CYS 10 -1.749 -2.147 2.217 51 H ASN 11 H ASN 11 -3.801 -4.276 1.563 52 HA ASN 11 HA ASN 11 -4.698 -5.456 4.021 53 1HB ASN 11 1HB ASN 11 -4.191 -6.473 1.195 54 2HB ASN 11 2HB ASN 11 -4.423 -7.613 2.505 55 1HD2 ASN 11 1HD2 ASN 11 -6.246 -8.142 1.011 56 2HD2 ASN 11 2HD2 ASN 11 -7.768 -7.355 1.266 57 H THR 12 H THR 12 -1.833 -5.293 1.842 58 HA THR 12 HA THR 12 -0.313 -7.280 3.159 59 HB THR 12 HB THR 12 0.335 -4.936 1.305 60 HG1 THR 12 1HG THR 12 0.323 -7.862 1.083 61 1HG2 THR 12 1HG2 THR 12 2.147 -7.325 1.770 62 2HG2 THR 12 2HG2 THR 12 2.547 -5.741 1.063 63 3HG2 THR 12 3HG2 THR 12 2.305 -5.896 2.820 64 HA PRO 13 HA PRO 13 0.677 -5.408 6.726 65 1HB PRO 13 1HB PRO 13 2.907 -6.797 7.525 66 2HB PRO 13 2HB PRO 13 1.234 -7.443 7.630 67 1HG PRO 13 1HG PRO 13 3.375 -7.971 5.570 68 2HG PRO 13 2HG PRO 13 2.073 -9.051 6.172 69 1HD PRO 13 1HD PRO 13 1.997 -7.707 3.725 70 2HD PRO 13 2HD PRO 13 0.541 -8.266 4.617 71 H GLY 14 H GLY 14 1.463 -3.510 7.488 72 1HA GLY 14 1HA GLY 14 2.962 -1.838 7.768 73 2HA GLY 14 2HA GLY 14 4.198 -2.819 7.006 74 H CYS 15 H CYS 15 1.252 -2.583 5.167 75 HA CYS 15 HA CYS 15 2.636 -0.816 3.315 76 1HB CYS 15 1HB CYS 15 0.342 -2.746 3.004 77 2HB CYS 15 2HB CYS 15 0.719 -1.551 1.778 78 H THR 16 H THR 16 1.952 1.298 3.050 79 HA THR 16 HA THR 16 -0.408 2.108 4.575 80 HB THR 16 HB THR 16 0.604 4.378 4.281 81 HG1 THR 16 1HG THR 16 2.120 4.537 2.666 82 1HG2 THR 16 1HG2 THR 16 2.498 4.091 5.671 83 2HG2 THR 16 2HG2 THR 16 1.584 2.600 6.006 84 3HG2 THR 16 3HG2 THR 16 2.962 2.565 4.879 85 H CYS 17 H CYS 17 -2.050 3.473 3.673 86 HA CYS 17 HA CYS 17 -2.719 2.620 1.036 87 1HB CYS 17 1HB CYS 17 -4.408 2.817 2.792 88 2HB CYS 17 2HB CYS 17 -4.106 4.539 2.920 89 H SER 18 H SER 18 -1.275 3.536 -0.478 90 HA SER 18 HA SER 18 -1.164 6.442 -0.459 91 1HB SER 18 1HB SER 18 1.040 5.576 -0.607 92 2HB SER 18 2HB SER 18 0.569 4.291 -1.701 93 HG SER 18 HG SER 18 0.179 6.974 -2.586 94 H TRP 19 H TRP 19 -3.562 6.228 -1.165 95 HA TRP 19 HA TRP 19 -4.557 4.893 -3.232 96 1HB TRP 19 1HB TRP 19 -5.399 6.978 -1.686 97 2HB TRP 19 2HB TRP 19 -5.352 7.729 -3.268 98 HD1 TRP 19 HD TRP 19 -7.193 4.918 -1.372 99 HE1 TRP 19 1HE TRP 19 -9.406 4.211 -2.624 100 HE3 TRP 19 3HE TRP 19 -6.343 7.699 -5.542 101 HZ2 TRP 19 2HZ TRP 19 -10.526 4.880 -5.162 102 HZ3 TRP 19 3HZ TRP 19 -8.046 7.616 -7.361 103 HH2 TRP 19 HH TRP 19 -10.080 6.269 -7.220 104 HA PRO 20 HA PRO 20 -5.646 4.892 -4.793 105 1HB PRO 20 1HB PRO 20 -5.698 3.636 -7.219 106 2HB PRO 20 2HB PRO 20 -6.563 5.124 -6.891 107 1HG PRO 20 1HG PRO 20 -4.075 4.729 -8.437 108 2HG PRO 20 2HG PRO 20 -5.170 6.098 -8.450 109 1HD PRO 20 1HD PRO 20 -2.620 5.952 -7.144 110 2HD PRO 20 2HD PRO 20 -3.765 7.276 -7.062 111 H VAL 21 H VAL 21 -2.410 4.269 -5.309 112 HA VAL 21 HA VAL 21 -2.816 1.384 -5.094 113 HB VAL 21 HB VAL 21 -1.392 2.504 -6.888 114 1HG1 VAL 21 1HG1 VAL 21 1.008 2.894 -6.119 115 2HG1 VAL 21 2HG1 VAL 21 -0.181 4.144 -5.680 116 3HG1 VAL 21 3HG1 VAL 21 0.360 2.964 -4.463 117 1HG2 VAL 21 1HG2 VAL 21 -0.181 0.580 -7.112 118 2HG2 VAL 21 2HG2 VAL 21 0.331 0.568 -5.408 119 3HG2 VAL 21 3HG2 VAL 21 -1.311 0.040 -5.847 120 H CYS 22 H CYS 22 -0.759 0.389 -3.765 121 HA CYS 22 HA CYS 22 -1.024 1.647 -1.146 122 1HB CYS 22 1HB CYS 22 -0.683 -1.148 -2.097 123 2HB CYS 22 2HB CYS 22 0.110 -0.726 -0.592 124 H THR 23 H THR 23 1.079 1.317 0.267 125 HA THR 23 HA THR 23 3.515 1.407 -1.321 126 HB THR 23 HB THR 23 3.993 3.600 0.164 127 HG1 THR 23 1HG THR 23 1.765 3.263 1.108 128 1HG2 THR 23 1HG2 THR 23 2.267 3.501 -2.360 129 2HG2 THR 23 2HG2 THR 23 2.884 5.019 -1.666 130 3HG2 THR 23 3HG2 THR 23 4.021 3.789 -2.269 131 H ARG 24 H ARG 24 5.485 1.567 0.189 132 HA ARG 24 HA ARG 24 4.869 0.459 2.776 133 1HB ARG 24 1HB ARG 24 5.171 -1.595 1.583 134 2HB ARG 24 2HB ARG 24 6.466 -0.941 0.600 135 1HG ARG 24 1HG ARG 24 8.069 -1.182 2.284 136 2HG ARG 24 2HG ARG 24 6.902 -0.998 3.578 137 1HD ARG 24 1HD ARG 24 6.019 -3.259 3.189 138 2HD ARG 24 2HD ARG 24 7.003 -3.445 1.751 139 HE ARG 24 HE ARG 24 7.928 -3.612 4.546 140 1HH1 ARG 24 2HH2 ARG 24 8.852 -3.307 1.164 141 2HH1 ARG 24 1HH2 ARG 24 10.469 -3.871 1.423 142 1HH2 ARG 24 2HH1 ARG 24 10.061 -4.357 4.887 143 2HH2 ARG 24 1HH1 ARG 24 11.161 -4.473 3.555 144 H ASN 25 H ASN 25 6.085 1.602 4.252 145 HA ASN 25 HA ASN 25 7.647 2.825 5.125 146 1HB ASN 25 1HB ASN 25 9.070 0.783 4.502 147 2HB ASN 25 2HB ASN 25 9.561 1.634 3.051 148 1HD2 ASN 25 1HD2 ASN 25 9.894 1.313 6.458 149 2HD2 ASN 25 2HD2 ASN 25 11.161 2.465 6.717 150 H GLY 26 H GLY 26 6.150 3.684 2.581 151 1HA GLY 26 1HA GLY 26 6.042 5.714 1.540 152 2HA GLY 26 2HA GLY 26 7.655 6.107 2.099 153 H LEU 27 H LEU 27 7.086 2.975 0.545 154 HA LEU 27 HA LEU 27 7.924 3.988 -2.036 155 1HB LEU 27 1HB LEU 27 9.569 1.940 -0.544 156 2HB LEU 27 2HB LEU 27 9.825 2.480 -2.191 157 HG LEU 27 HG LEU 27 9.942 4.380 0.156 158 1HD1 LEU 27 1HD1 LEU 27 11.851 2.300 -0.604 159 2HD1 LEU 27 2HD1 LEU 27 12.564 3.931 -0.582 160 3HD1 LEU 27 3HD1 LEU 27 11.755 3.294 0.870 161 1HD2 LEU 27 1HD2 LEU 27 11.359 4.642 -2.491 162 2HD2 LEU 27 2HD2 LEU 27 9.672 5.168 -2.279 163 3HD2 LEU 27 3HD2 LEU 27 10.962 5.898 -1.294 164 HA PRO 28 HA PRO 28 4.893 1.169 -2.846 165 1HB PRO 28 1HB PRO 28 4.862 1.253 -5.590 166 2HB PRO 28 2HB PRO 28 4.113 2.505 -4.542 167 1HG PRO 28 1HG PRO 28 6.767 2.533 -5.978 168 2HG PRO 28 2HG PRO 28 5.661 3.893 -5.589 169 1HD PRO 28 1HD PRO 28 8.001 3.314 -4.178 170 2HD PRO 28 2HD PRO 28 6.606 4.216 -3.495 171 H VAL 29 H VAL 29 6.026 -0.647 -1.869 172 HA VAL 29 HA VAL 29 6.879 -2.474 -4.006 173 HB VAL 29 HB VAL 29 8.451 -3.429 -2.316 174 1HG1 VAL 29 1HG1 VAL 29 10.069 -1.409 -2.462 175 2HG1 VAL 29 2HG1 VAL 29 9.484 -2.144 -3.973 176 3HG1 VAL 29 3HG1 VAL 29 8.765 -0.625 -3.385 177 1HG2 VAL 29 1HG2 VAL 29 7.895 -0.865 -0.786 178 2HG2 VAL 29 2HG2 VAL 29 7.337 -2.486 -0.305 179 3HG2 VAL 29 3HG2 VAL 29 9.080 -2.126 -0.367 Start of MODEL 7 1 H CYS 1 H CYS 1 4.219 -2.082 -2.880 2 HA CYS 1 HA CYS 1 3.790 -4.431 -1.210 3 1HB CYS 1 1HB CYS 1 1.925 -2.160 -1.928 4 2HB CYS 1 2HB CYS 1 1.509 -3.523 -0.908 5 H GLY 2 H GLY 2 2.943 -2.846 -4.337 6 1HA GLY 2 1HA GLY 2 2.469 -3.863 -6.324 7 2HA GLY 2 2HA GLY 2 2.435 -5.428 -5.535 8 H GLU 3 H GLU 3 0.576 -3.780 -3.443 9 HA GLU 3 HA GLU 3 -1.823 -4.485 -4.916 10 1HB GLU 3 1HB GLU 3 -2.848 -4.943 -2.864 11 2HB GLU 3 2HB GLU 3 -1.188 -5.399 -2.537 12 1HG GLU 3 1HG GLU 3 -0.824 -3.016 -1.641 13 2HG GLU 3 2HG GLU 3 -2.556 -2.783 -1.766 14 H THR 4 H THR 4 -3.836 -3.034 -4.166 15 HA THR 4 HA THR 4 -2.963 -0.226 -4.091 16 HB THR 4 HB THR 4 -4.779 0.213 -5.793 17 HG1 THR 4 1HG THR 4 -6.138 -1.535 -5.899 18 1HG2 THR 4 1HG2 THR 4 -2.469 -1.645 -6.395 19 2HG2 THR 4 2HG2 THR 4 -3.698 -1.395 -7.658 20 3HG2 THR 4 3HG2 THR 4 -2.785 -0.008 -7.018 21 H CYS 5 H CYS 5 -4.270 1.208 -2.947 22 HA CYS 5 HA CYS 5 -6.167 -0.172 -1.210 23 1HB CYS 5 1HB CYS 5 -5.810 1.509 0.400 24 2HB CYS 5 2HB CYS 5 -4.231 1.028 -0.188 25 H VAL 6 H VAL 6 -7.239 0.115 -3.674 26 HA VAL 6 HA VAL 6 -8.287 2.607 -4.333 27 HB VAL 6 HB VAL 6 -8.954 -0.247 -4.950 28 1HG1 VAL 6 1HG1 VAL 6 -10.725 0.481 -6.497 29 2HG1 VAL 6 2HG1 VAL 6 -11.137 0.855 -4.806 30 3HG1 VAL 6 3HG1 VAL 6 -10.570 2.148 -5.890 31 1HG2 VAL 6 1HG2 VAL 6 -8.554 0.827 -7.320 32 2HG2 VAL 6 2HG2 VAL 6 -7.758 2.110 -6.377 33 3HG2 VAL 6 3HG2 VAL 6 -7.178 0.431 -6.263 34 H GLY 7 H GLY 7 -9.136 0.279 -1.837 35 1HA GLY 7 1HA GLY 7 -11.806 1.336 -1.452 36 2HA GLY 7 2HA GLY 7 -10.993 0.100 -0.513 37 H GLY 8 H GLY 8 -8.485 1.774 -0.174 38 1HA GLY 8 1HA GLY 8 -8.138 3.972 0.804 39 2HA GLY 8 2HA GLY 8 -9.583 3.723 1.764 40 H THR 9 H THR 9 -7.712 0.830 1.282 41 HA THR 9 HA THR 9 -6.039 1.256 3.606 42 HB THR 9 HB THR 9 -8.224 -0.892 3.580 43 HG1 THR 9 1HG THR 9 -9.151 1.185 3.961 44 1HG2 THR 9 1HG2 THR 9 -6.144 0.038 5.618 45 2HG2 THR 9 2HG2 THR 9 -7.613 -0.847 6.096 46 3HG2 THR 9 3HG2 THR 9 -6.419 -1.618 5.024 47 H CYS 10 H CYS 10 -4.639 -0.711 4.025 48 HA CYS 10 HA CYS 10 -4.141 -2.016 1.447 49 1HB CYS 10 1HB CYS 10 -2.162 -1.089 3.536 50 2HB CYS 10 2HB CYS 10 -1.748 -2.137 2.194 51 H ASN 11 H ASN 11 -3.745 -4.285 1.522 52 HA ASN 11 HA ASN 11 -4.650 -5.499 3.960 53 1HB ASN 11 1HB ASN 11 -5.292 -6.142 1.476 54 2HB ASN 11 2HB ASN 11 -3.756 -6.985 1.455 55 1HD2 ASN 11 1HD2 ASN 11 -4.761 -8.969 1.229 56 2HD2 ASN 11 2HD2 ASN 11 -5.565 -9.780 2.531 57 H THR 12 H THR 12 -1.764 -5.299 1.805 58 HA THR 12 HA THR 12 -0.224 -7.250 3.141 59 HB THR 12 HB THR 12 0.415 -4.883 1.311 60 HG1 THR 12 1HG THR 12 0.672 -6.841 -0.106 61 1HG2 THR 12 1HG2 THR 12 2.237 -7.266 1.788 62 2HG2 THR 12 2HG2 THR 12 2.634 -5.685 1.072 63 3HG2 THR 12 3HG2 THR 12 2.381 -5.829 2.828 64 HA PRO 13 HA PRO 13 0.683 -5.370 6.727 65 1HB PRO 13 1HB PRO 13 2.920 -6.728 7.556 66 2HB PRO 13 2HB PRO 13 1.256 -7.398 7.635 67 1HG PRO 13 1HG PRO 13 3.434 -7.891 5.606 68 2HG PRO 13 2HG PRO 13 2.140 -8.991 6.187 69 1HD PRO 13 1HD PRO 13 2.080 -7.644 3.742 70 2HD PRO 13 2HD PRO 13 0.620 -8.226 4.611 71 H GLY 14 H GLY 14 1.421 -3.456 7.491 72 1HA GLY 14 1HA GLY 14 2.902 -1.771 7.807 73 2HA GLY 14 2HA GLY 14 4.156 -2.726 7.042 74 H CYS 15 H CYS 15 1.258 -2.574 5.150 75 HA CYS 15 HA CYS 15 2.608 -0.752 3.336 76 1HB CYS 15 1HB CYS 15 0.338 -2.707 3.000 77 2HB CYS 15 2HB CYS 15 0.713 -1.505 1.782 78 H THR 16 H THR 16 1.899 1.354 3.082 79 HA THR 16 HA THR 16 -0.484 2.122 4.593 80 HB THR 16 HB THR 16 0.518 4.437 4.194 81 HG1 THR 16 1HG THR 16 1.646 3.518 2.203 82 1HG2 THR 16 1HG2 THR 16 2.220 2.232 5.441 83 2HG2 THR 16 2HG2 THR 16 2.756 3.930 5.432 84 3HG2 THR 16 3HG2 THR 16 1.255 3.474 6.275 85 H CYS 17 H CYS 17 -2.165 3.409 3.695 86 HA CYS 17 HA CYS 17 -2.772 2.600 1.035 87 1HB CYS 17 1HB CYS 17 -4.538 2.673 2.646 88 2HB CYS 17 2HB CYS 17 -4.206 4.349 3.036 89 H SER 18 H SER 18 -1.278 3.581 -0.406 90 HA SER 18 HA SER 18 -1.252 6.484 -0.354 91 1HB SER 18 1HB SER 18 0.580 4.367 -1.421 92 2HB SER 18 2HB SER 18 0.488 5.851 -2.348 93 HG SER 18 HG SER 18 0.786 6.091 0.477 94 H TRP 19 H TRP 19 -3.645 6.229 -1.080 95 HA TRP 19 HA TRP 19 -4.595 4.912 -3.177 96 1HB TRP 19 1HB TRP 19 -5.486 6.962 -1.603 97 2HB TRP 19 2HB TRP 19 -5.458 7.725 -3.181 98 HD1 TRP 19 HD TRP 19 -7.220 4.842 -1.311 99 HE1 TRP 19 1HE TRP 19 -9.418 4.096 -2.566 100 HE3 TRP 19 3HE TRP 19 -6.461 7.705 -5.444 101 HZ2 TRP 19 2HZ TRP 19 -10.567 4.771 -5.089 102 HZ3 TRP 19 3HZ TRP 19 -8.169 7.603 -7.257 103 HH2 TRP 19 HH TRP 19 -10.166 6.201 -7.128 104 HA PRO 20 HA PRO 20 -5.679 4.920 -4.745 105 1HB PRO 20 1HB PRO 20 -5.694 3.708 -7.194 106 2HB PRO 20 2HB PRO 20 -6.588 5.174 -6.845 107 1HG PRO 20 1HG PRO 20 -4.083 4.853 -8.382 108 2HG PRO 20 2HG PRO 20 -5.202 6.201 -8.377 109 1HD PRO 20 1HD PRO 20 -2.658 6.078 -7.058 110 2HD PRO 20 2HD PRO 20 -3.829 7.379 -6.959 111 H VAL 21 H VAL 21 -2.429 4.368 -5.242 112 HA VAL 21 HA VAL 21 -2.787 1.472 -5.086 113 HB VAL 21 HB VAL 21 -1.398 2.605 -6.877 114 1HG1 VAL 21 1HG1 VAL 21 1.007 2.749 -5.264 115 2HG1 VAL 21 2HG1 VAL 21 0.301 3.959 -6.362 116 3HG1 VAL 21 3HG1 VAL 21 -0.228 3.883 -4.664 117 1HG2 VAL 21 1HG2 VAL 21 0.424 0.770 -5.393 118 2HG2 VAL 21 2HG2 VAL 21 -1.202 0.161 -5.786 119 3HG2 VAL 21 3HG2 VAL 21 -0.124 0.725 -7.086 120 H CYS 22 H CYS 22 -0.750 0.465 -3.768 121 HA CYS 22 HA CYS 22 -0.993 1.703 -1.138 122 1HB CYS 22 1HB CYS 22 -0.669 -1.088 -2.111 123 2HB CYS 22 2HB CYS 22 0.119 -0.679 -0.600 124 H THR 23 H THR 23 1.124 1.301 0.262 125 HA THR 23 HA THR 23 3.556 1.352 -1.312 126 HB THR 23 HB THR 23 4.076 3.598 0.053 127 HG1 THR 23 1HG THR 23 2.135 4.625 0.621 128 1HG2 THR 23 1HG2 THR 23 3.162 4.971 -1.808 129 2HG2 THR 23 2HG2 THR 23 3.935 3.505 -2.459 130 3HG2 THR 23 3HG2 THR 23 2.161 3.598 -2.341 131 H ARG 24 H ARG 24 5.521 1.445 0.149 132 HA ARG 24 HA ARG 24 4.870 0.486 2.796 133 1HB ARG 24 1HB ARG 24 5.156 -1.619 1.714 134 2HB ARG 24 2HB ARG 24 6.428 -1.019 0.668 135 1HG ARG 24 1HG ARG 24 8.064 -1.097 2.379 136 2HG ARG 24 2HG ARG 24 6.873 -1.032 3.663 137 1HD ARG 24 1HD ARG 24 6.274 -3.321 3.407 138 2HD ARG 24 2HD ARG 24 6.911 -3.409 1.777 139 HE ARG 24 HE ARG 24 9.041 -3.841 2.651 140 1HH1 ARG 24 2HH2 ARG 24 6.988 -2.539 5.195 141 2HH1 ARG 24 1HH2 ARG 24 8.144 -2.830 6.452 142 1HH2 ARG 24 2HH1 ARG 24 10.566 -4.225 4.309 143 2HH2 ARG 24 1HH1 ARG 24 10.193 -3.795 5.945 144 H ASN 25 H ASN 25 6.095 1.655 4.242 145 HA ASN 25 HA ASN 25 7.670 2.882 5.085 146 1HB ASN 25 1HB ASN 25 9.065 0.798 4.507 147 2HB ASN 25 2HB ASN 25 9.589 1.629 3.055 148 1HD2 ASN 25 1HD2 ASN 25 9.923 1.280 6.442 149 2HD2 ASN 25 2HD2 ASN 25 11.180 2.439 6.720 150 H GLY 26 H GLY 26 6.197 3.672 2.497 151 1HA GLY 26 1HA GLY 26 6.115 5.674 1.399 152 2HA GLY 26 2HA GLY 26 7.729 6.067 1.955 153 H LEU 27 H LEU 27 7.144 2.894 0.499 154 HA LEU 27 HA LEU 27 8.022 3.824 -2.104 155 1HB LEU 27 1HB LEU 27 9.585 1.717 -0.613 156 2HB LEU 27 2HB LEU 27 9.909 2.347 -2.216 157 HG LEU 27 HG LEU 27 9.975 4.110 0.237 158 1HD1 LEU 27 1HD1 LEU 27 11.526 2.162 0.497 159 2HD1 LEU 27 2HD1 LEU 27 12.364 2.701 -0.978 160 3HD1 LEU 27 3HD1 LEU 27 12.328 3.750 0.460 161 1HD2 LEU 27 1HD2 LEU 27 10.950 5.716 -1.080 162 2HD2 LEU 27 2HD2 LEU 27 11.596 4.535 -2.245 163 3HD2 LEU 27 3HD2 LEU 27 9.862 4.939 -2.255 164 HA PRO 28 HA PRO 28 4.927 1.067 -2.886 165 1HB PRO 28 1HB PRO 28 4.934 1.083 -5.631 166 2HB PRO 28 2HB PRO 28 4.206 2.380 -4.625 167 1HG PRO 28 1HG PRO 28 6.878 2.302 -6.025 168 2HG PRO 28 2HG PRO 28 5.804 3.700 -5.685 169 1HD PRO 28 1HD PRO 28 8.109 3.094 -4.229 170 2HD PRO 28 2HD PRO 28 6.730 4.050 -3.587 171 H VAL 29 H VAL 29 6.118 -0.712 -1.834 172 HA VAL 29 HA VAL 29 6.932 -2.621 -3.917 173 HB VAL 29 HB VAL 29 8.472 -3.562 -2.250 174 1HG1 VAL 29 1HG1 VAL 29 9.631 -2.184 -3.689 175 2HG1 VAL 29 2HG1 VAL 29 8.731 -0.728 -3.201 176 3HG1 VAL 29 3HG1 VAL 29 9.985 -1.399 -2.131 177 1HG2 VAL 29 1HG2 VAL 29 7.120 -2.626 -0.274 178 2HG2 VAL 29 2HG2 VAL 29 8.895 -2.596 -0.145 179 3HG2 VAL 29 3HG2 VAL 29 8.007 -1.107 -0.548 Start of MODEL 8 1 H CYS 1 H CYS 1 4.265 -1.891 -2.961 2 HA CYS 1 HA CYS 1 3.981 -4.236 -1.255 3 1HB CYS 1 1HB CYS 1 2.155 -1.907 -1.846 4 2HB CYS 1 2HB CYS 1 1.609 -3.346 -1.009 5 H GLY 2 H GLY 2 2.644 -2.631 -4.229 6 1HA GLY 2 1HA GLY 2 2.188 -3.697 -6.228 7 2HA GLY 2 2HA GLY 2 2.251 -5.259 -5.436 8 H GLU 3 H GLU 3 0.493 -3.816 -3.187 9 HA GLU 3 HA GLU 3 -1.963 -4.648 -4.425 10 1HB GLU 3 1HB GLU 3 -1.048 -5.133 -1.968 11 2HB GLU 3 2HB GLU 3 -1.792 -3.588 -1.604 12 1HG GLU 3 1HG GLU 3 -3.967 -4.396 -2.495 13 2HG GLU 3 2HG GLU 3 -3.236 -5.924 -2.944 14 H THR 4 H THR 4 -3.993 -3.267 -4.054 15 HA THR 4 HA THR 4 -3.294 -0.412 -4.267 16 HB THR 4 HB THR 4 -5.197 -0.305 -5.924 17 HG1 THR 4 1HG THR 4 -4.935 -3.214 -5.747 18 1HG2 THR 4 1HG2 THR 4 -3.278 -0.591 -7.234 19 2HG2 THR 4 2HG2 THR 4 -2.792 -2.071 -6.372 20 3HG2 THR 4 3HG2 THR 4 -4.093 -2.134 -7.585 21 H CYS 5 H CYS 5 -4.332 0.986 -2.955 22 HA CYS 5 HA CYS 5 -6.297 -0.225 -1.177 23 1HB CYS 5 1HB CYS 5 -5.793 1.453 0.392 24 2HB CYS 5 2HB CYS 5 -4.261 0.879 -0.234 25 H VAL 6 H VAL 6 -7.403 0.084 -3.628 26 HA VAL 6 HA VAL 6 -8.316 2.624 -4.305 27 HB VAL 6 HB VAL 6 -9.224 -0.188 -4.845 28 1HG1 VAL 6 1HG1 VAL 6 -10.713 2.346 -5.384 29 2HG1 VAL 6 2HG1 VAL 6 -10.682 1.111 -6.665 30 3HG1 VAL 6 3HG1 VAL 6 -11.321 0.706 -5.054 31 1HG2 VAL 6 1HG2 VAL 6 -7.332 0.298 -6.114 32 2HG2 VAL 6 2HG2 VAL 6 -8.661 0.686 -7.232 33 3HG2 VAL 6 3HG2 VAL 6 -7.812 1.992 -6.371 34 H GLY 7 H GLY 7 -9.240 0.392 -1.751 35 1HA GLY 7 1HA GLY 7 -11.840 1.600 -1.332 36 2HA GLY 7 2HA GLY 7 -11.074 0.340 -0.386 37 H GLY 8 H GLY 8 -8.476 1.898 -0.152 38 1HA GLY 8 1HA GLY 8 -7.993 4.091 0.777 39 2HA GLY 8 2HA GLY 8 -9.421 3.931 1.779 40 H THR 9 H THR 9 -7.673 0.955 1.280 41 HA THR 9 HA THR 9 -5.951 1.334 3.578 42 HB THR 9 HB THR 9 -8.219 -0.726 3.586 43 HG1 THR 9 1HG THR 9 -9.130 1.284 4.098 44 1HG2 THR 9 1HG2 THR 9 -6.052 0.084 5.583 45 2HG2 THR 9 2HG2 THR 9 -7.547 -0.741 6.085 46 3HG2 THR 9 3HG2 THR 9 -6.414 -1.550 4.977 47 H CYS 10 H CYS 10 -4.618 -0.687 3.987 48 HA CYS 10 HA CYS 10 -4.235 -2.057 1.424 49 1HB CYS 10 1HB CYS 10 -2.141 -1.057 3.362 50 2HB CYS 10 2HB CYS 10 -1.805 -2.174 2.054 51 H ASN 11 H ASN 11 -3.781 -4.325 1.580 52 HA ASN 11 HA ASN 11 -4.614 -5.438 4.091 53 1HB ASN 11 1HB ASN 11 -3.978 -6.678 1.365 54 2HB ASN 11 2HB ASN 11 -4.472 -7.631 2.751 55 1HD2 ASN 11 1HD2 ASN 11 -6.207 -8.236 1.272 56 2HD2 ASN 11 2HD2 ASN 11 -7.643 -7.271 1.192 57 H THR 12 H THR 12 -1.835 -5.543 1.755 58 HA THR 12 HA THR 12 -0.233 -7.356 3.110 59 HB THR 12 HB THR 12 0.388 -4.961 1.307 60 HG1 THR 12 1HG THR 12 0.669 -7.002 -0.097 61 1HG2 THR 12 1HG2 THR 12 2.368 -5.988 2.752 62 2HG2 THR 12 2HG2 THR 12 2.167 -7.394 1.680 63 3HG2 THR 12 3HG2 THR 12 2.582 -5.805 0.994 64 HA PRO 13 HA PRO 13 0.723 -5.499 6.696 65 1HB PRO 13 1HB PRO 13 2.972 -6.862 7.482 66 2HB PRO 13 2HB PRO 13 1.309 -7.533 7.583 67 1HG PRO 13 1HG PRO 13 3.456 -8.013 5.518 68 2HG PRO 13 2HG PRO 13 2.170 -9.117 6.111 69 1HD PRO 13 1HD PRO 13 2.074 -7.754 3.676 70 2HD PRO 13 2HD PRO 13 0.627 -8.341 4.563 71 H GLY 14 H GLY 14 1.486 -3.600 7.480 72 1HA GLY 14 1HA GLY 14 2.957 -1.906 7.770 73 2HA GLY 14 2HA GLY 14 4.209 -2.864 7.004 74 H CYS 15 H CYS 15 1.265 -2.660 5.158 75 HA CYS 15 HA CYS 15 2.631 -0.887 3.306 76 1HB CYS 15 1HB CYS 15 0.308 -2.788 3.024 77 2HB CYS 15 2HB CYS 15 0.682 -1.596 1.795 78 H THR 16 H THR 16 1.845 1.186 2.842 79 HA THR 16 HA THR 16 -0.443 2.046 4.469 80 HB THR 16 HB THR 16 0.580 4.300 4.175 81 HG1 THR 16 1HG THR 16 2.751 2.877 2.868 82 1HG2 THR 16 1HG2 THR 16 2.550 2.082 4.925 83 2HG2 THR 16 2HG2 THR 16 2.927 3.813 5.098 84 3HG2 THR 16 3HG2 THR 16 1.596 3.094 6.036 85 H CYS 17 H CYS 17 -2.071 3.438 3.565 86 HA CYS 17 HA CYS 17 -2.759 2.566 0.933 87 1HB CYS 17 1HB CYS 17 -4.475 2.721 2.622 88 2HB CYS 17 2HB CYS 17 -4.129 4.418 2.891 89 H SER 18 H SER 18 -1.215 3.491 -0.510 90 HA SER 18 HA SER 18 -1.157 6.393 -0.528 91 1HB SER 18 1HB SER 18 1.046 5.456 -0.644 92 2HB SER 18 2HB SER 18 0.568 4.261 -1.833 93 HG SER 18 HG SER 18 0.653 7.126 -2.274 94 H TRP 19 H TRP 19 -3.556 6.157 -1.240 95 HA TRP 19 HA TRP 19 -4.541 4.815 -3.300 96 1HB TRP 19 1HB TRP 19 -5.429 6.852 -1.766 97 2HB TRP 19 2HB TRP 19 -5.298 7.677 -3.306 98 HD1 TRP 19 HD TRP 19 -7.327 4.904 -1.585 99 HE1 TRP 19 1HE TRP 19 -9.471 4.268 -2.985 100 HE3 TRP 19 3HE TRP 19 -6.107 7.651 -5.686 101 HZ2 TRP 19 2HZ TRP 19 -10.396 4.969 -5.592 102 HZ3 TRP 19 3HZ TRP 19 -7.685 7.620 -7.616 103 HH2 TRP 19 HH TRP 19 -9.767 6.340 -7.613 104 HA PRO 20 HA PRO 20 -5.603 4.768 -4.864 105 1HB PRO 20 1HB PRO 20 -5.621 3.475 -7.271 106 2HB PRO 20 2HB PRO 20 -6.507 4.956 -6.973 107 1HG PRO 20 1HG PRO 20 -4.001 4.570 -8.493 108 2HG PRO 20 2HG PRO 20 -5.113 5.923 -8.536 109 1HD PRO 20 1HD PRO 20 -2.572 5.831 -7.209 110 2HD PRO 20 2HD PRO 20 -3.735 7.140 -7.156 111 H VAL 21 H VAL 21 -2.354 4.168 -5.377 112 HA VAL 21 HA VAL 21 -2.734 1.285 -5.121 113 HB VAL 21 HB VAL 21 -1.265 2.562 -6.876 114 1HG1 VAL 21 1HG1 VAL 21 -0.029 3.572 -4.692 115 2HG1 VAL 21 2HG1 VAL 21 0.986 2.139 -4.984 116 3HG1 VAL 21 3HG1 VAL 21 0.773 3.355 -6.267 117 1HG2 VAL 21 1HG2 VAL 21 0.198 0.282 -5.605 118 2HG2 VAL 21 2HG2 VAL 21 -1.465 0.004 -6.176 119 3HG2 VAL 21 3HG2 VAL 21 -0.217 0.569 -7.312 120 H CYS 22 H CYS 22 -0.692 0.310 -3.772 121 HA CYS 22 HA CYS 22 -0.959 1.604 -1.171 122 1HB CYS 22 1HB CYS 22 -0.392 -1.221 -2.029 123 2HB CYS 22 2HB CYS 22 0.034 -0.673 -0.419 124 H THR 23 H THR 23 1.158 1.224 0.249 125 HA THR 23 HA THR 23 3.589 1.321 -1.340 126 HB THR 23 HB THR 23 4.069 3.523 0.138 127 HG1 THR 23 1HG THR 23 1.893 3.302 1.117 128 1HG2 THR 23 1HG2 THR 23 2.311 3.471 -2.371 129 2HG2 THR 23 2HG2 THR 23 3.061 4.942 -1.707 130 3HG2 THR 23 3HG2 THR 23 4.084 3.624 -2.328 131 H ARG 24 H ARG 24 5.561 1.439 0.142 132 HA ARG 24 HA ARG 24 4.920 0.297 2.722 133 1HB ARG 24 1HB ARG 24 5.368 -1.712 1.524 134 2HB ARG 24 2HB ARG 24 6.608 -0.963 0.537 135 1HG ARG 24 1HG ARG 24 8.252 -1.343 2.087 136 2HG ARG 24 2HG ARG 24 7.231 -0.868 3.430 137 1HD ARG 24 1HD ARG 24 6.429 -3.028 3.778 138 2HD ARG 24 2HD ARG 24 6.532 -3.461 2.083 139 HE ARG 24 HE ARG 24 9.162 -3.011 3.266 140 1HH1 ARG 24 2HH2 ARG 24 6.590 -5.377 2.852 141 2HH1 ARG 24 1HH2 ARG 24 7.637 -6.741 3.064 142 1HH2 ARG 24 2HH1 ARG 24 10.543 -4.810 3.545 143 2HH2 ARG 24 1HH1 ARG 24 9.901 -6.416 3.461 144 H ASN 25 H ASN 25 6.029 1.456 4.267 145 HA ASN 25 HA ASN 25 7.497 2.732 5.222 146 1HB ASN 25 1HB ASN 25 9.331 1.313 3.241 147 2HB ASN 25 2HB ASN 25 9.974 2.510 4.348 148 1HD2 ASN 25 1HD2 ASN 25 10.298 -0.447 4.078 149 2HD2 ASN 25 2HD2 ASN 25 9.976 -1.113 5.644 150 H GLY 26 H GLY 26 6.048 3.580 2.642 151 1HA GLY 26 1HA GLY 26 5.874 5.631 1.651 152 2HA GLY 26 2HA GLY 26 7.446 6.088 2.276 153 H LEU 27 H LEU 27 7.045 2.981 0.607 154 HA LEU 27 HA LEU 27 7.981 4.114 -1.894 155 1HB LEU 27 1HB LEU 27 9.556 1.964 -0.478 156 2HB LEU 27 2HB LEU 27 9.913 2.689 -2.033 157 HG LEU 27 HG LEU 27 9.835 4.337 0.496 158 1HD1 LEU 27 1HD1 LEU 27 12.528 3.758 -0.280 159 2HD1 LEU 27 2HD1 LEU 27 11.708 3.441 1.268 160 3HD1 LEU 27 3HD1 LEU 27 11.655 2.227 -0.033 161 1HD2 LEU 27 1HD2 LEU 27 10.103 5.975 -0.987 162 2HD2 LEU 27 2HD2 LEU 27 11.746 5.342 -1.250 163 3HD2 LEU 27 3HD2 LEU 27 10.414 4.831 -2.315 164 HA PRO 28 HA PRO 28 5.026 1.333 -3.019 165 1HB PRO 28 1HB PRO 28 5.206 1.482 -5.754 166 2HB PRO 28 2HB PRO 28 4.390 2.716 -4.736 167 1HG PRO 28 1HG PRO 28 7.146 2.750 -5.965 168 2HG PRO 28 2HG PRO 28 6.025 4.112 -5.629 169 1HD PRO 28 1HD PRO 28 8.246 3.476 -4.059 170 2HD PRO 28 2HD PRO 28 6.810 4.376 -3.462 171 H VAL 29 H VAL 29 6.016 -0.534 -2.015 172 HA VAL 29 HA VAL 29 6.925 -2.352 -4.126 173 HB VAL 29 HB VAL 29 8.608 -3.251 -2.621 174 1HG1 VAL 29 1HG1 VAL 29 9.716 -1.771 -3.947 175 2HG1 VAL 29 2HG1 VAL 29 8.657 -0.410 -3.508 176 3HG1 VAL 29 3HG1 VAL 29 9.949 -0.926 -2.398 177 1HG2 VAL 29 1HG2 VAL 29 8.148 -0.936 -0.735 178 2HG2 VAL 29 2HG2 VAL 29 7.315 -2.495 -0.521 179 3HG2 VAL 29 3HG2 VAL 29 9.093 -2.423 -0.478 Start of MODEL 9 1 H CYS 1 H CYS 1 4.336 -1.936 -2.899 2 HA CYS 1 HA CYS 1 3.957 -4.312 -1.255 3 1HB CYS 1 1HB CYS 1 2.139 -1.978 -1.873 4 2HB CYS 1 2HB CYS 1 1.626 -3.403 -0.991 5 H GLY 2 H GLY 2 2.544 -2.594 -4.142 6 1HA GLY 2 1HA GLY 2 2.162 -3.598 -6.207 7 2HA GLY 2 2HA GLY 2 2.221 -5.186 -5.467 8 H GLU 3 H GLU 3 0.447 -3.816 -3.184 9 HA GLU 3 HA GLU 3 -1.997 -4.636 -4.442 10 1HB GLU 3 1HB GLU 3 -1.095 -5.116 -1.980 11 2HB GLU 3 2HB GLU 3 -1.846 -3.574 -1.620 12 1HG GLU 3 1HG GLU 3 -4.013 -4.391 -2.528 13 2HG GLU 3 2HG GLU 3 -3.273 -5.919 -2.961 14 H THR 4 H THR 4 -4.036 -3.271 -4.100 15 HA THR 4 HA THR 4 -3.352 -0.412 -4.328 16 HB THR 4 HB THR 4 -5.276 -0.331 -5.962 17 HG1 THR 4 1HG THR 4 -6.317 -2.275 -5.063 18 1HG2 THR 4 1HG2 THR 4 -4.187 -2.179 -7.614 19 2HG2 THR 4 2HG2 THR 4 -3.375 -0.627 -7.295 20 3HG2 THR 4 3HG2 THR 4 -2.870 -2.093 -6.420 21 H CYS 5 H CYS 5 -4.387 1.001 -3.028 22 HA CYS 5 HA CYS 5 -6.345 -0.196 -1.227 23 1HB CYS 5 1HB CYS 5 -5.801 1.454 0.353 24 2HB CYS 5 2HB CYS 5 -4.280 0.871 -0.293 25 H VAL 6 H VAL 6 -7.437 0.159 -3.688 26 HA VAL 6 HA VAL 6 -8.316 2.719 -4.330 27 HB VAL 6 HB VAL 6 -9.234 -0.075 -4.920 28 1HG1 VAL 6 1HG1 VAL 6 -10.611 2.476 -5.823 29 2HG1 VAL 6 2HG1 VAL 6 -10.891 0.863 -6.523 30 3HG1 VAL 6 3HG1 VAL 6 -11.305 1.180 -4.821 31 1HG2 VAL 6 1HG2 VAL 6 -7.839 2.144 -6.401 32 2HG2 VAL 6 2HG2 VAL 6 -7.369 0.438 -6.209 33 3HG2 VAL 6 3HG2 VAL 6 -8.709 0.875 -7.296 34 H GLY 7 H GLY 7 -9.270 0.469 -1.806 35 1HA GLY 7 1HA GLY 7 -11.853 1.716 -1.376 36 2HA GLY 7 2HA GLY 7 -11.120 0.418 -0.456 37 H GLY 8 H GLY 8 -8.491 1.866 -0.133 38 1HA GLY 8 1HA GLY 8 -7.949 4.024 0.839 39 2HA GLY 8 2HA GLY 8 -9.400 3.902 1.813 40 H THR 9 H THR 9 -7.721 0.883 1.290 41 HA THR 9 HA THR 9 -6.049 1.169 3.637 42 HB THR 9 HB THR 9 -8.151 -1.028 3.639 43 HG1 THR 9 1HG THR 9 -9.379 0.584 4.940 44 1HG2 THR 9 1HG2 THR 9 -7.023 0.549 5.985 45 2HG2 THR 9 2HG2 THR 9 -7.743 -1.079 5.988 46 3HG2 THR 9 3HG2 THR 9 -6.117 -0.825 5.308 47 H CYS 10 H CYS 10 -4.611 -0.692 3.953 48 HA CYS 10 HA CYS 10 -4.296 -2.137 1.422 49 1HB CYS 10 1HB CYS 10 -2.165 -1.101 3.300 50 2HB CYS 10 2HB CYS 10 -1.856 -2.202 1.972 51 H ASN 11 H ASN 11 -3.765 -4.395 1.606 52 HA ASN 11 HA ASN 11 -4.557 -5.489 4.137 53 1HB ASN 11 1HB ASN 11 -4.035 -6.623 1.360 54 2HB ASN 11 2HB ASN 11 -4.177 -7.706 2.731 55 1HD2 ASN 11 1HD2 ASN 11 -5.864 -7.201 0.327 56 2HD2 ASN 11 2HD2 ASN 11 -7.470 -6.916 0.911 57 H THR 12 H THR 12 -1.814 -5.719 1.750 58 HA THR 12 HA THR 12 -0.156 -7.409 3.142 59 HB THR 12 HB THR 12 0.416 -5.021 1.313 60 HG1 THR 12 1HG THR 12 0.254 -7.946 1.086 61 1HG2 THR 12 1HG2 THR 12 2.417 -6.010 2.756 62 2HG2 THR 12 2HG2 THR 12 2.230 -7.428 1.696 63 3HG2 THR 12 3HG2 THR 12 2.620 -5.838 0.996 64 HA PRO 13 HA PRO 13 0.772 -5.489 6.703 65 1HB PRO 13 1HB PRO 13 3.049 -6.800 7.500 66 2HB PRO 13 2HB PRO 13 1.398 -7.501 7.613 67 1HG PRO 13 1HG PRO 13 3.549 -7.967 5.548 68 2HG PRO 13 2HG PRO 13 2.285 -9.087 6.159 69 1HD PRO 13 1HD PRO 13 2.157 -7.756 3.707 70 2HD PRO 13 2HD PRO 13 0.723 -8.359 4.606 71 H GLY 14 H GLY 14 1.510 -3.573 7.472 72 1HA GLY 14 1HA GLY 14 2.948 -1.847 7.733 73 2HA GLY 14 2HA GLY 14 4.214 -2.791 6.975 74 H CYS 15 H CYS 15 1.284 -2.690 5.115 75 HA CYS 15 HA CYS 15 2.602 -0.885 3.257 76 1HB CYS 15 1HB CYS 15 0.344 -2.863 2.967 77 2HB CYS 15 2HB CYS 15 0.711 -1.680 1.727 78 H THR 16 H THR 16 1.887 1.218 3.024 79 HA THR 16 HA THR 16 -0.509 1.969 4.521 80 HB THR 16 HB THR 16 0.464 4.203 4.437 81 HG1 THR 16 1HG THR 16 2.497 3.006 2.714 82 1HG2 THR 16 1HG2 THR 16 2.072 3.602 5.944 83 2HG2 THR 16 2HG2 THR 16 2.073 1.940 5.307 84 3HG2 THR 16 3HG2 THR 16 3.138 3.171 4.585 85 H CYS 17 H CYS 17 -2.064 3.496 3.573 86 HA CYS 17 HA CYS 17 -2.743 2.576 0.945 87 1HB CYS 17 1HB CYS 17 -4.481 2.770 2.609 88 2HB CYS 17 2HB CYS 17 -4.119 4.466 2.861 89 H SER 18 H SER 18 -1.179 3.468 -0.493 90 HA SER 18 HA SER 18 -1.053 6.366 -0.519 91 1HB SER 18 1HB SER 18 1.136 5.563 -0.711 92 2HB SER 18 2HB SER 18 0.657 4.152 -1.633 93 HG SER 18 HG SER 18 0.345 5.464 -3.492 94 H TRP 19 H TRP 19 -3.459 6.200 -1.223 95 HA TRP 19 HA TRP 19 -4.484 4.877 -3.281 96 1HB TRP 19 1HB TRP 19 -5.280 6.988 -1.745 97 2HB TRP 19 2HB TRP 19 -5.218 7.730 -3.332 98 HD1 TRP 19 HD TRP 19 -7.127 4.984 -1.412 99 HE1 TRP 19 1HE TRP 19 -9.352 4.314 -2.663 100 HE3 TRP 19 3HE TRP 19 -6.198 7.689 -5.616 101 HZ2 TRP 19 2HZ TRP 19 -10.449 4.976 -5.213 102 HZ3 TRP 19 3HZ TRP 19 -7.897 7.622 -7.439 103 HH2 TRP 19 HH TRP 19 -9.964 6.326 -7.287 104 HA PRO 20 HA PRO 20 -5.566 4.877 -4.840 105 1HB PRO 20 1HB PRO 20 -5.636 3.600 -7.255 106 2HB PRO 20 2HB PRO 20 -6.478 5.104 -6.942 107 1HG PRO 20 1HG PRO 20 -3.994 4.656 -8.481 108 2HG PRO 20 2HG PRO 20 -5.067 6.041 -8.508 109 1HD PRO 20 1HD PRO 20 -2.521 5.867 -7.198 110 2HD PRO 20 2HD PRO 20 -3.646 7.209 -7.129 111 H VAL 21 H VAL 21 -2.340 4.195 -5.354 112 HA VAL 21 HA VAL 21 -2.795 1.320 -5.112 113 HB VAL 21 HB VAL 21 -0.515 1.090 -5.840 114 1HG1 VAL 21 1HG1 VAL 21 -0.726 2.607 -8.023 115 2HG1 VAL 21 2HG1 VAL 21 -1.767 1.189 -7.754 116 3HG1 VAL 21 3HG1 VAL 21 -2.381 2.823 -7.405 117 1HG2 VAL 21 1HG2 VAL 21 0.665 2.842 -4.797 118 2HG2 VAL 21 2HG2 VAL 21 0.748 3.216 -6.535 119 3HG2 VAL 21 3HG2 VAL 21 -0.397 4.091 -5.489 120 H CYS 22 H CYS 22 -0.737 0.309 -3.785 121 HA CYS 22 HA CYS 22 -0.985 1.582 -1.173 122 1HB CYS 22 1HB CYS 22 -0.417 -1.240 -2.048 123 2HB CYS 22 2HB CYS 22 -0.020 -0.699 -0.429 124 H THR 23 H THR 23 1.115 1.260 0.238 125 HA THR 23 HA THR 23 3.555 1.289 -1.338 126 HB THR 23 HB THR 23 4.040 3.538 0.067 127 HG1 THR 23 1HG THR 23 2.096 4.061 0.999 128 1HG2 THR 23 1HG2 THR 23 4.075 3.557 -2.400 129 2HG2 THR 23 2HG2 THR 23 2.302 3.407 -2.453 130 3HG2 THR 23 3HG2 THR 23 3.051 4.899 -1.834 131 H ARG 24 H ARG 24 5.518 1.484 0.171 132 HA ARG 24 HA ARG 24 4.860 0.444 2.785 133 1HB ARG 24 1HB ARG 24 5.259 -1.628 1.682 134 2HB ARG 24 2HB ARG 24 6.512 -0.955 0.658 135 1HG ARG 24 1HG ARG 24 8.129 -0.965 2.397 136 2HG ARG 24 2HG ARG 24 6.917 -1.013 3.661 137 1HD ARG 24 1HD ARG 24 6.924 -3.287 3.673 138 2HD ARG 24 2HD ARG 24 6.606 -3.350 1.951 139 HE ARG 24 HE ARG 24 9.273 -2.692 2.010 140 1HH1 ARG 24 2HH2 ARG 24 7.413 -5.211 3.615 141 2HH1 ARG 24 1HH2 ARG 24 8.737 -6.324 3.682 142 1HH2 ARG 24 2HH1 ARG 24 11.021 -4.160 2.098 143 2HH2 ARG 24 1HH1 ARG 24 10.804 -5.723 2.813 144 H ASN 25 H ASN 25 6.007 1.639 4.275 145 HA ASN 25 HA ASN 25 7.513 2.913 5.171 146 1HB ASN 25 1HB ASN 25 9.013 0.913 4.591 147 2HB ASN 25 2HB ASN 25 9.509 1.773 3.147 148 1HD2 ASN 25 1HD2 ASN 25 9.763 1.489 6.567 149 2HD2 ASN 25 2HD2 ASN 25 10.990 2.678 6.848 150 H GLY 26 H GLY 26 6.044 3.700 2.586 151 1HA GLY 26 1HA GLY 26 5.889 5.705 1.510 152 2HA GLY 26 2HA GLY 26 7.461 6.176 2.125 153 H LEU 27 H LEU 27 7.121 3.005 0.595 154 HA LEU 27 HA LEU 27 8.046 4.052 -1.953 155 1HB LEU 27 1HB LEU 27 9.607 1.925 -0.493 156 2HB LEU 27 2HB LEU 27 9.989 2.667 -2.034 157 HG LEU 27 HG LEU 27 9.866 4.276 0.520 158 1HD1 LEU 27 1HD1 LEU 27 12.067 2.515 -0.504 159 2HD1 LEU 27 2HD1 LEU 27 12.464 4.032 0.339 160 3HD1 LEU 27 3HD1 LEU 27 11.499 2.783 1.161 161 1HD2 LEU 27 1HD2 LEU 27 10.323 4.889 -2.247 162 2HD2 LEU 27 2HD2 LEU 27 10.238 5.982 -0.845 163 3HD2 LEU 27 3HD2 LEU 27 11.792 5.248 -1.307 164 HA PRO 28 HA PRO 28 5.086 1.236 -2.982 165 1HB PRO 28 1HB PRO 28 5.257 1.306 -5.721 166 2HB PRO 28 2HB PRO 28 4.440 2.567 -4.737 167 1HG PRO 28 1HG PRO 28 7.192 2.574 -5.975 168 2HG PRO 28 2HG PRO 28 6.068 3.941 -5.674 169 1HD PRO 28 1HD PRO 28 8.296 3.357 -4.093 170 2HD PRO 28 2HD PRO 28 6.859 4.270 -3.518 171 H VAL 29 H VAL 29 6.079 -0.601 -1.930 172 HA VAL 29 HA VAL 29 7.051 -2.452 -3.989 173 HB VAL 29 HB VAL 29 8.604 -3.367 -2.309 174 1HG1 VAL 29 1HG1 VAL 29 9.577 -1.904 -3.900 175 2HG1 VAL 29 2HG1 VAL 29 8.896 -0.462 -3.110 176 3HG1 VAL 29 3HG1 VAL 29 10.201 -1.377 -2.319 177 1HG2 VAL 29 1HG2 VAL 29 7.318 -2.499 -0.316 178 2HG2 VAL 29 2HG2 VAL 29 9.080 -2.259 -0.245 179 3HG2 VAL 29 3HG2 VAL 29 8.012 -0.895 -0.656 Start of MODEL 10 1 H CYS 1 H CYS 1 4.359 -1.888 -2.988 2 HA CYS 1 HA CYS 1 4.053 -4.239 -1.294 3 1HB CYS 1 1HB CYS 1 2.258 -1.885 -1.876 4 2HB CYS 1 2HB CYS 1 1.675 -3.331 -1.076 5 H GLY 2 H GLY 2 2.632 -2.598 -4.217 6 1HA GLY 2 1HA GLY 2 2.204 -3.649 -6.241 7 2HA GLY 2 2HA GLY 2 2.278 -5.219 -5.467 8 H GLU 3 H GLU 3 0.529 -3.818 -3.190 9 HA GLU 3 HA GLU 3 -1.929 -4.660 -4.408 10 1HB GLU 3 1HB GLU 3 -0.993 -5.113 -1.952 11 2HB GLU 3 2HB GLU 3 -1.750 -3.572 -1.598 12 1HG GLU 3 1HG GLU 3 -3.922 -4.409 -2.462 13 2HG GLU 3 2HG GLU 3 -3.180 -5.932 -2.910 14 H THR 4 H THR 4 -3.970 -3.293 -4.026 15 HA THR 4 HA THR 4 -3.295 -0.435 -4.290 16 HB THR 4 HB THR 4 -5.205 -0.355 -5.922 17 HG1 THR 4 1HG THR 4 -5.001 -3.264 -5.668 18 1HG2 THR 4 1HG2 THR 4 -4.175 -2.247 -7.555 19 2HG2 THR 4 2HG2 THR 4 -3.313 -0.720 -7.254 20 3HG2 THR 4 3HG2 THR 4 -2.851 -2.192 -6.366 21 H CYS 5 H CYS 5 -4.341 0.989 -3.006 22 HA CYS 5 HA CYS 5 -6.270 -0.209 -1.174 23 1HB CYS 5 1HB CYS 5 -5.721 1.448 0.390 24 2HB CYS 5 2HB CYS 5 -4.199 0.894 -0.279 25 H VAL 6 H VAL 6 -7.353 0.133 -3.659 26 HA VAL 6 HA VAL 6 -8.276 2.680 -4.288 27 HB VAL 6 HB VAL 6 -9.185 -0.121 -4.885 28 1HG1 VAL 6 1HG1 VAL 6 -11.217 1.267 -4.811 29 2HG1 VAL 6 2HG1 VAL 6 -10.470 2.420 -5.943 30 3HG1 VAL 6 3HG1 VAL 6 -10.829 0.759 -6.472 31 1HG2 VAL 6 1HG2 VAL 6 -7.754 2.075 -6.378 32 2HG2 VAL 6 2HG2 VAL 6 -7.255 0.389 -6.103 33 3HG2 VAL 6 3HG2 VAL 6 -8.570 0.753 -7.246 34 H GLY 7 H GLY 7 -9.190 0.411 -1.771 35 1HA GLY 7 1HA GLY 7 -11.810 1.567 -1.352 36 2HA GLY 7 2HA GLY 7 -11.017 0.325 -0.402 37 H GLY 8 H GLY 8 -8.446 1.909 -0.128 38 1HA GLY 8 1HA GLY 8 -8.050 4.139 0.786 39 2HA GLY 8 2HA GLY 8 -9.460 3.913 1.800 40 H THR 9 H THR 9 -7.740 0.957 1.350 41 HA THR 9 HA THR 9 -5.904 1.398 3.546 42 HB THR 9 HB THR 9 -7.775 0.883 4.918 43 HG1 THR 9 1HG THR 9 -6.814 -1.730 4.012 44 1HG2 THR 9 1HG2 THR 9 -9.669 0.093 3.895 45 2HG2 THR 9 2HG2 THR 9 -8.740 -0.494 2.495 46 3HG2 THR 9 3HG2 THR 9 -8.906 -1.514 3.944 47 H CYS 10 H CYS 10 -4.618 -0.664 3.993 48 HA CYS 10 HA CYS 10 -4.349 -2.109 1.458 49 1HB CYS 10 1HB CYS 10 -2.164 -1.165 3.323 50 2HB CYS 10 2HB CYS 10 -1.914 -2.282 1.996 51 H ASN 11 H ASN 11 -3.859 -4.388 1.668 52 HA ASN 11 HA ASN 11 -4.705 -5.419 4.217 53 1HB ASN 11 1HB ASN 11 -5.748 -6.419 2.246 54 2HB ASN 11 2HB ASN 11 -4.194 -6.691 1.484 55 1HD2 ASN 11 1HD2 ASN 11 -4.658 -8.877 1.248 56 2HD2 ASN 11 2HD2 ASN 11 -4.567 -10.005 2.560 57 H THR 12 H THR 12 -1.952 -5.553 1.866 58 HA THR 12 HA THR 12 -0.369 -7.398 3.232 59 HB THR 12 HB THR 12 0.246 -5.079 1.333 60 HG1 THR 12 1HG THR 12 -0.785 -6.706 0.191 61 1HG2 THR 12 1HG2 THR 12 2.023 -7.502 1.789 62 2HG2 THR 12 2HG2 THR 12 2.432 -5.952 1.016 63 3HG2 THR 12 3HG2 THR 12 2.248 -6.043 2.784 64 HA PRO 13 HA PRO 13 0.693 -5.449 6.739 65 1HB PRO 13 1HB PRO 13 2.937 -6.825 7.521 66 2HB PRO 13 2HB PRO 13 1.266 -7.465 7.675 67 1HG PRO 13 1HG PRO 13 3.362 -8.042 5.583 68 2HG PRO 13 2HG PRO 13 2.072 -9.107 6.236 69 1HD PRO 13 1HD PRO 13 1.946 -7.816 3.762 70 2HD PRO 13 2HD PRO 13 0.509 -8.353 4.696 71 H GLY 14 H GLY 14 1.509 -3.546 7.459 72 1HA GLY 14 1HA GLY 14 3.035 -1.886 7.684 73 2HA GLY 14 2HA GLY 14 4.231 -2.870 6.865 74 H CYS 15 H CYS 15 1.352 -2.816 5.021 75 HA CYS 15 HA CYS 15 2.599 -0.964 3.176 76 1HB CYS 15 1HB CYS 15 0.327 -2.932 2.921 77 2HB CYS 15 2HB CYS 15 0.687 -1.752 1.676 78 H THR 16 H THR 16 1.881 1.140 2.960 79 HA THR 16 HA THR 16 -0.495 1.884 4.495 80 HB THR 16 HB THR 16 0.483 4.121 4.416 81 HG1 THR 16 1HG THR 16 2.527 2.921 2.711 82 1HG2 THR 16 1HG2 THR 16 2.053 3.479 5.947 83 2HG2 THR 16 2HG2 THR 16 2.092 1.837 5.263 84 3HG2 THR 16 3HG2 THR 16 3.147 3.104 4.595 85 H CYS 17 H CYS 17 -2.083 3.372 3.587 86 HA CYS 17 HA CYS 17 -2.765 2.506 0.947 87 1HB CYS 17 1HB CYS 17 -4.500 2.663 2.607 88 2HB CYS 17 2HB CYS 17 -4.133 4.349 2.914 89 H SER 18 H SER 18 -1.188 3.426 -0.469 90 HA SER 18 HA SER 18 -1.093 6.325 -0.467 91 1HB SER 18 1HB SER 18 1.103 5.526 -0.650 92 2HB SER 18 2HB SER 18 0.637 4.141 -1.617 93 HG SER 18 HG SER 18 0.226 5.600 -3.412 94 H TRP 19 H TRP 19 -3.495 6.141 -1.181 95 HA TRP 19 HA TRP 19 -4.504 4.833 -3.253 96 1HB TRP 19 1HB TRP 19 -5.324 6.918 -1.706 97 2HB TRP 19 2HB TRP 19 -5.242 7.688 -3.277 98 HD1 TRP 19 HD TRP 19 -7.185 4.925 -1.425 99 HE1 TRP 19 1HE TRP 19 -9.389 4.270 -2.720 100 HE3 TRP 19 3HE TRP 19 -6.177 7.666 -5.587 101 HZ2 TRP 19 2HZ TRP 19 -10.440 4.958 -5.283 102 HZ3 TRP 19 3HZ TRP 19 -7.844 7.619 -7.440 103 HH2 TRP 19 HH TRP 19 -9.916 6.326 -7.336 104 HA PRO 20 HA PRO 20 -5.580 4.838 -4.817 105 1HB PRO 20 1HB PRO 20 -5.635 3.575 -7.240 106 2HB PRO 20 2HB PRO 20 -6.484 5.075 -6.922 107 1HG PRO 20 1HG PRO 20 -3.992 4.645 -8.452 108 2HG PRO 20 2HG PRO 20 -5.070 6.026 -8.476 109 1HD PRO 20 1HD PRO 20 -2.529 5.854 -7.156 110 2HD PRO 20 2HD PRO 20 -3.659 7.192 -7.084 111 H VAL 21 H VAL 21 -2.349 4.173 -5.319 112 HA VAL 21 HA VAL 21 -2.799 1.294 -5.088 113 HB VAL 21 HB VAL 21 -1.381 2.368 -6.911 114 1HG1 VAL 21 1HG1 VAL 21 0.648 2.606 -4.666 115 2HG1 VAL 21 2HG1 VAL 21 0.882 3.011 -6.383 116 3HG1 VAL 21 3HG1 VAL 21 -0.228 3.980 -5.384 117 1HG2 VAL 21 1HG2 VAL 21 -1.229 -0.073 -5.636 118 2HG2 VAL 21 2HG2 VAL 21 -0.400 0.361 -7.150 119 3HG2 VAL 21 3HG2 VAL 21 0.458 0.492 -5.596 120 H CYS 22 H CYS 22 -0.730 0.284 -3.778 121 HA CYS 22 HA CYS 22 -0.955 1.558 -1.164 122 1HB CYS 22 1HB CYS 22 -0.388 -1.264 -2.043 123 2HB CYS 22 2HB CYS 22 0.017 -0.721 -0.427 124 H THR 23 H THR 23 1.166 1.208 0.226 125 HA THR 23 HA THR 23 3.590 1.242 -1.368 126 HB THR 23 HB THR 23 4.089 3.501 0.012 127 HG1 THR 23 1HG THR 23 2.174 4.266 0.815 128 1HG2 THR 23 1HG2 THR 23 2.280 3.419 -2.461 129 2HG2 THR 23 2HG2 THR 23 3.169 4.851 -1.889 130 3HG2 THR 23 3HG2 THR 23 4.060 3.429 -2.483 131 H ARG 24 H ARG 24 5.564 1.432 0.118 132 HA ARG 24 HA ARG 24 4.908 0.364 2.729 133 1HB ARG 24 1HB ARG 24 5.408 -1.656 1.543 134 2HB ARG 24 2HB ARG 24 6.698 -0.906 0.624 135 1HG ARG 24 1HG ARG 24 8.211 -0.948 2.445 136 2HG ARG 24 2HG ARG 24 6.932 -1.046 3.639 137 1HD ARG 24 1HD ARG 24 6.776 -3.337 3.481 138 2HD ARG 24 2HD ARG 24 6.962 -3.333 1.738 139 HE ARG 24 HE ARG 24 9.285 -3.583 1.993 140 1HH1 ARG 24 2HH2 ARG 24 7.848 -2.689 5.078 141 2HH1 ARG 24 1HH2 ARG 24 9.298 -2.972 5.981 142 1HH2 ARG 24 2HH1 ARG 24 11.199 -3.956 3.184 143 2HH2 ARG 24 1HH1 ARG 24 11.218 -3.697 4.897 144 H ASN 25 H ASN 25 5.986 1.566 4.266 145 HA ASN 25 HA ASN 25 7.409 2.906 5.202 146 1HB ASN 25 1HB ASN 25 8.980 0.929 4.545 147 2HB ASN 25 2HB ASN 25 9.550 1.952 3.242 148 1HD2 ASN 25 1HD2 ASN 25 11.556 2.398 3.872 149 2HD2 ASN 25 2HD2 ASN 25 12.008 3.216 5.330 150 H GLY 26 H GLY 26 5.981 3.661 2.586 151 1HA GLY 26 1HA GLY 26 5.784 5.664 1.514 152 2HA GLY 26 2HA GLY 26 7.319 6.188 2.178 153 H LEU 27 H LEU 27 6.976 3.044 0.529 154 HA LEU 27 HA LEU 27 8.014 4.145 -1.942 155 1HB LEU 27 1HB LEU 27 9.555 2.039 -0.423 156 2HB LEU 27 2HB LEU 27 9.957 2.718 -1.988 157 HG LEU 27 HG LEU 27 9.839 4.358 0.555 158 1HD1 LEU 27 1HD1 LEU 27 12.069 4.001 0.981 159 2HD1 LEU 27 2HD1 LEU 27 11.571 2.393 0.402 160 3HD1 LEU 27 3HD1 LEU 27 12.428 3.507 -0.691 161 1HD2 LEU 27 1HD2 LEU 27 9.613 5.450 -1.760 162 2HD2 LEU 27 2HD2 LEU 27 10.838 6.098 -0.643 163 3HD2 LEU 27 3HD2 LEU 27 11.328 5.028 -1.979 164 HA PRO 28 HA PRO 28 5.123 1.321 -3.126 165 1HB PRO 28 1HB PRO 28 5.394 1.435 -5.855 166 2HB PRO 28 2HB PRO 28 4.532 2.674 -4.882 167 1HG PRO 28 1HG PRO 28 7.327 2.720 -6.018 168 2HG PRO 28 2HG PRO 28 6.183 4.075 -5.738 169 1HD PRO 28 1HD PRO 28 8.355 3.482 -4.086 170 2HD PRO 28 2HD PRO 28 6.892 4.375 -3.549 171 H VAL 29 H VAL 29 6.039 -0.544 -2.082 172 HA VAL 29 HA VAL 29 7.046 -2.376 -4.132 173 HB VAL 29 HB VAL 29 8.694 -3.241 -2.563 174 1HG1 VAL 29 1HG1 VAL 29 10.103 -1.836 -3.565 175 2HG1 VAL 29 2HG1 VAL 29 8.777 -0.684 -3.855 176 3HG1 VAL 29 3HG1 VAL 29 9.722 -0.594 -2.349 177 1HG2 VAL 29 1HG2 VAL 29 9.103 -2.397 -0.424 178 2HG2 VAL 29 2HG2 VAL 29 8.218 -0.885 -0.741 179 3HG2 VAL 29 3HG2 VAL 29 7.326 -2.410 -0.520 Start of MODEL 11 1 H CYS 1 H CYS 1 4.361 -1.789 -3.043 2 HA CYS 1 HA CYS 1 4.136 -4.142 -1.339 3 1HB CYS 1 1HB CYS 1 2.424 -1.725 -1.800 4 2HB CYS 1 2HB CYS 1 1.688 -3.202 -1.209 5 H GLY 2 H GLY 2 2.702 -2.539 -4.271 6 1HA GLY 2 1HA GLY 2 2.234 -3.617 -6.268 7 2HA GLY 2 2HA GLY 2 2.299 -5.175 -5.468 8 H GLU 3 H GLU 3 0.584 -3.872 -3.174 9 HA GLU 3 HA GLU 3 -1.891 -4.639 -4.385 10 1HB GLU 3 1HB GLU 3 -0.939 -5.124 -1.942 11 2HB GLU 3 2HB GLU 3 -1.674 -3.578 -1.567 12 1HG GLU 3 1HG GLU 3 -3.865 -4.382 -2.413 13 2HG GLU 3 2HG GLU 3 -3.146 -5.907 -2.888 14 H THR 4 H THR 4 -3.916 -3.261 -3.987 15 HA THR 4 HA THR 4 -3.233 -0.401 -4.165 16 HB THR 4 HB THR 4 -5.090 -0.273 -5.867 17 HG1 THR 4 1HG THR 4 -4.828 -3.186 -5.703 18 1HG2 THR 4 1HG2 THR 4 -3.930 -2.116 -7.506 19 2HG2 THR 4 2HG2 THR 4 -3.177 -0.538 -7.172 20 3HG2 THR 4 3HG2 THR 4 -2.650 -1.984 -6.277 21 H CYS 5 H CYS 5 -4.336 0.973 -2.875 22 HA CYS 5 HA CYS 5 -6.314 -0.293 -1.150 23 1HB CYS 5 1HB CYS 5 -5.889 1.407 0.435 24 2HB CYS 5 2HB CYS 5 -4.338 0.820 -0.129 25 H VAL 6 H VAL 6 -7.447 -0.024 -3.552 26 HA VAL 6 HA VAL 6 -8.355 2.498 -4.296 27 HB VAL 6 HB VAL 6 -9.271 -0.326 -4.747 28 1HG1 VAL 6 1HG1 VAL 6 -11.373 0.570 -4.941 29 2HG1 VAL 6 2HG1 VAL 6 -10.768 2.193 -5.351 30 3HG1 VAL 6 3HG1 VAL 6 -10.761 0.904 -6.579 31 1HG2 VAL 6 1HG2 VAL 6 -7.853 1.806 -6.325 32 2HG2 VAL 6 2HG2 VAL 6 -7.418 0.099 -6.073 33 3HG2 VAL 6 3HG2 VAL 6 -8.752 0.524 -7.171 34 H GLY 7 H GLY 7 -9.280 0.335 -1.680 35 1HA GLY 7 1HA GLY 7 -11.866 1.569 -1.272 36 2HA GLY 7 2HA GLY 7 -11.096 0.336 -0.293 37 H GLY 8 H GLY 8 -8.486 1.914 -0.147 38 1HA GLY 8 1HA GLY 8 -8.001 4.135 0.720 39 2HA GLY 8 2HA GLY 8 -9.425 4.000 1.731 40 H THR 9 H THR 9 -7.726 0.995 1.328 41 HA THR 9 HA THR 9 -5.960 1.433 3.581 42 HB THR 9 HB THR 9 -8.243 -0.605 3.713 43 HG1 THR 9 1HG THR 9 -9.256 1.291 4.283 44 1HG2 THR 9 1HG2 THR 9 -7.589 -0.706 6.119 45 2HG2 THR 9 2HG2 THR 9 -6.229 -1.202 5.083 46 3HG2 THR 9 3HG2 THR 9 -6.252 0.425 5.803 47 H CYS 10 H CYS 10 -4.626 -0.558 4.035 48 HA CYS 10 HA CYS 10 -4.315 -2.043 1.526 49 1HB CYS 10 1HB CYS 10 -2.177 -1.024 3.405 50 2HB CYS 10 2HB CYS 10 -1.881 -2.180 2.122 51 H ASN 11 H ASN 11 -3.988 -4.311 1.749 52 HA ASN 11 HA ASN 11 -4.749 -5.309 4.329 53 1HB ASN 11 1HB ASN 11 -5.817 -6.252 2.297 54 2HB ASN 11 2HB ASN 11 -4.253 -6.690 1.640 55 1HD2 ASN 11 1HD2 ASN 11 -4.368 -8.832 1.563 56 2HD2 ASN 11 2HD2 ASN 11 -4.619 -9.890 2.911 57 H THR 12 H THR 12 -2.061 -5.534 1.907 58 HA THR 12 HA THR 12 -0.475 -7.389 3.239 59 HB THR 12 HB THR 12 0.141 -5.067 1.344 60 HG1 THR 12 1HG THR 12 0.217 -7.029 -0.073 61 1HG2 THR 12 1HG2 THR 12 2.308 -5.960 0.987 62 2HG2 THR 12 2HG2 THR 12 2.151 -6.084 2.755 63 3HG2 THR 12 3HG2 THR 12 1.888 -7.519 1.736 64 HA PRO 13 HA PRO 13 0.688 -5.483 6.737 65 1HB PRO 13 1HB PRO 13 2.929 -6.894 7.461 66 2HB PRO 13 2HB PRO 13 1.253 -7.514 7.645 67 1HG PRO 13 1HG PRO 13 3.298 -8.101 5.505 68 2HG PRO 13 2HG PRO 13 2.007 -9.154 6.176 69 1HD PRO 13 1HD PRO 13 1.848 -7.842 3.716 70 2HD PRO 13 2HD PRO 13 0.423 -8.367 4.676 71 H GLY 14 H GLY 14 1.517 -3.576 7.418 72 1HA GLY 14 1HA GLY 14 3.046 -1.919 7.611 73 2HA GLY 14 2HA GLY 14 4.244 -2.934 6.833 74 H CYS 15 H CYS 15 1.238 -2.692 5.089 75 HA CYS 15 HA CYS 15 2.588 -1.015 3.137 76 1HB CYS 15 1HB CYS 15 0.227 -2.879 2.996 77 2HB CYS 15 2HB CYS 15 0.550 -1.715 1.726 78 H THR 16 H THR 16 1.933 1.101 2.775 79 HA THR 16 HA THR 16 -0.299 2.056 4.411 80 HB THR 16 HB THR 16 0.787 4.303 3.805 81 HG1 THR 16 1HG THR 16 2.712 4.108 2.578 82 1HG2 THR 16 1HG2 THR 16 1.523 2.649 5.811 83 2HG2 THR 16 2HG2 THR 16 3.005 2.532 4.832 84 3HG2 THR 16 3HG2 THR 16 2.460 4.115 5.435 85 H CYS 17 H CYS 17 -1.931 3.461 3.543 86 HA CYS 17 HA CYS 17 -2.713 2.567 0.933 87 1HB CYS 17 1HB CYS 17 -4.369 2.680 2.691 88 2HB CYS 17 2HB CYS 17 -4.050 4.384 2.945 89 H SER 18 H SER 18 -1.272 3.532 -0.575 90 HA SER 18 HA SER 18 -1.300 6.442 -0.563 91 1HB SER 18 1HB SER 18 0.679 6.380 -1.905 92 2HB SER 18 2HB SER 18 0.917 5.177 -0.653 93 HG SER 18 HG SER 18 0.275 3.523 -2.180 94 H TRP 19 H TRP 19 -3.674 6.110 -1.291 95 HA TRP 19 HA TRP 19 -4.600 4.721 -3.345 96 1HB TRP 19 1HB TRP 19 -5.607 6.674 -1.831 97 2HB TRP 19 2HB TRP 19 -5.412 7.584 -3.316 98 HD1 TRP 19 HD TRP 19 -7.531 4.771 -1.817 99 HE1 TRP 19 1HE TRP 19 -9.575 4.158 -3.370 100 HE3 TRP 19 3HE TRP 19 -6.031 7.575 -5.784 101 HZ2 TRP 19 2HZ TRP 19 -10.317 4.898 -6.024 102 HZ3 TRP 19 3HZ TRP 19 -7.472 7.575 -7.818 103 HH2 TRP 19 HH TRP 19 -9.550 6.297 -7.977 104 HA PRO 20 HA PRO 20 -5.639 4.611 -4.913 105 1HB PRO 20 1HB PRO 20 -5.589 3.287 -7.303 106 2HB PRO 20 2HB PRO 20 -6.534 4.738 -7.031 107 1HG PRO 20 1HG PRO 20 -4.003 4.429 -8.528 108 2HG PRO 20 2HG PRO 20 -5.166 5.738 -8.595 109 1HD PRO 20 1HD PRO 20 -2.633 5.759 -7.249 110 2HD PRO 20 2HD PRO 20 -3.846 7.024 -7.221 111 H VAL 21 H VAL 21 -2.365 4.117 -5.432 112 HA VAL 21 HA VAL 21 -2.644 1.227 -5.137 113 HB VAL 21 HB VAL 21 -0.071 2.705 -5.578 114 1HG1 VAL 21 1HG1 VAL 21 -0.248 0.412 -7.186 115 2HG1 VAL 21 2HG1 VAL 21 0.664 0.598 -5.669 116 3HG1 VAL 21 3HG1 VAL 21 -0.995 -0.046 -5.636 117 1HG2 VAL 21 1HG2 VAL 21 -0.567 2.371 -8.084 118 2HG2 VAL 21 2HG2 VAL 21 -2.275 2.258 -7.595 119 3HG2 VAL 21 3HG2 VAL 21 -1.349 3.740 -7.257 120 H CYS 22 H CYS 22 -0.637 0.301 -3.751 121 HA CYS 22 HA CYS 22 -0.905 1.655 -1.181 122 1HB CYS 22 1HB CYS 22 -0.383 -1.196 -1.973 123 2HB CYS 22 2HB CYS 22 0.070 -0.620 -0.381 124 H THR 23 H THR 23 1.201 1.296 0.255 125 HA THR 23 HA THR 23 3.624 1.400 -1.369 126 HB THR 23 HB THR 23 4.163 3.515 0.175 127 HG1 THR 23 1HG THR 23 1.254 3.217 -0.046 128 1HG2 THR 23 1HG2 THR 23 4.101 4.050 -2.131 129 2HG2 THR 23 2HG2 THR 23 2.454 3.405 -2.331 130 3HG2 THR 23 3HG2 THR 23 2.705 4.966 -1.514 131 H ARG 24 H ARG 24 5.619 1.475 0.115 132 HA ARG 24 HA ARG 24 5.000 0.115 2.598 133 1HB ARG 24 1HB ARG 24 5.552 -1.759 1.231 134 2HB ARG 24 2HB ARG 24 6.777 -0.874 0.343 135 1HG ARG 24 1HG ARG 24 8.405 -1.321 1.892 136 2HG ARG 24 2HG ARG 24 7.338 -1.013 3.248 137 1HD ARG 24 1HD ARG 24 6.856 -3.231 3.511 138 2HD ARG 24 2HD ARG 24 6.563 -3.458 1.799 139 HE ARG 24 HE ARG 24 8.818 -4.102 1.495 140 1HH1 ARG 24 2HH2 ARG 24 8.333 -2.833 4.741 141 2HH1 ARG 24 1HH2 ARG 24 9.873 -3.374 5.321 142 1HH2 ARG 24 2HH1 ARG 24 10.850 -4.816 2.259 143 2HH2 ARG 24 1HH1 ARG 24 11.314 -4.509 3.899 144 H ASN 25 H ASN 25 5.966 1.302 4.214 145 HA ASN 25 HA ASN 25 7.351 2.578 5.287 146 1HB ASN 25 1HB ASN 25 9.345 1.317 3.346 147 2HB ASN 25 2HB ASN 25 9.867 2.429 4.595 148 1HD2 ASN 25 1HD2 ASN 25 10.276 -0.494 4.100 149 2HD2 ASN 25 2HD2 ASN 25 9.857 -1.294 5.578 150 H GLY 26 H GLY 26 6.035 3.459 2.632 151 1HA GLY 26 1HA GLY 26 5.861 5.569 1.744 152 2HA GLY 26 2HA GLY 26 7.421 6.004 2.415 153 H LEU 27 H LEU 27 7.053 2.952 0.641 154 HA LEU 27 HA LEU 27 8.048 4.166 -1.800 155 1HB LEU 27 1HB LEU 27 9.572 1.963 -0.407 156 2HB LEU 27 2HB LEU 27 9.965 2.708 -1.944 157 HG LEU 27 HG LEU 27 9.853 4.332 0.596 158 1HD1 LEU 27 1HD1 LEU 27 11.426 2.232 0.636 159 2HD1 LEU 27 2HD1 LEU 27 12.454 3.239 -0.411 160 3HD1 LEU 27 3HD1 LEU 27 12.004 3.813 1.213 161 1HD2 LEU 27 1HD2 LEU 27 9.893 5.719 -1.306 162 2HD2 LEU 27 2HD2 LEU 27 11.572 5.678 -0.715 163 3HD2 LEU 27 3HD2 LEU 27 11.102 4.703 -2.128 164 HA PRO 28 HA PRO 28 5.096 1.454 -3.089 165 1HB PRO 28 1HB PRO 28 5.337 1.699 -5.812 166 2HB PRO 28 2HB PRO 28 4.509 2.903 -4.769 167 1HG PRO 28 1HG PRO 28 7.292 2.957 -5.935 168 2HG PRO 28 2HG PRO 28 6.175 4.316 -5.574 169 1HD PRO 28 1HD PRO 28 8.355 3.604 -3.979 170 2HD PRO 28 2HD PRO 28 6.914 4.495 -3.382 171 H VAL 29 H VAL 29 6.128 -0.431 -2.109 172 HA VAL 29 HA VAL 29 6.985 -2.210 -4.272 173 HB VAL 29 HB VAL 29 8.739 -3.108 -2.885 174 1HG1 VAL 29 1HG1 VAL 29 10.080 -1.591 -3.817 175 2HG1 VAL 29 2HG1 VAL 29 8.712 -0.462 -3.966 176 3HG1 VAL 29 3HG1 VAL 29 9.716 -0.454 -2.496 177 1HG2 VAL 29 1HG2 VAL 29 7.440 -2.431 -0.712 178 2HG2 VAL 29 2HG2 VAL 29 9.219 -2.500 -0.700 179 3HG2 VAL 29 3HG2 VAL 29 8.390 -0.931 -0.840 Start of MODEL 12 1 H CYS 1 H CYS 1 4.339 -1.871 -3.012 2 HA CYS 1 HA CYS 1 4.067 -4.217 -1.306 3 1HB CYS 1 1HB CYS 1 2.230 -1.897 -1.899 4 2HB CYS 1 2HB CYS 1 1.689 -3.339 -1.063 5 H GLY 2 H GLY 2 2.360 -2.601 -4.097 6 1HA GLY 2 1HA GLY 2 2.035 -3.695 -6.167 7 2HA GLY 2 2HA GLY 2 2.082 -5.249 -5.357 8 H GLU 3 H GLU 3 0.373 -3.956 -3.072 9 HA GLU 3 HA GLU 3 -2.108 -4.670 -4.306 10 1HB GLU 3 1HB GLU 3 -1.808 -5.587 -2.134 11 2HB GLU 3 2HB GLU 3 -1.218 -4.076 -1.471 12 1HG GLU 3 1HG GLU 3 -3.383 -3.104 -1.399 13 2HG GLU 3 2HG GLU 3 -4.031 -4.213 -2.591 14 H THR 4 H THR 4 -4.038 -3.302 -4.295 15 HA THR 4 HA THR 4 -3.335 -0.441 -4.306 16 HB THR 4 HB THR 4 -5.195 -0.284 -5.990 17 HG1 THR 4 1HG THR 4 -6.473 -2.085 -5.403 18 1HG2 THR 4 1HG2 THR 4 -2.811 -2.057 -6.394 19 2HG2 THR 4 2HG2 THR 4 -4.122 -2.245 -7.583 20 3HG2 THR 4 3HG2 THR 4 -3.351 -0.657 -7.350 21 H CYS 5 H CYS 5 -4.323 0.932 -2.944 22 HA CYS 5 HA CYS 5 -6.319 -0.262 -1.198 23 1HB CYS 5 1HB CYS 5 -5.813 1.407 0.374 24 2HB CYS 5 2HB CYS 5 -4.278 0.850 -0.262 25 H VAL 6 H VAL 6 -7.399 0.060 -3.672 26 HA VAL 6 HA VAL 6 -8.323 2.599 -4.333 27 HB VAL 6 HB VAL 6 -9.200 -0.214 -4.907 28 1HG1 VAL 6 1HG1 VAL 6 -11.282 1.022 -4.851 29 2HG1 VAL 6 2HG1 VAL 6 -10.583 2.319 -5.851 30 3HG1 VAL 6 3HG1 VAL 6 -10.839 0.700 -6.545 31 1HG2 VAL 6 1HG2 VAL 6 -8.638 0.676 -7.280 32 2HG2 VAL 6 2HG2 VAL 6 -7.832 2.009 -6.419 33 3HG2 VAL 6 3HG2 VAL 6 -7.302 0.330 -6.156 34 H GLY 7 H GLY 7 -9.256 0.341 -1.806 35 1HA GLY 7 1HA GLY 7 -11.868 1.522 -1.400 36 2HA GLY 7 2HA GLY 7 -11.093 0.270 -0.449 37 H GLY 8 H GLY 8 -8.508 1.850 -0.182 38 1HA GLY 8 1HA GLY 8 -8.073 4.056 0.746 39 2HA GLY 8 2HA GLY 8 -9.504 3.868 1.739 40 H THR 9 H THR 9 -7.748 0.906 1.275 41 HA THR 9 HA THR 9 -6.015 1.318 3.560 42 HB THR 9 HB THR 9 -7.929 0.720 4.834 43 HG1 THR 9 1HG THR 9 -6.882 -1.844 3.885 44 1HG2 THR 9 1HG2 THR 9 -8.929 -1.681 3.674 45 2HG2 THR 9 2HG2 THR 9 -9.770 -0.115 3.767 46 3HG2 THR 9 3HG2 THR 9 -8.801 -0.521 2.331 47 H CYS 10 H CYS 10 -4.699 -0.724 3.999 48 HA CYS 10 HA CYS 10 -4.315 -2.116 1.449 49 1HB CYS 10 1HB CYS 10 -2.195 -1.113 3.358 50 2HB CYS 10 2HB CYS 10 -1.886 -2.201 2.020 51 H ASN 11 H ASN 11 -3.902 -4.380 1.633 52 HA ASN 11 HA ASN 11 -4.673 -5.447 4.183 53 1HB ASN 11 1HB ASN 11 -5.626 -6.329 2.013 54 2HB ASN 11 2HB ASN 11 -4.023 -6.856 1.539 55 1HD2 ASN 11 1HD2 ASN 11 -6.812 -7.980 2.567 56 2HD2 ASN 11 2HD2 ASN 11 -6.349 -9.327 3.553 57 H THR 12 H THR 12 -1.928 -5.480 1.824 58 HA THR 12 HA THR 12 -0.308 -7.329 3.146 59 HB THR 12 HB THR 12 0.268 -4.961 1.294 60 HG1 THR 12 1HG THR 12 -1.070 -6.956 0.709 61 1HG2 THR 12 1HG2 THR 12 2.062 -7.384 1.675 62 2HG2 THR 12 2HG2 THR 12 2.457 -5.811 0.941 63 3HG2 THR 12 3HG2 THR 12 2.285 -5.951 2.707 64 HA PRO 13 HA PRO 13 0.734 -5.424 6.683 65 1HB PRO 13 1HB PRO 13 3.003 -6.775 7.433 66 2HB PRO 13 2HB PRO 13 1.343 -7.446 7.582 67 1HG PRO 13 1HG PRO 13 3.441 -7.951 5.473 68 2HG PRO 13 2HG PRO 13 2.171 -9.048 6.111 69 1HD PRO 13 1HD PRO 13 2.014 -7.717 3.661 70 2HD PRO 13 2HD PRO 13 0.590 -8.294 4.591 71 H GLY 14 H GLY 14 1.519 -3.519 7.432 72 1HA GLY 14 1HA GLY 14 2.990 -1.816 7.658 73 2HA GLY 14 2HA GLY 14 4.226 -2.785 6.882 74 H CYS 15 H CYS 15 1.269 -2.644 5.070 75 HA CYS 15 HA CYS 15 2.583 -0.853 3.193 76 1HB CYS 15 1HB CYS 15 0.322 -2.829 2.923 77 2HB CYS 15 2HB CYS 15 0.676 -1.646 1.680 78 H THR 16 H THR 16 1.875 1.253 2.973 79 HA THR 16 HA THR 16 -0.503 2.011 4.491 80 HB THR 16 HB THR 16 0.463 4.299 4.210 81 HG1 THR 16 1HG THR 16 2.450 4.381 2.934 82 1HG2 THR 16 1HG2 THR 16 2.837 3.828 5.136 83 2HG2 THR 16 2HG2 THR 16 1.486 3.175 6.093 84 3HG2 THR 16 3HG2 THR 16 2.422 2.100 5.026 85 H CYS 17 H CYS 17 -2.112 3.466 3.574 86 HA CYS 17 HA CYS 17 -2.788 2.569 0.937 87 1HB CYS 17 1HB CYS 17 -4.513 2.686 2.624 88 2HB CYS 17 2HB CYS 17 -4.201 4.390 2.893 89 H SER 18 H SER 18 -1.166 3.535 -0.425 90 HA SER 18 HA SER 18 -1.185 6.432 -0.454 91 1HB SER 18 1HB SER 18 0.627 4.302 -1.585 92 2HB SER 18 2HB SER 18 0.602 5.872 -2.363 93 HG SER 18 HG SER 18 1.044 5.481 0.473 94 H TRP 19 H TRP 19 -3.568 6.172 -1.201 95 HA TRP 19 HA TRP 19 -4.517 4.819 -3.267 96 1HB TRP 19 1HB TRP 19 -5.417 6.888 -1.763 97 2HB TRP 19 2HB TRP 19 -5.302 7.666 -3.329 98 HD1 TRP 19 HD TRP 19 -7.282 4.909 -1.521 99 HE1 TRP 19 1HE TRP 19 -9.427 4.210 -2.889 100 HE3 TRP 19 3HE TRP 19 -6.133 7.577 -5.694 101 HZ2 TRP 19 2HZ TRP 19 -10.381 4.837 -5.504 102 HZ3 TRP 19 3HZ TRP 19 -7.724 7.479 -7.610 103 HH2 TRP 19 HH TRP 19 -9.788 6.170 -7.562 104 HA PRO 20 HA PRO 20 -5.559 4.758 -4.844 105 1HB PRO 20 1HB PRO 20 -5.539 3.447 -7.242 106 2HB PRO 20 2HB PRO 20 -6.435 4.928 -6.967 107 1HG PRO 20 1HG PRO 20 -3.908 4.540 -8.451 108 2HG PRO 20 2HG PRO 20 -5.024 5.889 -8.518 109 1HD PRO 20 1HD PRO 20 -2.501 5.816 -7.156 110 2HD PRO 20 2HD PRO 20 -3.669 7.121 -7.128 111 H VAL 21 H VAL 21 -2.302 4.171 -5.299 112 HA VAL 21 HA VAL 21 -2.680 1.286 -5.013 113 HB VAL 21 HB VAL 21 -0.061 2.667 -5.495 114 1HG1 VAL 21 1HG1 VAL 21 -1.219 -0.062 -5.839 115 2HG1 VAL 21 2HG1 VAL 21 -0.012 0.474 -7.032 116 3HG1 VAL 21 3HG1 VAL 21 0.402 0.439 -5.301 117 1HG2 VAL 21 1HG2 VAL 21 -2.124 2.051 -7.639 118 2HG2 VAL 21 2HG2 VAL 21 -1.636 3.675 -7.096 119 3HG2 VAL 21 3HG2 VAL 21 -0.459 2.618 -7.912 120 H CYS 22 H CYS 22 -0.632 0.335 -3.658 121 HA CYS 22 HA CYS 22 -0.874 1.683 -1.083 122 1HB CYS 22 1HB CYS 22 -0.233 -1.164 -1.845 123 2HB CYS 22 2HB CYS 22 0.037 -0.545 -0.228 124 H THR 23 H THR 23 1.241 1.367 0.329 125 HA THR 23 HA THR 23 3.661 1.420 -1.291 126 HB THR 23 HB THR 23 4.200 3.621 0.114 127 HG1 THR 23 1HG THR 23 1.293 3.275 -0.019 128 1HG2 THR 23 1HG2 THR 23 4.049 3.841 -2.299 129 2HG2 THR 23 2HG2 THR 23 2.303 3.494 -2.281 130 3HG2 THR 23 3HG2 THR 23 2.912 5.032 -1.624 131 H ARG 24 H ARG 24 5.646 1.338 0.055 132 HA ARG 24 HA ARG 24 5.037 0.251 2.679 133 1HB ARG 24 1HB ARG 24 5.472 -1.738 1.443 134 2HB ARG 24 2HB ARG 24 6.705 -0.975 0.458 135 1HG ARG 24 1HG ARG 24 8.360 -1.385 1.987 136 2HG ARG 24 2HG ARG 24 7.354 -0.921 3.345 137 1HD ARG 24 1HD ARG 24 6.182 -3.134 3.235 138 2HD ARG 24 2HD ARG 24 7.187 -3.598 1.876 139 HE ARG 24 HE ARG 24 8.956 -4.018 3.352 140 1HH1 ARG 24 2HH2 ARG 24 6.536 -2.049 4.980 141 2HH1 ARG 24 1HH2 ARG 24 7.300 -2.165 6.530 142 1HH2 ARG 24 2HH1 ARG 24 9.964 -4.171 5.397 143 2HH2 ARG 24 1HH1 ARG 24 9.263 -3.380 6.769 144 H ASN 25 H ASN 25 6.145 1.418 4.217 145 HA ASN 25 HA ASN 25 7.624 2.681 5.174 146 1HB ASN 25 1HB ASN 25 9.429 1.241 3.188 147 2HB ASN 25 2HB ASN 25 10.097 2.462 4.252 148 1HD2 ASN 25 1HD2 ASN 25 10.373 -0.519 4.032 149 2HD2 ASN 25 2HD2 ASN 25 10.096 -1.140 5.625 150 H GLY 26 H GLY 26 6.146 3.576 2.648 151 1HA GLY 26 1HA GLY 26 5.978 5.627 1.663 152 2HA GLY 26 2HA GLY 26 7.559 6.070 2.274 153 H LEU 27 H LEU 27 7.194 2.966 0.618 154 HA LEU 27 HA LEU 27 8.086 4.120 -1.896 155 1HB LEU 27 1HB LEU 27 9.655 1.923 -0.554 156 2HB LEU 27 2HB LEU 27 10.021 2.734 -2.063 157 HG LEU 27 HG LEU 27 9.907 4.288 0.514 158 1HD1 LEU 27 1HD1 LEU 27 12.497 3.928 0.446 159 2HD1 LEU 27 2HD1 LEU 27 11.442 2.725 1.225 160 3HD1 LEU 27 3HD1 LEU 27 12.070 2.429 -0.414 161 1HD2 LEU 27 1HD2 LEU 27 11.930 5.005 -1.451 162 2HD2 LEU 27 2HD2 LEU 27 10.289 5.013 -2.141 163 3HD2 LEU 27 3HD2 LEU 27 10.654 5.995 -0.702 164 HA PRO 28 HA PRO 28 5.102 1.366 -3.013 165 1HB PRO 28 1HB PRO 28 5.247 1.547 -5.749 166 2HB PRO 28 2HB PRO 28 4.448 2.772 -4.705 167 1HG PRO 28 1HG PRO 28 7.188 2.812 -5.969 168 2HG PRO 28 2HG PRO 28 6.076 4.173 -5.601 169 1HD PRO 28 1HD PRO 28 8.315 3.511 -4.067 170 2HD PRO 28 2HD PRO 28 6.890 4.408 -3.441 171 H VAL 29 H VAL 29 6.115 -0.512 -2.041 172 HA VAL 29 HA VAL 29 6.985 -2.308 -4.187 173 HB VAL 29 HB VAL 29 8.695 -3.221 -2.737 174 1HG1 VAL 29 1HG1 VAL 29 10.201 -1.721 -3.455 175 2HG1 VAL 29 2HG1 VAL 29 8.810 -0.794 -4.065 176 3HG1 VAL 29 3HG1 VAL 29 9.500 -0.416 -2.469 177 1HG2 VAL 29 1HG2 VAL 29 7.395 -2.512 -0.603 178 2HG2 VAL 29 2HG2 VAL 29 9.175 -2.507 -0.568 179 3HG2 VAL 29 3HG2 VAL 29 8.284 -0.978 -0.764 Start of MODEL 13 1 H CYS 1 H CYS 1 4.342 -1.900 -2.936 2 HA CYS 1 HA CYS 1 3.946 -4.237 -1.241 3 1HB CYS 1 1HB CYS 1 2.213 -1.846 -1.864 4 2HB CYS 1 2HB CYS 1 1.599 -3.268 -1.044 5 H GLY 2 H GLY 2 2.651 -2.574 -4.207 6 1HA GLY 2 1HA GLY 2 2.196 -3.606 -6.225 7 2HA GLY 2 2HA GLY 2 2.243 -5.180 -5.456 8 H GLU 3 H GLU 3 0.492 -3.838 -3.177 9 HA GLU 3 HA GLU 3 -1.965 -4.610 -4.433 10 1HB GLU 3 1HB GLU 3 -1.058 -5.121 -1.980 11 2HB GLU 3 2HB GLU 3 -1.791 -3.574 -1.603 12 1HG GLU 3 1HG GLU 3 -3.970 -4.362 -2.511 13 2HG GLU 3 2HG GLU 3 -3.247 -5.895 -2.956 14 H THR 4 H THR 4 -3.989 -3.228 -4.072 15 HA THR 4 HA THR 4 -3.284 -0.372 -4.248 16 HB THR 4 HB THR 4 -5.173 -0.244 -5.920 17 HG1 THR 4 1HG THR 4 -6.360 -2.112 -6.135 18 1HG2 THR 4 1HG2 THR 4 -3.263 -0.522 -7.235 19 2HG2 THR 4 2HG2 THR 4 -2.755 -1.987 -6.361 20 3HG2 THR 4 3HG2 THR 4 -4.051 -2.081 -7.578 21 H CYS 5 H CYS 5 -4.333 1.015 -2.934 22 HA CYS 5 HA CYS 5 -6.295 -0.211 -1.167 23 1HB CYS 5 1HB CYS 5 -5.818 1.477 0.397 24 2HB CYS 5 2HB CYS 5 -4.275 0.930 -0.229 25 H VAL 6 H VAL 6 -7.392 0.077 -3.630 26 HA VAL 6 HA VAL 6 -8.346 2.600 -4.312 27 HB VAL 6 HB VAL 6 -9.190 -0.228 -4.859 28 1HG1 VAL 6 1HG1 VAL 6 -10.901 0.555 -6.411 29 2HG1 VAL 6 2HG1 VAL 6 -11.266 1.112 -4.760 30 3HG1 VAL 6 3HG1 VAL 6 -10.578 2.244 -5.950 31 1HG2 VAL 6 1HG2 VAL 6 -7.324 0.296 -6.141 32 2HG2 VAL 6 2HG2 VAL 6 -8.662 0.689 -7.248 33 3HG2 VAL 6 3HG2 VAL 6 -7.824 1.990 -6.368 34 H GLY 7 H GLY 7 -9.249 0.350 -1.766 35 1HA GLY 7 1HA GLY 7 -11.869 1.516 -1.359 36 2HA GLY 7 2HA GLY 7 -11.087 0.268 -0.409 37 H GLY 8 H GLY 8 -8.510 1.862 -0.152 38 1HA GLY 8 1HA GLY 8 -8.078 4.071 0.776 39 2HA GLY 8 2HA GLY 8 -9.506 3.877 1.773 40 H THR 9 H THR 9 -7.749 0.918 1.302 41 HA THR 9 HA THR 9 -6.002 1.330 3.575 42 HB THR 9 HB THR 9 -8.251 -0.749 3.640 43 HG1 THR 9 1HG THR 9 -9.120 1.349 4.009 44 1HG2 THR 9 1HG2 THR 9 -6.127 0.177 5.637 45 2HG2 THR 9 2HG2 THR 9 -7.590 -0.710 6.127 46 3HG2 THR 9 3HG2 THR 9 -6.403 -1.479 5.047 47 H CYS 10 H CYS 10 -4.647 -0.664 3.991 48 HA CYS 10 HA CYS 10 -4.299 -2.080 1.448 49 1HB CYS 10 1HB CYS 10 -2.177 -1.055 3.343 50 2HB CYS 10 2HB CYS 10 -1.862 -2.176 2.034 51 H ASN 11 H ASN 11 -3.845 -4.345 1.633 52 HA ASN 11 HA ASN 11 -4.632 -5.417 4.177 53 1HB ASN 11 1HB ASN 11 -4.137 -6.610 1.411 54 2HB ASN 11 2HB ASN 11 -4.398 -7.642 2.803 55 1HD2 ASN 11 1HD2 ASN 11 -5.914 -6.718 0.253 56 2HD2 ASN 11 2HD2 ASN 11 -7.532 -6.435 0.803 57 H THR 12 H THR 12 -1.905 -5.590 1.781 58 HA THR 12 HA THR 12 -0.276 -7.374 3.126 59 HB THR 12 HB THR 12 0.308 -4.991 1.296 60 HG1 THR 12 1HG THR 12 0.022 -7.905 1.120 61 1HG2 THR 12 1HG2 THR 12 2.318 -5.984 2.719 62 2HG2 THR 12 2HG2 THR 12 2.110 -7.408 1.672 63 3HG2 THR 12 3HG2 THR 12 2.503 -5.827 0.956 64 HA PRO 13 HA PRO 13 0.739 -5.499 6.687 65 1HB PRO 13 1HB PRO 13 3.001 -6.859 7.442 66 2HB PRO 13 2HB PRO 13 1.340 -7.529 7.574 67 1HG PRO 13 1HG PRO 13 3.453 -8.019 5.475 68 2HG PRO 13 2HG PRO 13 2.178 -9.120 6.096 69 1HD PRO 13 1HD PRO 13 2.040 -7.769 3.655 70 2HD PRO 13 2HD PRO 13 0.608 -8.352 4.569 71 H GLY 14 H GLY 14 1.520 -3.601 7.457 72 1HA GLY 14 1HA GLY 14 2.989 -1.901 7.708 73 2HA GLY 14 2HA GLY 14 4.232 -2.866 6.937 74 H CYS 15 H CYS 15 1.254 -2.656 5.136 75 HA CYS 15 HA CYS 15 2.603 -0.896 3.254 76 1HB CYS 15 1HB CYS 15 0.298 -2.821 2.997 77 2HB CYS 15 2HB CYS 15 0.652 -1.632 1.759 78 H THR 16 H THR 16 1.853 1.192 2.876 79 HA THR 16 HA THR 16 -0.455 2.026 4.479 80 HB THR 16 HB THR 16 0.553 4.273 4.233 81 HG1 THR 16 1HG THR 16 2.677 2.920 2.777 82 1HG2 THR 16 1HG2 THR 16 2.792 3.912 5.218 83 2HG2 THR 16 2HG2 THR 16 1.643 2.767 5.951 84 3HG2 THR 16 3HG2 THR 16 2.773 2.212 4.692 85 H CYS 17 H CYS 17 -2.067 3.464 3.575 86 HA CYS 17 HA CYS 17 -2.765 2.578 0.940 87 1HB CYS 17 1HB CYS 17 -4.489 2.684 2.612 88 2HB CYS 17 2HB CYS 17 -4.154 4.373 2.935 89 H SER 18 H SER 18 -1.239 3.541 -0.497 90 HA SER 18 HA SER 18 -1.234 6.445 -0.487 91 1HB SER 18 1HB SER 18 0.982 5.417 -0.576 92 2HB SER 18 2HB SER 18 0.514 4.406 -1.928 93 HG SER 18 HG SER 18 -0.016 6.819 -2.814 94 H TRP 19 H TRP 19 -3.619 6.180 -1.216 95 HA TRP 19 HA TRP 19 -4.576 4.831 -3.283 96 1HB TRP 19 1HB TRP 19 -5.491 6.864 -1.752 97 2HB TRP 19 2HB TRP 19 -5.371 7.681 -3.298 98 HD1 TRP 19 HD TRP 19 -7.360 4.889 -1.560 99 HE1 TRP 19 1HE TRP 19 -9.496 4.216 -2.956 100 HE3 TRP 19 3HE TRP 19 -6.181 7.632 -5.677 101 HZ2 TRP 19 2HZ TRP 19 -10.432 4.890 -5.566 102 HZ3 TRP 19 3HZ TRP 19 -7.759 7.569 -7.605 103 HH2 TRP 19 HH TRP 19 -9.823 6.259 -7.595 104 HA PRO 20 HA PRO 20 -5.631 4.776 -4.852 105 1HB PRO 20 1HB PRO 20 -5.625 3.488 -7.262 106 2HB PRO 20 2HB PRO 20 -6.529 4.959 -6.964 107 1HG PRO 20 1HG PRO 20 -4.013 4.604 -8.475 108 2HG PRO 20 2HG PRO 20 -5.140 5.945 -8.519 109 1HD PRO 20 1HD PRO 20 -2.603 5.877 -7.182 110 2HD PRO 20 2HD PRO 20 -3.781 7.174 -7.130 111 H VAL 21 H VAL 21 -2.373 4.212 -5.358 112 HA VAL 21 HA VAL 21 -2.726 1.323 -5.112 113 HB VAL 21 HB VAL 21 -1.273 2.624 -6.867 114 1HG1 VAL 21 1HG1 VAL 21 0.939 2.214 -4.897 115 2HG1 VAL 21 2HG1 VAL 21 0.820 3.339 -6.271 116 3HG1 VAL 21 3HG1 VAL 21 -0.044 3.690 -4.755 117 1HG2 VAL 21 1HG2 VAL 21 -0.757 0.512 -7.353 118 2HG2 VAL 21 2HG2 VAL 21 0.477 0.517 -6.071 119 3HG2 VAL 21 3HG2 VAL 21 -1.189 0.012 -5.700 120 H CYS 22 H CYS 22 -0.703 0.346 -3.762 121 HA CYS 22 HA CYS 22 -0.945 1.654 -1.166 122 1HB CYS 22 1HB CYS 22 -0.393 -1.184 -2.003 123 2HB CYS 22 2HB CYS 22 0.004 -0.623 -0.391 124 H THR 23 H THR 23 1.178 1.229 0.247 125 HA THR 23 HA THR 23 3.604 1.276 -1.342 126 HB THR 23 HB THR 23 4.140 3.506 0.044 127 HG1 THR 23 1HG THR 23 1.841 3.110 0.978 128 1HG2 THR 23 1HG2 THR 23 2.228 3.510 -2.352 129 2HG2 THR 23 2HG2 THR 23 3.187 4.903 -1.795 130 3HG2 THR 23 3HG2 THR 23 4.004 3.467 -2.457 131 H ARG 24 H ARG 24 5.576 1.440 0.159 132 HA ARG 24 HA ARG 24 4.917 0.366 2.761 133 1HB ARG 24 1HB ARG 24 5.325 -1.681 1.606 134 2HB ARG 24 2HB ARG 24 6.596 -0.985 0.621 135 1HG ARG 24 1HG ARG 24 8.187 -1.058 2.370 136 2HG ARG 24 2HG ARG 24 6.962 -1.088 3.624 137 1HD ARG 24 1HD ARG 24 6.665 -3.377 3.479 138 2HD ARG 24 2HD ARG 24 6.877 -3.405 1.740 139 HE ARG 24 HE ARG 24 9.375 -2.731 3.017 140 1HH1 ARG 24 2HH2 ARG 24 7.227 -5.454 2.424 141 2HH1 ARG 24 1HH2 ARG 24 8.492 -6.635 2.510 142 1HH2 ARG 24 2HH1 ARG 24 11.044 -4.287 3.130 143 2HH2 ARG 24 1HH1 ARG 24 10.677 -5.967 2.914 144 H ASN 25 H ASN 25 6.039 1.569 4.263 145 HA ASN 25 HA ASN 25 7.538 2.834 5.184 146 1HB ASN 25 1HB ASN 25 9.040 0.827 4.561 147 2HB ASN 25 2HB ASN 25 9.572 1.750 3.170 148 1HD2 ASN 25 1HD2 ASN 25 9.722 1.327 6.584 149 2HD2 ASN 25 2HD2 ASN 25 10.941 2.502 6.949 150 H GLY 26 H GLY 26 6.092 3.633 2.585 151 1HA GLY 26 1HA GLY 26 5.940 5.649 1.527 152 2HA GLY 26 2HA GLY 26 7.506 6.118 2.159 153 H LEU 27 H LEU 27 7.207 2.955 0.613 154 HA LEU 27 HA LEU 27 8.165 4.032 -1.917 155 1HB LEU 27 1HB LEU 27 9.668 1.849 -0.480 156 2HB LEU 27 2HB LEU 27 10.092 2.635 -1.988 157 HG LEU 27 HG LEU 27 9.896 4.254 0.540 158 1HD1 LEU 27 1HD1 LEU 27 11.723 3.408 1.491 159 2HD1 LEU 27 2HD1 LEU 27 11.540 2.022 0.389 160 3HD1 LEU 27 3HD1 LEU 27 12.609 3.375 -0.052 161 1HD2 LEU 27 1HD2 LEU 27 11.947 4.684 -1.581 162 2HD2 LEU 27 2HD2 LEU 27 10.253 5.074 -1.964 163 3HD2 LEU 27 3HD2 LEU 27 11.057 5.858 -0.583 164 HA PRO 28 HA PRO 28 5.190 1.280 -3.058 165 1HB PRO 28 1HB PRO 28 5.441 1.365 -5.790 166 2HB PRO 28 2HB PRO 28 4.624 2.637 -4.820 167 1HG PRO 28 1HG PRO 28 7.409 2.593 -5.979 168 2HG PRO 28 2HG PRO 28 6.307 3.982 -5.700 169 1HD PRO 28 1HD PRO 28 8.475 3.340 -4.061 170 2HD PRO 28 2HD PRO 28 7.042 4.279 -3.520 171 H VAL 29 H VAL 29 6.074 -0.598 -2.003 172 HA VAL 29 HA VAL 29 7.028 -2.467 -4.046 173 HB VAL 29 HB VAL 29 8.605 -3.393 -2.410 174 1HG1 VAL 29 1HG1 VAL 29 9.421 -1.806 -4.068 175 2HG1 VAL 29 2HG1 VAL 29 8.995 -0.440 -3.009 176 3HG1 VAL 29 3HG1 VAL 29 10.281 -1.573 -2.528 177 1HG2 VAL 29 1HG2 VAL 29 8.073 -0.935 -0.716 178 2HG2 VAL 29 2HG2 VAL 29 7.358 -2.531 -0.386 179 3HG2 VAL 29 3HG2 VAL 29 9.125 -2.320 -0.340 Start of MODEL 14 1 H CYS 1 H CYS 1 4.220 -1.893 -3.015 2 HA CYS 1 HA CYS 1 3.954 -4.234 -1.302 3 1HB CYS 1 1HB CYS 1 2.122 -1.900 -1.862 4 2HB CYS 1 2HB CYS 1 1.605 -3.326 -0.984 5 H GLY 2 H GLY 2 2.629 -2.638 -4.280 6 1HA GLY 2 1HA GLY 2 2.129 -3.729 -6.257 7 2HA GLY 2 2HA GLY 2 2.124 -5.274 -5.429 8 H GLU 3 H GLU 3 0.421 -4.116 -3.160 9 HA GLU 3 HA GLU 3 -2.062 -4.666 -4.450 10 1HB GLU 3 1HB GLU 3 -1.356 -5.514 -2.143 11 2HB GLU 3 2HB GLU 3 -1.583 -3.882 -1.545 12 1HG GLU 3 1HG GLU 3 -3.974 -4.015 -2.561 13 2HG GLU 3 2HG GLU 3 -3.688 -5.735 -2.734 14 H THR 4 H THR 4 -3.976 -3.246 -4.328 15 HA THR 4 HA THR 4 -3.193 -0.407 -4.221 16 HB THR 4 HB THR 4 -4.980 -0.110 -5.954 17 HG1 THR 4 1HG THR 4 -6.256 -1.972 -5.269 18 1HG2 THR 4 1HG2 THR 4 -3.108 -0.499 -7.273 19 2HG2 THR 4 2HG2 THR 4 -2.662 -1.968 -6.372 20 3HG2 THR 4 3HG2 THR 4 -3.942 -2.036 -7.608 21 H CYS 5 H CYS 5 -4.299 0.986 -2.938 22 HA CYS 5 HA CYS 5 -6.296 -0.273 -1.235 23 1HB CYS 5 1HB CYS 5 -5.863 1.403 0.362 24 2HB CYS 5 2HB CYS 5 -4.307 0.852 -0.227 25 H VAL 6 H VAL 6 -7.365 0.035 -3.694 26 HA VAL 6 HA VAL 6 -8.302 2.564 -4.378 27 HB VAL 6 HB VAL 6 -9.146 -0.260 -4.948 28 1HG1 VAL 6 1HG1 VAL 6 -10.687 2.245 -5.501 29 2HG1 VAL 6 2HG1 VAL 6 -10.626 0.996 -6.768 30 3HG1 VAL 6 3HG1 VAL 6 -11.263 0.597 -5.154 31 1HG2 VAL 6 1HG2 VAL 6 -7.763 1.965 -6.433 32 2HG2 VAL 6 2HG2 VAL 6 -7.262 0.273 -6.202 33 3HG2 VAL 6 3HG2 VAL 6 -8.587 0.663 -7.325 34 H GLY 7 H GLY 7 -9.238 0.310 -1.849 35 1HA GLY 7 1HA GLY 7 -11.863 1.473 -1.472 36 2HA GLY 7 2HA GLY 7 -11.089 0.229 -0.510 37 H GLY 8 H GLY 8 -8.520 1.802 -0.201 38 1HA GLY 8 1HA GLY 8 -8.110 4.018 0.722 39 2HA GLY 8 2HA GLY 8 -9.546 3.819 1.707 40 H THR 9 H THR 9 -7.747 0.877 1.252 41 HA THR 9 HA THR 9 -6.036 1.307 3.548 42 HB THR 9 HB THR 9 -7.950 0.693 4.814 43 HG1 THR 9 1HG THR 9 -7.233 -1.364 5.480 44 1HG2 THR 9 1HG2 THR 9 -8.821 -0.519 2.310 45 2HG2 THR 9 2HG2 THR 9 -8.898 -1.728 3.615 46 3HG2 THR 9 3HG2 THR 9 -9.781 -0.190 3.772 47 H CYS 10 H CYS 10 -4.708 -0.727 4.001 48 HA CYS 10 HA CYS 10 -4.298 -2.121 1.456 49 1HB CYS 10 1HB CYS 10 -2.190 -1.096 3.368 50 2HB CYS 10 2HB CYS 10 -1.871 -2.175 2.025 51 H ASN 11 H ASN 11 -3.866 -4.379 1.650 52 HA ASN 11 HA ASN 11 -4.632 -5.444 4.202 53 1HB ASN 11 1HB ASN 11 -5.445 -6.271 1.862 54 2HB ASN 11 2HB ASN 11 -3.866 -7.015 1.695 55 1HD2 ASN 11 1HD2 ASN 11 -6.147 -8.507 1.638 56 2HD2 ASN 11 2HD2 ASN 11 -6.267 -9.518 3.039 57 H THR 12 H THR 12 -1.880 -5.467 1.849 58 HA THR 12 HA THR 12 -0.243 -7.291 3.180 59 HB THR 12 HB THR 12 0.314 -4.912 1.336 60 HG1 THR 12 1HG THR 12 0.333 -7.828 1.027 61 1HG2 THR 12 1HG2 THR 12 2.515 -5.736 0.992 62 2HG2 THR 12 2HG2 THR 12 2.336 -5.876 2.757 63 3HG2 THR 12 3HG2 THR 12 2.136 -7.313 1.725 64 HA PRO 13 HA PRO 13 0.755 -5.380 6.727 65 1HB PRO 13 1HB PRO 13 3.033 -6.710 7.489 66 2HB PRO 13 2HB PRO 13 1.379 -7.397 7.627 67 1HG PRO 13 1HG PRO 13 3.494 -7.879 5.530 68 2HG PRO 13 2HG PRO 13 2.232 -8.990 6.159 69 1HD PRO 13 1HD PRO 13 2.077 -7.657 3.710 70 2HD PRO 13 2HD PRO 13 0.652 -8.249 4.630 71 H GLY 14 H GLY 14 1.531 -3.479 7.502 72 1HA GLY 14 1HA GLY 14 2.981 -1.761 7.736 73 2HA GLY 14 2HA GLY 14 4.229 -2.716 6.961 74 H CYS 15 H CYS 15 1.285 -2.601 5.131 75 HA CYS 15 HA CYS 15 2.586 -0.779 3.275 76 1HB CYS 15 1HB CYS 15 0.354 -2.785 2.969 77 2HB CYS 15 2HB CYS 15 0.718 -1.596 1.734 78 H THR 16 H THR 16 1.847 1.316 3.068 79 HA THR 16 HA THR 16 -0.563 2.021 4.561 80 HB THR 16 HB THR 16 0.369 4.305 4.392 81 HG1 THR 16 1HG THR 16 1.611 4.597 2.587 82 1HG2 THR 16 1HG2 THR 16 1.487 2.758 6.079 83 2HG2 THR 16 2HG2 THR 16 2.685 2.349 4.827 84 3HG2 THR 16 3HG2 THR 16 2.573 4.016 5.441 85 H CYS 17 H CYS 17 -2.168 3.484 3.631 86 HA CYS 17 HA CYS 17 -2.799 2.594 0.979 87 1HB CYS 17 1HB CYS 17 -4.550 2.673 2.639 88 2HB CYS 17 2HB CYS 17 -4.264 4.377 2.932 89 H SER 18 H SER 18 -1.265 3.589 -0.425 90 HA SER 18 HA SER 18 -1.306 6.493 -0.398 91 1HB SER 18 1HB SER 18 0.851 4.932 -0.561 92 2HB SER 18 2HB SER 18 0.427 4.865 -2.260 93 HG SER 18 HG SER 18 0.235 7.431 -1.711 94 H TRP 19 H TRP 19 -3.667 6.205 -1.179 95 HA TRP 19 HA TRP 19 -4.574 4.846 -3.259 96 1HB TRP 19 1HB TRP 19 -5.522 6.895 -1.759 97 2HB TRP 19 2HB TRP 19 -5.393 7.686 -3.318 98 HD1 TRP 19 HD TRP 19 -7.366 4.892 -1.559 99 HE1 TRP 19 1HE TRP 19 -9.483 4.178 -2.964 100 HE3 TRP 19 3HE TRP 19 -6.187 7.604 -5.696 101 HZ2 TRP 19 2HZ TRP 19 -10.405 4.813 -5.589 102 HZ3 TRP 19 3HZ TRP 19 -7.749 7.501 -7.636 103 HH2 TRP 19 HH TRP 19 -9.797 6.167 -7.627 104 HA PRO 20 HA PRO 20 -5.597 4.778 -4.849 105 1HB PRO 20 1HB PRO 20 -5.535 3.478 -7.251 106 2HB PRO 20 2HB PRO 20 -6.453 4.945 -6.980 107 1HG PRO 20 1HG PRO 20 -3.905 4.596 -8.438 108 2HG PRO 20 2HG PRO 20 -5.038 5.931 -8.511 109 1HD PRO 20 1HD PRO 20 -2.529 5.884 -7.123 110 2HD PRO 20 2HD PRO 20 -3.714 7.175 -7.102 111 H VAL 21 H VAL 21 -2.327 4.230 -5.283 112 HA VAL 21 HA VAL 21 -2.676 1.341 -5.006 113 HB VAL 21 HB VAL 21 -1.263 2.498 -6.820 114 1HG1 VAL 21 1HG1 VAL 21 1.084 2.444 -5.051 115 2HG1 VAL 21 2HG1 VAL 21 0.612 3.623 -6.299 116 3HG1 VAL 21 3HG1 VAL 21 -0.076 3.737 -4.661 117 1HG2 VAL 21 1HG2 VAL 21 -1.204 0.014 -5.746 118 2HG2 VAL 21 2HG2 VAL 21 -0.165 0.533 -7.095 119 3HG2 VAL 21 3HG2 VAL 21 0.471 0.528 -5.432 120 H CYS 22 H CYS 22 -0.619 0.411 -3.648 121 HA CYS 22 HA CYS 22 -0.884 1.751 -1.070 122 1HB CYS 22 1HB CYS 22 -0.230 -1.090 -1.841 123 2HB CYS 22 2HB CYS 22 0.055 -0.476 -0.225 124 H THR 23 H THR 23 1.260 1.324 0.346 125 HA THR 23 HA THR 23 3.667 1.461 -1.277 126 HB THR 23 HB THR 23 4.263 3.633 0.029 127 HG1 THR 23 1HG THR 23 2.227 3.123 1.395 128 1HG2 THR 23 1HG2 THR 23 1.953 3.637 -1.983 129 2HG2 THR 23 2HG2 THR 23 2.807 5.104 -1.449 130 3HG2 THR 23 3HG2 THR 23 3.681 3.845 -2.354 131 H ARG 24 H ARG 24 5.653 1.318 0.041 132 HA ARG 24 HA ARG 24 5.059 0.192 2.652 133 1HB ARG 24 1HB ARG 24 5.470 -1.778 1.379 134 2HB ARG 24 2HB ARG 24 6.696 -1.004 0.394 135 1HG ARG 24 1HG ARG 24 8.365 -1.460 1.893 136 2HG ARG 24 2HG ARG 24 7.384 -1.001 3.271 137 1HD ARG 24 1HD ARG 24 6.303 -3.172 3.348 138 2HD ARG 24 2HD ARG 24 6.936 -3.623 1.778 139 HE ARG 24 HE ARG 24 8.950 -4.237 2.796 140 1HH1 ARG 24 2HH2 ARG 24 7.158 -2.139 4.980 141 2HH1 ARG 24 1HH2 ARG 24 8.260 -2.357 6.298 142 1HH2 ARG 24 2HH1 ARG 24 10.404 -4.525 4.535 143 2HH2 ARG 24 1HH1 ARG 24 10.119 -3.723 6.043 144 H ASN 25 H ASN 25 6.177 1.341 4.196 145 HA ASN 25 HA ASN 25 7.671 2.579 5.162 146 1HB ASN 25 1HB ASN 25 9.467 1.159 3.150 147 2HB ASN 25 2HB ASN 25 10.139 2.341 4.255 148 1HD2 ASN 25 1HD2 ASN 25 10.387 -0.634 3.951 149 2HD2 ASN 25 2HD2 ASN 25 10.089 -1.299 5.522 150 H GLY 26 H GLY 26 6.210 3.493 2.618 151 1HA GLY 26 1HA GLY 26 6.057 5.567 1.668 152 2HA GLY 26 2HA GLY 26 7.649 5.981 2.271 153 H LEU 27 H LEU 27 7.239 2.895 0.599 154 HA LEU 27 HA LEU 27 8.124 4.056 -1.915 155 1HB LEU 27 1HB LEU 27 9.675 1.819 -0.620 156 2HB LEU 27 2HB LEU 27 10.048 2.670 -2.106 157 HG LEU 27 HG LEU 27 9.960 4.130 0.531 158 1HD1 LEU 27 1HD1 LEU 27 11.515 2.560 1.159 159 2HD1 LEU 27 2HD1 LEU 27 12.097 2.302 -0.503 160 3HD1 LEU 27 3HD1 LEU 27 12.557 3.777 0.382 161 1HD2 LEU 27 1HD2 LEU 27 10.205 5.047 -2.027 162 2HD2 LEU 27 2HD2 LEU 27 10.814 5.882 -0.578 163 3HD2 LEU 27 3HD2 LEU 27 11.910 4.869 -1.549 164 HA PRO 28 HA PRO 28 5.099 1.346 -3.031 165 1HB PRO 28 1HB PRO 28 5.230 1.544 -5.766 166 2HB PRO 28 2HB PRO 28 4.453 2.772 -4.710 167 1HG PRO 28 1HG PRO 28 7.186 2.785 -5.991 168 2HG PRO 28 2HG PRO 28 6.093 4.158 -5.607 169 1HD PRO 28 1HD PRO 28 8.333 3.457 -4.092 170 2HD PRO 28 2HD PRO 28 6.924 4.368 -3.451 171 H VAL 29 H VAL 29 5.973 -0.588 -2.110 172 HA VAL 29 HA VAL 29 6.826 -2.374 -4.262 173 HB VAL 29 HB VAL 29 8.536 -3.335 -2.807 174 1HG1 VAL 29 1HG1 VAL 29 9.638 -0.697 -2.650 175 2HG1 VAL 29 2HG1 VAL 29 9.954 -1.971 -3.853 176 3HG1 VAL 29 3HG1 VAL 29 8.635 -0.804 -4.117 177 1HG2 VAL 29 1HG2 VAL 29 8.176 -0.981 -0.940 178 2HG2 VAL 29 2HG2 VAL 29 7.384 -2.550 -0.661 179 3HG2 VAL 29 3HG2 VAL 29 9.160 -2.446 -0.708 Start of MODEL 15 1 H CYS 1 H CYS 1 4.336 -1.911 -3.152 2 HA CYS 1 HA CYS 1 4.206 -4.034 -1.160 3 1HB CYS 1 1HB CYS 1 2.366 -1.803 -1.956 4 2HB CYS 1 2HB CYS 1 1.716 -3.224 -1.163 5 H GLY 2 H GLY 2 2.315 -2.885 -4.061 6 1HA GLY 2 1HA GLY 2 2.099 -4.275 -5.992 7 2HA GLY 2 2HA GLY 2 2.177 -5.693 -4.965 8 H GLU 3 H GLU 3 0.411 -3.785 -3.022 9 HA GLU 3 HA GLU 3 -2.059 -4.773 -4.181 10 1HB GLU 3 1HB GLU 3 -1.080 -4.240 -1.402 11 2HB GLU 3 2HB GLU 3 -2.783 -3.942 -1.690 12 1HG GLU 3 1HG GLU 3 -2.873 -6.287 -2.777 13 2HG GLU 3 2HG GLU 3 -1.265 -6.548 -2.132 14 H THR 4 H THR 4 -4.063 -3.322 -3.786 15 HA THR 4 HA THR 4 -3.293 -0.498 -4.125 16 HB THR 4 HB THR 4 -5.165 -0.382 -5.790 17 HG1 THR 4 1HG THR 4 -5.103 -3.288 -5.427 18 1HG2 THR 4 1HG2 THR 4 -2.890 -2.330 -6.153 19 2HG2 THR 4 2HG2 THR 4 -4.204 -2.375 -7.352 20 3HG2 THR 4 3HG2 THR 4 -3.285 -0.872 -7.095 21 H CYS 5 H CYS 5 -4.355 1.001 -2.926 22 HA CYS 5 HA CYS 5 -6.292 -0.109 -1.050 23 1HB CYS 5 1HB CYS 5 -5.734 1.593 0.444 24 2HB CYS 5 2HB CYS 5 -4.208 1.057 -0.231 25 H VAL 6 H VAL 6 -7.330 0.139 -3.589 26 HA VAL 6 HA VAL 6 -8.277 2.655 -4.301 27 HB VAL 6 HB VAL 6 -9.189 -0.166 -4.827 28 1HG1 VAL 6 1HG1 VAL 6 -11.224 1.044 -4.998 29 2HG1 VAL 6 2HG1 VAL 6 -10.429 2.417 -5.805 30 3HG1 VAL 6 3HG1 VAL 6 -10.617 0.869 -6.663 31 1HG2 VAL 6 1HG2 VAL 6 -8.439 0.569 -7.185 32 2HG2 VAL 6 2HG2 VAL 6 -7.648 1.932 -6.357 33 3HG2 VAL 6 3HG2 VAL 6 -7.182 0.260 -5.963 34 H GLY 7 H GLY 7 -9.197 0.448 -1.734 35 1HA GLY 7 1HA GLY 7 -11.826 1.640 -1.385 36 2HA GLY 7 2HA GLY 7 -11.096 0.354 -0.445 37 H GLY 8 H GLY 8 -8.483 1.941 -0.168 38 1HA GLY 8 1HA GLY 8 -8.018 4.107 0.825 39 2HA GLY 8 2HA GLY 8 -9.462 3.921 1.800 40 H THR 9 H THR 9 -7.695 0.962 1.255 41 HA THR 9 HA THR 9 -6.014 1.288 3.589 42 HB THR 9 HB THR 9 -8.294 -0.759 3.504 43 HG1 THR 9 1HG THR 9 -9.170 0.708 5.080 44 1HG2 THR 9 1HG2 THR 9 -6.162 -0.040 5.579 45 2HG2 THR 9 2HG2 THR 9 -7.647 -0.935 5.983 46 3HG2 THR 9 3HG2 THR 9 -6.462 -1.639 4.856 47 H CYS 10 H CYS 10 -4.698 -0.759 3.977 48 HA CYS 10 HA CYS 10 -4.279 -2.077 1.393 49 1HB CYS 10 1HB CYS 10 -2.187 -1.089 3.340 50 2HB CYS 10 2HB CYS 10 -1.851 -2.164 1.998 51 H ASN 11 H ASN 11 -3.779 -4.341 1.532 52 HA ASN 11 HA ASN 11 -4.614 -5.488 4.026 53 1HB ASN 11 1HB ASN 11 -5.191 -6.216 1.502 54 2HB ASN 11 2HB ASN 11 -3.696 -7.121 1.640 55 1HD2 ASN 11 1HD2 ASN 11 -4.235 -9.155 1.903 56 2HD2 ASN 11 2HD2 ASN 11 -5.340 -9.799 3.071 57 H THR 12 H THR 12 -1.832 -5.641 1.682 58 HA THR 12 HA THR 12 -0.211 -7.389 3.073 59 HB THR 12 HB THR 12 0.381 -5.010 1.241 60 HG1 THR 12 1HG THR 12 -0.897 -7.070 0.660 61 1HG2 THR 12 1HG2 THR 12 2.596 -5.820 0.951 62 2HG2 THR 12 2HG2 THR 12 2.377 -5.948 2.713 63 3HG2 THR 12 3HG2 THR 12 2.213 -7.394 1.688 64 HA PRO 13 HA PRO 13 0.712 -5.490 6.646 65 1HB PRO 13 1HB PRO 13 2.974 -6.821 7.452 66 2HB PRO 13 2HB PRO 13 1.318 -7.510 7.552 67 1HG PRO 13 1HG PRO 13 3.478 -7.982 5.499 68 2HG PRO 13 2HG PRO 13 2.203 -9.096 6.097 69 1HD PRO 13 1HD PRO 13 2.100 -7.755 3.650 70 2HD PRO 13 2HD PRO 13 0.657 -8.351 4.537 71 H GLY 14 H GLY 14 1.416 -3.550 7.365 72 1HA GLY 14 1HA GLY 14 2.872 -1.840 7.658 73 2HA GLY 14 2HA GLY 14 4.143 -2.793 6.918 74 H CYS 15 H CYS 15 1.211 -2.654 5.046 75 HA CYS 15 HA CYS 15 2.572 -0.902 3.172 76 1HB CYS 15 1HB CYS 15 0.287 -2.846 2.923 77 2HB CYS 15 2HB CYS 15 0.602 -1.649 1.682 78 H THR 16 H THR 16 1.922 1.220 2.918 79 HA THR 16 HA THR 16 -0.416 2.073 4.443 80 HB THR 16 HB THR 16 0.635 4.367 3.843 81 HG1 THR 16 1HG THR 16 1.815 3.134 2.016 82 1HG2 THR 16 1HG2 THR 16 1.708 4.145 5.846 83 2HG2 THR 16 2HG2 THR 16 1.522 2.378 5.742 84 3HG2 THR 16 3HG2 THR 16 2.965 3.163 5.056 85 H CYS 17 H CYS 17 -2.031 3.498 3.531 86 HA CYS 17 HA CYS 17 -2.724 2.597 0.895 87 1HB CYS 17 1HB CYS 17 -4.482 2.642 2.490 88 2HB CYS 17 2HB CYS 17 -4.127 4.293 2.957 89 H SER 18 H SER 18 -1.218 3.592 -0.539 90 HA SER 18 HA SER 18 -1.266 6.496 -0.515 91 1HB SER 18 1HB SER 18 0.896 4.950 -0.705 92 2HB SER 18 2HB SER 18 0.444 4.864 -2.396 93 HG SER 18 HG SER 18 0.279 7.469 -1.591 94 H TRP 19 H TRP 19 -3.623 6.255 -1.266 95 HA TRP 19 HA TRP 19 -4.584 4.880 -3.316 96 1HB TRP 19 1HB TRP 19 -5.472 6.967 -1.824 97 2HB TRP 19 2HB TRP 19 -5.370 7.726 -3.400 98 HD1 TRP 19 HD TRP 19 -7.335 4.993 -1.542 99 HE1 TRP 19 1HE TRP 19 -9.491 4.276 -2.885 100 HE3 TRP 19 3HE TRP 19 -6.217 7.605 -5.759 101 HZ2 TRP 19 2HZ TRP 19 -10.464 4.868 -5.501 102 HZ3 TRP 19 3HZ TRP 19 -7.823 7.481 -7.661 103 HH2 TRP 19 HH TRP 19 -9.886 6.172 -7.580 104 HA PRO 20 HA PRO 20 -5.630 4.806 -4.887 105 1HB PRO 20 1HB PRO 20 -5.622 3.479 -7.277 106 2HB PRO 20 2HB PRO 20 -6.518 4.960 -7.006 107 1HG PRO 20 1HG PRO 20 -3.998 4.565 -8.501 108 2HG PRO 20 2HG PRO 20 -5.116 5.913 -8.571 109 1HD PRO 20 1HD PRO 20 -2.586 5.850 -7.222 110 2HD PRO 20 2HD PRO 20 -3.755 7.155 -7.196 111 H VAL 21 H VAL 21 -2.374 4.207 -5.386 112 HA VAL 21 HA VAL 21 -2.751 1.328 -5.083 113 HB VAL 21 HB VAL 21 -1.339 2.434 -6.908 114 1HG1 VAL 21 1HG1 VAL 21 0.542 2.787 -4.550 115 2HG1 VAL 21 2HG1 VAL 21 1.002 2.944 -6.263 116 3HG1 VAL 21 3HG1 VAL 21 -0.171 4.077 -5.549 117 1HG2 VAL 21 1HG2 VAL 21 0.423 0.525 -5.468 118 2HG2 VAL 21 2HG2 VAL 21 -1.244 -0.019 -5.771 119 3HG2 VAL 21 3HG2 VAL 21 -0.210 0.478 -7.131 120 H CYS 22 H CYS 22 -0.689 0.384 -3.732 121 HA CYS 22 HA CYS 22 -0.947 1.719 -1.151 122 1HB CYS 22 1HB CYS 22 -0.387 -1.120 -1.965 123 2HB CYS 22 2HB CYS 22 0.057 -0.546 -0.369 124 H THR 23 H THR 23 1.198 1.287 0.261 125 HA THR 23 HA THR 23 3.600 1.440 -1.374 126 HB THR 23 HB THR 23 4.194 3.584 -0.000 127 HG1 THR 23 1HG THR 23 2.216 4.632 0.760 128 1HG2 THR 23 1HG2 THR 23 2.733 5.079 -1.473 129 2HG2 THR 23 2HG2 THR 23 3.682 3.875 -2.377 130 3HG2 THR 23 3HG2 THR 23 1.948 3.601 -2.081 131 H ARG 24 H ARG 24 5.597 1.309 -0.048 132 HA ARG 24 HA ARG 24 4.994 0.033 2.496 133 1HB ARG 24 1HB ARG 24 5.570 -1.779 1.002 134 2HB ARG 24 2HB ARG 24 6.894 -0.877 0.291 135 1HG ARG 24 1HG ARG 24 7.956 -2.404 1.779 136 2HG ARG 24 2HG ARG 24 7.977 -0.878 2.640 137 1HD ARG 24 1HD ARG 24 6.244 -1.535 4.126 138 2HD ARG 24 2HD ARG 24 5.642 -2.771 3.039 139 HE ARG 24 HE ARG 24 8.143 -3.723 3.561 140 1HH1 ARG 24 2HH2 ARG 24 5.647 -2.479 5.707 141 2HH1 ARG 24 1HH2 ARG 24 6.136 -3.456 7.051 142 1HH2 ARG 24 2HH1 ARG 24 8.788 -5.013 5.334 143 2HH2 ARG 24 1HH1 ARG 24 7.935 -4.907 6.838 144 H ASN 25 H ASN 25 5.923 1.238 4.121 145 HA ASN 25 HA ASN 25 7.280 2.529 5.210 146 1HB ASN 25 1HB ASN 25 8.929 0.658 4.634 147 2HB ASN 25 2HB ASN 25 9.472 1.618 3.272 148 1HD2 ASN 25 1HD2 ASN 25 11.519 1.946 3.959 149 2HD2 ASN 25 2HD2 ASN 25 11.962 2.907 5.330 150 H GLY 26 H GLY 26 5.932 3.466 2.642 151 1HA GLY 26 1HA GLY 26 5.759 5.543 1.713 152 2HA GLY 26 2HA GLY 26 7.295 6.005 2.418 153 H LEU 27 H LEU 27 7.130 2.942 0.672 154 HA LEU 27 HA LEU 27 8.135 4.206 -1.753 155 1HB LEU 27 1HB LEU 27 9.623 2.070 -0.219 156 2HB LEU 27 2HB LEU 27 10.016 2.607 -1.840 157 HG LEU 27 HG LEU 27 10.005 4.453 0.559 158 1HD1 LEU 27 1HD1 LEU 27 12.534 3.378 -0.643 159 2HD1 LEU 27 2HD1 LEU 27 12.235 4.053 0.977 160 3HD1 LEU 27 3HD1 LEU 27 11.653 2.420 0.571 161 1HD2 LEU 27 1HD2 LEU 27 10.894 6.082 -0.784 162 2HD2 LEU 27 2HD2 LEU 27 11.590 4.917 -1.936 163 3HD2 LEU 27 3HD2 LEU 27 9.840 5.244 -1.949 164 HA PRO 28 HA PRO 28 5.254 1.514 -3.210 165 1HB PRO 28 1HB PRO 28 5.648 1.746 -5.917 166 2HB PRO 28 2HB PRO 28 4.778 2.964 -4.924 167 1HG PRO 28 1HG PRO 28 7.621 2.980 -5.935 168 2HG PRO 28 2HG PRO 28 6.503 4.353 -5.640 169 1HD PRO 28 1HD PRO 28 8.583 3.621 -3.926 170 2HD PRO 28 2HD PRO 28 7.122 4.531 -3.411 171 H VAL 29 H VAL 29 6.005 -0.444 -2.245 172 HA VAL 29 HA VAL 29 6.891 -2.263 -4.322 173 HB VAL 29 HB VAL 29 8.732 -3.120 -3.018 174 1HG1 VAL 29 1HG1 VAL 29 10.293 -1.215 -3.203 175 2HG1 VAL 29 2HG1 VAL 29 9.225 -1.344 -4.621 176 3HG1 VAL 29 3HG1 VAL 29 8.910 -0.109 -3.379 177 1HG2 VAL 29 1HG2 VAL 29 9.416 -2.336 -0.921 178 2HG2 VAL 29 2HG2 VAL 29 8.476 -0.831 -1.067 179 3HG2 VAL 29 3HG2 VAL 29 7.641 -2.378 -0.789 Start of MODEL 16 1 H CYS 1 H CYS 1 4.258 -2.071 -2.892 2 HA CYS 1 HA CYS 1 3.827 -4.450 -1.265 3 1HB CYS 1 1HB CYS 1 1.971 -2.155 -1.931 4 2HB CYS 1 2HB CYS 1 1.547 -3.539 -0.943 5 H GLY 2 H GLY 2 2.934 -2.788 -4.344 6 1HA GLY 2 1HA GLY 2 2.446 -3.756 -6.353 7 2HA GLY 2 2HA GLY 2 2.442 -5.342 -5.607 8 H GLU 3 H GLU 3 0.592 -3.745 -3.454 9 HA GLU 3 HA GLU 3 -1.818 -4.465 -4.901 10 1HB GLU 3 1HB GLU 3 -2.836 -4.886 -2.812 11 2HB GLU 3 2HB GLU 3 -1.191 -5.443 -2.581 12 1HG GLU 3 1HG GLU 3 -0.614 -3.200 -1.565 13 2HG GLU 3 2HG GLU 3 -2.294 -2.726 -1.722 14 H THR 4 H THR 4 -3.834 -3.053 -4.252 15 HA THR 4 HA THR 4 -3.006 -0.234 -4.074 16 HB THR 4 HB THR 4 -4.618 0.274 -5.862 17 HG1 THR 4 1HG THR 4 -4.978 -2.639 -5.823 18 1HG2 THR 4 1HG2 THR 4 -3.548 -2.161 -7.166 19 2HG2 THR 4 2HG2 THR 4 -3.293 -0.452 -7.593 20 3HG2 THR 4 3HG2 THR 4 -2.289 -1.214 -6.336 21 H CYS 5 H CYS 5 -4.352 1.155 -2.925 22 HA CYS 5 HA CYS 5 -6.292 -0.285 -1.282 23 1HB CYS 5 1HB CYS 5 -6.008 1.406 0.373 24 2HB CYS 5 2HB CYS 5 -4.428 0.821 -0.109 25 H VAL 6 H VAL 6 -7.401 0.024 -3.666 26 HA VAL 6 HA VAL 6 -8.366 2.539 -4.363 27 HB VAL 6 HB VAL 6 -9.158 -0.299 -4.913 28 1HG1 VAL 6 1HG1 VAL 6 -10.801 2.148 -5.405 29 2HG1 VAL 6 2HG1 VAL 6 -10.717 0.929 -6.699 30 3HG1 VAL 6 3HG1 VAL 6 -11.307 0.472 -5.083 31 1HG2 VAL 6 1HG2 VAL 6 -7.890 1.972 -6.432 32 2HG2 VAL 6 2HG2 VAL 6 -7.323 0.299 -6.210 33 3HG2 VAL 6 3HG2 VAL 6 -8.687 0.639 -7.301 34 H GLY 7 H GLY 7 -9.259 0.297 -1.808 35 1HA GLY 7 1HA GLY 7 -11.887 1.456 -1.415 36 2HA GLY 7 2HA GLY 7 -11.112 0.203 -0.467 37 H GLY 8 H GLY 8 -8.544 1.769 -0.167 38 1HA GLY 8 1HA GLY 8 -8.093 3.963 0.769 39 2HA GLY 8 2HA GLY 8 -9.538 3.796 1.746 40 H THR 9 H THR 9 -7.717 0.849 1.265 41 HA THR 9 HA THR 9 -6.067 1.245 3.611 42 HB THR 9 HB THR 9 -8.251 -0.901 3.557 43 HG1 THR 9 1HG THR 9 -7.914 1.609 5.044 44 1HG2 THR 9 1HG2 THR 9 -7.642 -0.571 6.154 45 2HG2 THR 9 2HG2 THR 9 -6.699 -1.689 5.140 46 3HG2 THR 9 3HG2 THR 9 -6.075 -0.058 5.483 47 H CYS 10 H CYS 10 -4.668 -0.709 4.026 48 HA CYS 10 HA CYS 10 -4.178 -2.034 1.458 49 1HB CYS 10 1HB CYS 10 -2.178 -1.120 3.534 50 2HB CYS 10 2HB CYS 10 -1.786 -2.137 2.162 51 H ASN 11 H ASN 11 -3.746 -4.303 1.558 52 HA ASN 11 HA ASN 11 -4.653 -5.495 4.008 53 1HB ASN 11 1HB ASN 11 -4.264 -6.377 1.153 54 2HB ASN 11 2HB ASN 11 -4.137 -7.626 2.375 55 1HD2 ASN 11 1HD2 ASN 11 -5.893 -8.253 3.554 56 2HD2 ASN 11 2HD2 ASN 11 -7.521 -7.777 3.203 57 H THR 12 H THR 12 -1.782 -5.342 1.822 58 HA THR 12 HA THR 12 -0.232 -7.265 3.178 59 HB THR 12 HB THR 12 0.401 -4.916 1.322 60 HG1 THR 12 1HG THR 12 -0.854 -6.810 0.560 61 1HG2 THR 12 1HG2 THR 12 2.614 -5.739 1.070 62 2HG2 THR 12 2HG2 THR 12 2.375 -5.851 2.830 63 3HG2 THR 12 3HG2 THR 12 2.214 -7.305 1.815 64 HA PRO 13 HA PRO 13 0.689 -5.344 6.739 65 1HB PRO 13 1HB PRO 13 2.926 -6.698 7.576 66 2HB PRO 13 2HB PRO 13 1.260 -7.363 7.670 67 1HG PRO 13 1HG PRO 13 3.429 -7.886 5.639 68 2HG PRO 13 2HG PRO 13 2.134 -8.976 6.239 69 1HD PRO 13 1HD PRO 13 2.069 -7.658 3.777 70 2HD PRO 13 2HD PRO 13 0.610 -8.225 4.658 71 H GLY 14 H GLY 14 1.437 -3.424 7.480 72 1HA GLY 14 1HA GLY 14 2.936 -1.749 7.779 73 2HA GLY 14 2HA GLY 14 4.174 -2.708 6.993 74 H CYS 15 H CYS 15 1.292 -2.610 5.107 75 HA CYS 15 HA CYS 15 2.599 -0.768 3.288 76 1HB CYS 15 1HB CYS 15 0.322 -2.722 2.978 77 2HB CYS 15 2HB CYS 15 0.704 -1.533 1.750 78 H THR 16 H THR 16 1.891 1.339 3.059 79 HA THR 16 HA THR 16 -0.482 2.101 4.584 80 HB THR 16 HB THR 16 0.530 4.434 4.059 81 HG1 THR 16 1HG THR 16 1.784 3.458 2.222 82 1HG2 THR 16 1HG2 THR 16 2.651 3.974 5.497 83 2HG2 THR 16 2HG2 THR 16 1.083 3.594 6.249 84 3HG2 THR 16 3HG2 THR 16 2.086 2.288 5.573 85 H CYS 17 H CYS 17 -2.143 3.453 3.693 86 HA CYS 17 HA CYS 17 -2.781 2.619 1.035 87 1HB CYS 17 1HB CYS 17 -4.511 2.681 2.720 88 2HB CYS 17 2HB CYS 17 -4.230 4.386 3.014 89 H SER 18 H SER 18 -1.364 3.626 -0.447 90 HA SER 18 HA SER 18 -1.383 6.534 -0.363 91 1HB SER 18 1HB SER 18 0.847 5.421 -0.450 92 2HB SER 18 2HB SER 18 0.397 4.625 -1.945 93 HG SER 18 HG SER 18 -0.092 7.145 -2.481 94 H TRP 19 H TRP 19 -3.764 6.181 -1.108 95 HA TRP 19 HA TRP 19 -4.659 4.856 -3.215 96 1HB TRP 19 1HB TRP 19 -5.681 6.776 -1.645 97 2HB TRP 19 2HB TRP 19 -5.522 7.697 -3.127 98 HD1 TRP 19 HD TRP 19 -7.534 4.786 -1.642 99 HE1 TRP 19 1HE TRP 19 -9.594 4.158 -3.166 100 HE3 TRP 19 3HE TRP 19 -6.214 7.754 -5.554 101 HZ2 TRP 19 2HZ TRP 19 -10.422 4.955 -5.778 102 HZ3 TRP 19 3HZ TRP 19 -7.703 7.771 -7.553 103 HH2 TRP 19 HH TRP 19 -9.745 6.435 -7.704 104 HA PRO 20 HA PRO 20 -5.696 4.798 -4.793 105 1HB PRO 20 1HB PRO 20 -5.624 3.560 -7.229 106 2HB PRO 20 2HB PRO 20 -6.580 4.994 -6.911 107 1HG PRO 20 1HG PRO 20 -4.040 4.754 -8.403 108 2HG PRO 20 2HG PRO 20 -5.210 6.058 -8.431 109 1HD PRO 20 1HD PRO 20 -2.685 6.048 -7.071 110 2HD PRO 20 2HD PRO 20 -3.907 7.303 -7.005 111 H VAL 21 H VAL 21 -2.417 4.353 -5.282 112 HA VAL 21 HA VAL 21 -2.676 1.450 -5.085 113 HB VAL 21 HB VAL 21 -0.164 3.048 -5.549 114 1HG1 VAL 21 1HG1 VAL 21 0.154 0.801 -6.974 115 2HG1 VAL 21 2HG1 VAL 21 0.558 0.903 -5.244 116 3HG1 VAL 21 3HG1 VAL 21 -0.989 0.187 -5.755 117 1HG2 VAL 21 1HG2 VAL 21 -2.408 2.460 -7.444 118 2HG2 VAL 21 2HG2 VAL 21 -1.339 3.879 -7.340 119 3HG2 VAL 21 3HG2 VAL 21 -0.736 2.361 -8.047 120 H CYS 22 H CYS 22 -0.681 0.490 -3.721 121 HA CYS 22 HA CYS 22 -0.939 1.786 -1.120 122 1HB CYS 22 1HB CYS 22 -0.586 -1.034 -2.021 123 2HB CYS 22 2HB CYS 22 0.132 -0.574 -0.489 124 H THR 23 H THR 23 1.168 1.394 0.303 125 HA THR 23 HA THR 23 3.604 1.435 -1.277 126 HB THR 23 HB THR 23 4.175 3.649 0.050 127 HG1 THR 23 1HG THR 23 2.263 4.706 0.744 128 1HG2 THR 23 1HG2 THR 23 2.994 5.075 -1.664 129 2HG2 THR 23 2HG2 THR 23 3.861 3.711 -2.409 130 3HG2 THR 23 3HG2 THR 23 2.095 3.636 -2.200 131 H ARG 24 H ARG 24 5.572 1.441 0.151 132 HA ARG 24 HA ARG 24 4.927 0.450 2.792 133 1HB ARG 24 1HB ARG 24 5.195 -1.634 1.670 134 2HB ARG 24 2HB ARG 24 6.459 -1.021 0.623 135 1HG ARG 24 1HG ARG 24 8.112 -1.143 2.313 136 2HG ARG 24 2HG ARG 24 6.937 -1.093 3.612 137 1HD ARG 24 1HD ARG 24 6.885 -3.361 3.684 138 2HD ARG 24 2HD ARG 24 6.353 -3.422 2.015 139 HE ARG 24 HE ARG 24 9.109 -2.907 1.881 140 1HH1 ARG 24 2HH2 ARG 24 7.059 -5.440 3.209 141 2HH1 ARG 24 1HH2 ARG 24 8.249 -6.684 3.010 142 1HH2 ARG 24 2HH1 ARG 24 10.678 -4.547 1.618 143 2HH2 ARG 24 1HH1 ARG 24 10.321 -6.172 2.099 144 H ASN 25 H ASN 25 6.156 1.604 4.247 145 HA ASN 25 HA ASN 25 7.743 2.802 5.108 146 1HB ASN 25 1HB ASN 25 9.127 0.724 4.523 147 2HB ASN 25 2HB ASN 25 9.636 1.538 3.057 148 1HD2 ASN 25 1HD2 ASN 25 9.949 1.283 6.474 149 2HD2 ASN 25 2HD2 ASN 25 11.243 2.410 6.713 150 H GLY 26 H GLY 26 6.279 3.632 2.523 151 1HA GLY 26 1HA GLY 26 6.213 5.657 1.461 152 2HA GLY 26 2HA GLY 26 7.835 6.023 2.014 153 H LEU 27 H LEU 27 7.229 2.872 0.529 154 HA LEU 27 HA LEU 27 8.084 3.825 -2.073 155 1HB LEU 27 1HB LEU 27 9.658 1.692 -0.635 156 2HB LEU 27 2HB LEU 27 9.977 2.372 -2.218 157 HG LEU 27 HG LEU 27 10.039 4.068 0.281 158 1HD1 LEU 27 1HD1 LEU 27 11.731 1.899 -0.160 159 2HD1 LEU 27 2HD1 LEU 27 12.665 3.313 -0.705 160 3HD1 LEU 27 3HD1 LEU 27 12.003 3.266 0.946 161 1HD2 LEU 27 1HD2 LEU 27 10.051 4.814 -2.329 162 2HD2 LEU 27 2HD2 LEU 27 10.816 5.735 -1.012 163 3HD2 LEU 27 3HD2 LEU 27 11.796 4.645 -2.021 164 HA PRO 28 HA PRO 28 4.981 1.075 -2.848 165 1HB PRO 28 1HB PRO 28 4.956 1.122 -5.593 166 2HB PRO 28 2HB PRO 28 4.238 2.407 -4.564 167 1HG PRO 28 1HG PRO 28 6.894 2.347 -5.996 168 2HG PRO 28 2HG PRO 28 5.822 3.740 -5.627 169 1HD PRO 28 1HD PRO 28 8.145 3.121 -4.205 170 2HD PRO 28 2HD PRO 28 6.772 4.068 -3.536 171 H VAL 29 H VAL 29 6.157 -0.725 -1.833 172 HA VAL 29 HA VAL 29 6.970 -2.601 -3.945 173 HB VAL 29 HB VAL 29 8.504 -3.572 -2.283 174 1HG1 VAL 29 1HG1 VAL 29 10.124 -1.594 -2.229 175 2HG1 VAL 29 2HG1 VAL 29 9.517 -2.095 -3.826 176 3HG1 VAL 29 3HG1 VAL 29 8.837 -0.658 -3.026 177 1HG2 VAL 29 1HG2 VAL 29 8.932 -2.626 -0.171 178 2HG2 VAL 29 2HG2 VAL 29 8.059 -1.126 -0.565 179 3HG2 VAL 29 3HG2 VAL 29 7.157 -2.637 -0.301 Start of MODEL 17 1 H CYS 1 H CYS 1 4.163 -2.021 -2.998 2 HA CYS 1 HA CYS 1 3.903 -4.390 -1.321 3 1HB CYS 1 1HB CYS 1 1.980 -2.138 -1.929 4 2HB CYS 1 2HB CYS 1 1.554 -3.564 -1.003 5 H GLY 2 H GLY 2 2.948 -2.862 -4.433 6 1HA GLY 2 1HA GLY 2 2.473 -3.933 -6.397 7 2HA GLY 2 2HA GLY 2 2.415 -5.474 -5.565 8 H GLU 3 H GLU 3 0.591 -3.826 -3.485 9 HA GLU 3 HA GLU 3 -1.825 -4.460 -4.964 10 1HB GLU 3 1HB GLU 3 -2.914 -4.697 -2.819 11 2HB GLU 3 2HB GLU 3 -1.392 -5.561 -2.735 12 1HG GLU 3 1HG GLU 3 -0.355 -3.485 -1.677 13 2HG GLU 3 2HG GLU 3 -1.954 -2.770 -1.630 14 H THR 4 H THR 4 -3.808 -2.986 -4.186 15 HA THR 4 HA THR 4 -2.886 -0.198 -4.042 16 HB THR 4 HB THR 4 -4.703 0.303 -5.746 17 HG1 THR 4 1HG THR 4 -6.033 -1.499 -5.760 18 1HG2 THR 4 1HG2 THR 4 -2.782 0.171 -7.044 19 2HG2 THR 4 2HG2 THR 4 -2.288 -1.380 -6.325 20 3HG2 THR 4 3HG2 THR 4 -3.530 -1.345 -7.599 21 H CYS 5 H CYS 5 -4.155 1.218 -2.850 22 HA CYS 5 HA CYS 5 -6.037 -0.164 -1.120 23 1HB CYS 5 1HB CYS 5 -5.747 1.582 0.431 24 2HB CYS 5 2HB CYS 5 -4.151 1.164 -0.161 25 H VAL 6 H VAL 6 -7.143 -0.014 -3.580 26 HA VAL 6 HA VAL 6 -8.313 2.398 -4.317 27 HB VAL 6 HB VAL 6 -8.868 -0.505 -4.814 28 1HG1 VAL 6 1HG1 VAL 6 -10.661 1.817 -5.513 29 2HG1 VAL 6 2HG1 VAL 6 -10.574 0.381 -6.561 30 3HG1 VAL 6 3HG1 VAL 6 -11.089 0.216 -4.865 31 1HG2 VAL 6 1HG2 VAL 6 -7.122 0.175 -6.163 32 2HG2 VAL 6 2HG2 VAL 6 -8.513 0.487 -7.229 33 3HG2 VAL 6 3HG2 VAL 6 -7.754 1.830 -6.340 34 H GLY 7 H GLY 7 -9.026 0.135 -1.723 35 1HA GLY 7 1HA GLY 7 -11.741 1.069 -1.349 36 2HA GLY 7 2HA GLY 7 -10.851 -0.075 -0.363 37 H GLY 8 H GLY 8 -8.428 1.678 -0.060 38 1HA GLY 8 1HA GLY 8 -8.305 4.026 0.767 39 2HA GLY 8 2HA GLY 8 -9.610 3.598 1.856 40 H THR 9 H THR 9 -8.165 0.720 1.804 41 HA THR 9 HA THR 9 -6.006 1.438 3.664 42 HB THR 9 HB THR 9 -6.973 -0.713 4.924 43 HG1 THR 9 1HG THR 9 -9.267 0.537 3.593 44 1HG2 THR 9 1HG2 THR 9 -8.477 0.707 6.278 45 2HG2 THR 9 2HG2 THR 9 -7.004 1.628 5.889 46 3HG2 THR 9 3HG2 THR 9 -8.510 1.937 4.992 47 H CYS 10 H CYS 10 -4.488 -0.411 4.067 48 HA CYS 10 HA CYS 10 -4.195 -1.860 1.544 49 1HB CYS 10 1HB CYS 10 -2.155 -0.992 3.595 50 2HB CYS 10 2HB CYS 10 -1.795 -2.109 2.293 51 H ASN 11 H ASN 11 -3.895 -4.147 1.609 52 HA ASN 11 HA ASN 11 -4.829 -5.325 4.052 53 1HB ASN 11 1HB ASN 11 -5.739 -6.059 1.833 54 2HB ASN 11 2HB ASN 11 -4.137 -6.564 1.336 55 1HD2 ASN 11 1HD2 ASN 11 -6.114 -8.355 1.233 56 2HD2 ASN 11 2HD2 ASN 11 -5.966 -9.567 2.462 57 H THR 12 H THR 12 -1.942 -5.191 1.906 58 HA THR 12 HA THR 12 -0.480 -7.223 3.236 59 HB THR 12 HB THR 12 0.237 -4.916 1.359 60 HG1 THR 12 1HG THR 12 0.277 -6.800 -0.079 61 1HG2 THR 12 1HG2 THR 12 2.420 -5.807 1.115 62 2HG2 THR 12 2HG2 THR 12 2.178 -5.918 2.875 63 3HG2 THR 12 3HG2 THR 12 1.967 -7.362 1.855 64 HA PRO 13 HA PRO 13 0.551 -5.329 6.781 65 1HB PRO 13 1HB PRO 13 2.739 -6.767 7.605 66 2HB PRO 13 2HB PRO 13 1.049 -7.366 7.714 67 1HG PRO 13 1HG PRO 13 3.179 -7.980 5.668 68 2HG PRO 13 2HG PRO 13 1.847 -9.016 6.281 69 1HD PRO 13 1HD PRO 13 1.814 -7.705 3.815 70 2HD PRO 13 2HD PRO 13 0.341 -8.211 4.711 71 H GLY 14 H GLY 14 1.352 -3.415 7.465 72 1HA GLY 14 1HA GLY 14 2.905 -1.788 7.742 73 2HA GLY 14 2HA GLY 14 4.119 -2.812 7.001 74 H CYS 15 H CYS 15 1.198 -2.556 5.135 75 HA CYS 15 HA CYS 15 2.627 -0.862 3.255 76 1HB CYS 15 1HB CYS 15 0.277 -2.729 2.999 77 2HB CYS 15 2HB CYS 15 0.655 -1.557 1.752 78 H THR 16 H THR 16 1.992 1.259 2.894 79 HA THR 16 HA THR 16 -0.289 2.210 4.453 80 HB THR 16 HB THR 16 0.790 4.456 3.851 81 HG1 THR 16 1HG THR 16 3.062 3.984 2.975 82 1HG2 THR 16 1HG2 THR 16 2.817 2.469 4.988 83 2HG2 THR 16 2HG2 THR 16 2.718 4.216 5.311 84 3HG2 THR 16 3HG2 THR 16 1.469 3.120 5.950 85 H CYS 17 H CYS 17 -1.981 3.470 3.571 86 HA CYS 17 HA CYS 17 -2.664 2.599 0.932 87 1HB CYS 17 1HB CYS 17 -4.425 2.579 2.497 88 2HB CYS 17 2HB CYS 17 -4.077 4.205 3.051 89 H SER 18 H SER 18 -1.208 3.640 -0.519 90 HA SER 18 HA SER 18 -1.318 6.541 -0.472 91 1HB SER 18 1HB SER 18 0.656 6.545 -1.790 92 2HB SER 18 2HB SER 18 0.905 5.246 -0.639 93 HG SER 18 HG SER 18 1.202 4.988 -3.188 94 H TRP 19 H TRP 19 -3.702 6.184 -1.167 95 HA TRP 19 HA TRP 19 -4.633 4.819 -3.238 96 1HB TRP 19 1HB TRP 19 -5.583 6.839 -1.673 97 2HB TRP 19 2HB TRP 19 -5.579 7.610 -3.247 98 HD1 TRP 19 HD TRP 19 -7.298 4.729 -1.357 99 HE1 TRP 19 1HE TRP 19 -9.460 3.906 -2.626 100 HE3 TRP 19 3HE TRP 19 -6.525 7.492 -5.556 101 HZ2 TRP 19 2HZ TRP 19 -10.580 4.489 -5.185 102 HZ3 TRP 19 3HZ TRP 19 -8.201 7.307 -7.392 103 HH2 TRP 19 HH TRP 19 -10.173 5.870 -7.256 104 HA PRO 20 HA PRO 20 -5.712 4.741 -4.791 105 1HB PRO 20 1HB PRO 20 -5.689 3.485 -7.218 106 2HB PRO 20 2HB PRO 20 -6.649 4.913 -6.887 107 1HG PRO 20 1HG PRO 20 -4.145 4.683 -8.440 108 2HG PRO 20 2HG PRO 20 -5.327 5.976 -8.449 109 1HD PRO 20 1HD PRO 20 -2.769 5.998 -7.152 110 2HD PRO 20 2HD PRO 20 -3.999 7.244 -7.065 111 H VAL 21 H VAL 21 -2.442 4.324 -5.343 112 HA VAL 21 HA VAL 21 -2.659 1.421 -5.151 113 HB VAL 21 HB VAL 21 -1.280 2.744 -6.891 114 1HG1 VAL 21 1HG1 VAL 21 -0.205 4.197 -5.115 115 2HG1 VAL 21 2HG1 VAL 21 0.749 2.771 -4.640 116 3HG1 VAL 21 3HG1 VAL 21 0.914 3.446 -6.279 117 1HG2 VAL 21 1HG2 VAL 21 -0.426 0.724 -7.294 118 2HG2 VAL 21 2HG2 VAL 21 0.648 0.848 -5.879 119 3HG2 VAL 21 3HG2 VAL 21 -1.000 0.203 -5.691 120 H CYS 22 H CYS 22 -0.695 0.454 -3.777 121 HA CYS 22 HA CYS 22 -0.955 1.741 -1.172 122 1HB CYS 22 1HB CYS 22 -0.654 -1.069 -2.093 123 2HB CYS 22 2HB CYS 22 0.133 -0.643 -0.586 124 H THR 23 H THR 23 1.139 1.366 0.257 125 HA THR 23 HA THR 23 3.572 1.472 -1.351 126 HB THR 23 HB THR 23 4.119 3.572 0.200 127 HG1 THR 23 1HG THR 23 2.254 4.359 1.128 128 1HG2 THR 23 1HG2 THR 23 4.035 4.082 -2.125 129 2HG2 THR 23 2HG2 THR 23 2.352 3.520 -2.276 130 3HG2 THR 23 3HG2 THR 23 2.706 5.063 -1.462 131 H ARG 24 H ARG 24 5.556 1.547 0.162 132 HA ARG 24 HA ARG 24 4.943 0.261 2.670 133 1HB ARG 24 1HB ARG 24 5.284 -1.714 1.391 134 2HB ARG 24 2HB ARG 24 6.511 -0.971 0.384 135 1HG ARG 24 1HG ARG 24 8.202 -1.424 1.872 136 2HG ARG 24 2HG ARG 24 7.218 -1.034 3.269 137 1HD ARG 24 1HD ARG 24 6.239 -3.209 3.350 138 2HD ARG 24 2HD ARG 24 6.665 -3.568 1.689 139 HE ARG 24 HE ARG 24 8.998 -3.083 3.394 140 1HH1 ARG 24 2HH2 ARG 24 6.707 -5.505 2.267 141 2HH1 ARG 24 1HH2 ARG 24 7.767 -6.838 2.581 142 1HH2 ARG 24 2HH1 ARG 24 10.396 -4.842 3.809 143 2HH2 ARG 24 1HH1 ARG 24 9.879 -6.458 3.464 144 H ASN 25 H ASN 25 6.099 1.384 4.205 145 HA ASN 25 HA ASN 25 7.644 2.557 5.171 146 1HB ASN 25 1HB ASN 25 9.350 1.060 3.145 147 2HB ASN 25 2HB ASN 25 10.096 2.265 4.176 148 1HD2 ASN 25 1HD2 ASN 25 10.231 -0.735 3.972 149 2HD2 ASN 25 2HD2 ASN 25 9.985 -1.328 5.581 150 H GLY 26 H GLY 26 6.195 3.515 2.620 151 1HA GLY 26 1HA GLY 26 6.090 5.622 1.721 152 2HA GLY 26 2HA GLY 26 7.715 5.965 2.281 153 H LEU 27 H LEU 27 7.204 2.899 0.630 154 HA LEU 27 HA LEU 27 7.974 4.030 -1.930 155 1HB LEU 27 1HB LEU 27 9.629 1.857 -0.657 156 2HB LEU 27 2HB LEU 27 9.911 2.666 -2.185 157 HG LEU 27 HG LEU 27 9.932 4.193 0.417 158 1HD1 LEU 27 1HD1 LEU 27 11.730 3.079 1.096 159 2HD1 LEU 27 2HD1 LEU 27 11.822 2.164 -0.428 160 3HD1 LEU 27 3HD1 LEU 27 12.597 3.761 -0.300 161 1HD2 LEU 27 1HD2 LEU 27 10.621 5.948 -0.786 162 2HD2 LEU 27 2HD2 LEU 27 11.738 4.966 -1.764 163 3HD2 LEU 27 3HD2 LEU 27 10.012 5.041 -2.192 164 HA PRO 28 HA PRO 28 4.948 1.238 -2.839 165 1HB PRO 28 1HB PRO 28 4.908 1.423 -5.578 166 2HB PRO 28 2HB PRO 28 4.162 2.635 -4.482 167 1HG PRO 28 1HG PRO 28 6.811 2.718 -5.925 168 2HG PRO 28 2HG PRO 28 5.705 4.062 -5.482 169 1HD PRO 28 1HD PRO 28 8.051 3.433 -4.102 170 2HD PRO 28 2HD PRO 28 6.658 4.308 -3.381 171 H VAL 29 H VAL 29 5.960 -0.655 -1.958 172 HA VAL 29 HA VAL 29 6.807 -2.401 -4.157 173 HB VAL 29 HB VAL 29 8.483 -3.379 -2.640 174 1HG1 VAL 29 1HG1 VAL 29 9.755 -2.034 -3.905 175 2HG1 VAL 29 2HG1 VAL 29 8.582 -0.698 -3.815 176 3HG1 VAL 29 3HG1 VAL 29 9.771 -0.927 -2.510 177 1HG2 VAL 29 1HG2 VAL 29 9.075 -2.434 -0.554 178 2HG2 VAL 29 2HG2 VAL 29 8.085 -0.982 -0.836 179 3HG2 VAL 29 3HG2 VAL 29 7.299 -2.550 -0.532 Start of MODEL 18 1 H CYS 1 H CYS 1 4.372 -1.888 -2.985 2 HA CYS 1 HA CYS 1 4.022 -4.245 -1.308 3 1HB CYS 1 1HB CYS 1 2.262 -1.860 -1.874 4 2HB CYS 1 2HB CYS 1 1.672 -3.295 -1.060 5 H GLY 2 H GLY 2 2.426 -2.539 -4.110 6 1HA GLY 2 1HA GLY 2 2.038 -3.579 -6.181 7 2HA GLY 2 2HA GLY 2 2.071 -5.152 -5.410 8 H GLU 3 H GLU 3 0.384 -4.049 -3.078 9 HA GLU 3 HA GLU 3 -2.102 -4.679 -4.301 10 1HB GLU 3 1HB GLU 3 -1.774 -5.588 -2.126 11 2HB GLU 3 2HB GLU 3 -1.204 -4.066 -1.471 12 1HG GLU 3 1HG GLU 3 -3.380 -3.127 -1.387 13 2HG GLU 3 2HG GLU 3 -4.015 -4.234 -2.588 14 H THR 4 H THR 4 -4.035 -3.314 -4.281 15 HA THR 4 HA THR 4 -3.339 -0.452 -4.296 16 HB THR 4 HB THR 4 -5.183 -0.293 -5.988 17 HG1 THR 4 1HG THR 4 -6.422 -2.122 -5.238 18 1HG2 THR 4 1HG2 THR 4 -4.135 -2.277 -7.568 19 2HG2 THR 4 2HG2 THR 4 -3.344 -0.698 -7.344 20 3HG2 THR 4 3HG2 THR 4 -2.822 -2.099 -6.379 21 H CYS 5 H CYS 5 -4.355 0.930 -2.957 22 HA CYS 5 HA CYS 5 -6.352 -0.275 -1.215 23 1HB CYS 5 1HB CYS 5 -5.847 1.383 0.372 24 2HB CYS 5 2HB CYS 5 -4.313 0.810 -0.252 25 H VAL 6 H VAL 6 -7.428 0.068 -3.682 26 HA VAL 6 HA VAL 6 -8.324 2.619 -4.335 27 HB VAL 6 HB VAL 6 -9.227 -0.183 -4.923 28 1HG1 VAL 6 1HG1 VAL 6 -10.555 2.342 -5.970 29 2HG1 VAL 6 2HG1 VAL 6 -10.899 0.675 -6.493 30 3HG1 VAL 6 3HG1 VAL 6 -11.277 1.182 -4.829 31 1HG2 VAL 6 1HG2 VAL 6 -7.338 0.319 -6.182 32 2HG2 VAL 6 2HG2 VAL 6 -8.659 0.746 -7.296 33 3HG2 VAL 6 3HG2 VAL 6 -7.804 2.023 -6.398 34 H GLY 7 H GLY 7 -9.282 0.362 -1.818 35 1HA GLY 7 1HA GLY 7 -11.886 1.561 -1.414 36 2HA GLY 7 2HA GLY 7 -11.122 0.303 -0.464 37 H GLY 8 H GLY 8 -8.524 1.853 -0.179 38 1HA GLY 8 1HA GLY 8 -8.084 4.057 0.753 39 2HA GLY 8 2HA GLY 8 -9.515 3.870 1.747 40 H THR 9 H THR 9 -7.763 0.906 1.273 41 HA THR 9 HA THR 9 -6.023 1.307 3.553 42 HB THR 9 HB THR 9 -7.938 0.722 4.834 43 HG1 THR 9 1HG THR 9 -7.434 -1.544 5.327 44 1HG2 THR 9 1HG2 THR 9 -8.911 -1.693 3.620 45 2HG2 THR 9 2HG2 THR 9 -9.790 -0.160 3.831 46 3HG2 THR 9 3HG2 THR 9 -8.859 -0.455 2.343 47 H CYS 10 H CYS 10 -4.707 -0.730 3.984 48 HA CYS 10 HA CYS 10 -4.343 -2.127 1.433 49 1HB CYS 10 1HB CYS 10 -2.213 -1.145 3.342 50 2HB CYS 10 2HB CYS 10 -1.915 -2.229 1.998 51 H ASN 11 H ASN 11 -3.861 -4.394 1.621 52 HA ASN 11 HA ASN 11 -4.678 -5.468 4.158 53 1HB ASN 11 1HB ASN 11 -5.360 -6.242 1.689 54 2HB ASN 11 2HB ASN 11 -3.863 -7.150 1.764 55 1HD2 ASN 11 1HD2 ASN 11 -6.615 -8.076 1.640 56 2HD2 ASN 11 2HD2 ASN 11 -6.891 -9.089 3.017 57 H THR 12 H THR 12 -1.915 -5.529 1.814 58 HA THR 12 HA THR 12 -0.301 -7.352 3.176 59 HB THR 12 HB THR 12 0.289 -5.011 1.295 60 HG1 THR 12 1HG THR 12 -1.050 -6.986 0.701 61 1HG2 THR 12 1HG2 THR 12 2.475 -5.883 0.957 62 2HG2 THR 12 2HG2 THR 12 2.298 -5.974 2.725 63 3HG2 THR 12 3HG2 THR 12 2.073 -7.434 1.732 64 HA PRO 13 HA PRO 13 0.715 -5.394 6.691 65 1HB PRO 13 1HB PRO 13 2.978 -6.736 7.478 66 2HB PRO 13 2HB PRO 13 1.316 -7.402 7.626 67 1HG PRO 13 1HG PRO 13 3.428 -7.943 5.539 68 2HG PRO 13 2HG PRO 13 2.153 -9.028 6.186 69 1HD PRO 13 1HD PRO 13 2.015 -7.735 3.714 70 2HD PRO 13 2HD PRO 13 0.583 -8.296 4.642 71 H GLY 14 H GLY 14 1.512 -3.489 7.435 72 1HA GLY 14 1HA GLY 14 3.003 -1.801 7.660 73 2HA GLY 14 2HA GLY 14 4.220 -2.767 6.850 74 H CYS 15 H CYS 15 1.323 -2.722 5.011 75 HA CYS 15 HA CYS 15 2.566 -0.867 3.163 76 1HB CYS 15 1HB CYS 15 0.303 -2.846 2.895 77 2HB CYS 15 2HB CYS 15 0.682 -1.673 1.649 78 H THR 16 H THR 16 1.842 1.234 2.974 79 HA THR 16 HA THR 16 -0.546 1.953 4.499 80 HB THR 16 HB THR 16 0.473 4.312 3.897 81 HG1 THR 16 1HG THR 16 1.870 3.245 2.232 82 1HG2 THR 16 1HG2 THR 16 0.811 2.864 6.117 83 2HG2 THR 16 2HG2 THR 16 2.440 2.604 5.448 84 3HG2 THR 16 3HG2 THR 16 1.874 4.255 5.797 85 H CYS 17 H CYS 17 -2.160 3.410 3.595 86 HA CYS 17 HA CYS 17 -2.830 2.541 0.952 87 1HB CYS 17 1HB CYS 17 -4.551 2.669 2.650 88 2HB CYS 17 2HB CYS 17 -4.237 4.374 2.902 89 H SER 18 H SER 18 -1.189 3.503 -0.396 90 HA SER 18 HA SER 18 -1.183 6.399 -0.413 91 1HB SER 18 1HB SER 18 0.630 4.248 -1.449 92 2HB SER 18 2HB SER 18 0.568 5.729 -2.382 93 HG SER 18 HG SER 18 0.840 5.983 0.443 94 H TRP 19 H TRP 19 -3.573 6.159 -1.156 95 HA TRP 19 HA TRP 19 -4.535 4.831 -3.232 96 1HB TRP 19 1HB TRP 19 -5.415 6.900 -1.709 97 2HB TRP 19 2HB TRP 19 -5.304 7.682 -3.273 98 HD1 TRP 19 HD TRP 19 -7.279 4.916 -1.468 99 HE1 TRP 19 1HE TRP 19 -9.439 4.238 -2.823 100 HE3 TRP 19 3HE TRP 19 -6.161 7.624 -5.625 101 HZ2 TRP 19 2HZ TRP 19 -10.416 4.895 -5.423 102 HZ3 TRP 19 3HZ TRP 19 -7.771 7.551 -7.526 103 HH2 TRP 19 HH TRP 19 -9.838 6.247 -7.472 104 HA PRO 20 HA PRO 20 -5.584 4.797 -4.809 105 1HB PRO 20 1HB PRO 20 -5.579 3.506 -7.217 106 2HB PRO 20 2HB PRO 20 -6.461 4.992 -6.929 107 1HG PRO 20 1HG PRO 20 -3.938 4.592 -8.418 108 2HG PRO 20 2HG PRO 20 -5.042 5.953 -8.473 109 1HD PRO 20 1HD PRO 20 -2.518 5.844 -7.114 110 2HD PRO 20 2HD PRO 20 -3.674 7.161 -7.074 111 H VAL 21 H VAL 21 -2.333 4.184 -5.265 112 HA VAL 21 HA VAL 21 -2.740 1.302 -4.989 113 HB VAL 21 HB VAL 21 -0.205 1.367 -5.479 114 1HG1 VAL 21 1HG1 VAL 21 -0.759 1.772 -7.995 115 2HG1 VAL 21 2HG1 VAL 21 -1.540 0.423 -7.135 116 3HG1 VAL 21 3HG1 VAL 21 -2.436 1.934 -7.421 117 1HG2 VAL 21 1HG2 VAL 21 -0.226 3.944 -5.109 118 2HG2 VAL 21 2HG2 VAL 21 0.744 3.266 -6.438 119 3HG2 VAL 21 3HG2 VAL 21 -0.836 4.011 -6.780 120 H CYS 22 H CYS 22 -0.667 0.339 -3.663 121 HA CYS 22 HA CYS 22 -0.881 1.678 -1.080 122 1HB CYS 22 1HB CYS 22 -0.241 -1.168 -1.852 123 2HB CYS 22 2HB CYS 22 0.021 -0.549 -0.233 124 H THR 23 H THR 23 1.268 1.262 0.307 125 HA THR 23 HA THR 23 3.671 1.291 -1.308 126 HB THR 23 HB THR 23 4.197 3.563 0.042 127 HG1 THR 23 1HG THR 23 2.263 4.559 0.618 128 1HG2 THR 23 1HG2 THR 23 3.477 4.877 -1.879 129 2HG2 THR 23 2HG2 THR 23 4.022 3.305 -2.511 130 3HG2 THR 23 3HG2 THR 23 2.283 3.641 -2.343 131 H ARG 24 H ARG 24 5.654 1.274 0.053 132 HA ARG 24 HA ARG 24 5.023 0.328 2.726 133 1HB ARG 24 1HB ARG 24 5.446 -1.719 1.563 134 2HB ARG 24 2HB ARG 24 6.727 -1.015 0.596 135 1HG ARG 24 1HG ARG 24 8.296 -1.091 2.358 136 2HG ARG 24 2HG ARG 24 7.060 -1.097 3.601 137 1HD ARG 24 1HD ARG 24 6.745 -3.387 3.479 138 2HD ARG 24 2HD ARG 24 6.986 -3.439 1.744 139 HE ARG 24 HE ARG 24 9.498 -2.776 2.801 140 1HH1 ARG 24 2HH2 ARG 24 7.225 -5.439 3.149 141 2HH1 ARG 24 1HH2 ARG 24 8.453 -6.612 3.490 142 1HH2 ARG 24 2HH1 ARG 24 11.120 -4.323 3.250 143 2HH2 ARG 24 1HH1 ARG 24 10.684 -5.972 3.548 144 H ASN 25 H ASN 25 6.146 1.543 4.218 145 HA ASN 25 HA ASN 25 7.627 2.845 5.115 146 1HB ASN 25 1HB ASN 25 9.136 0.823 4.467 147 2HB ASN 25 2HB ASN 25 9.699 1.800 3.125 148 1HD2 ASN 25 1HD2 ASN 25 10.773 0.744 5.826 149 2HD2 ASN 25 2HD2 ASN 25 11.617 2.093 6.510 150 H GLY 26 H GLY 26 6.113 3.724 2.670 151 1HA GLY 26 1HA GLY 26 5.967 5.672 1.524 152 2HA GLY 26 2HA GLY 26 7.520 6.169 2.164 153 H LEU 27 H LEU 27 7.266 2.999 0.619 154 HA LEU 27 HA LEU 27 8.241 4.085 -1.900 155 1HB LEU 27 1HB LEU 27 9.738 1.910 -0.443 156 2HB LEU 27 2HB LEU 27 10.171 2.684 -1.954 157 HG LEU 27 HG LEU 27 9.961 4.305 0.575 158 1HD1 LEU 27 1HD1 LEU 27 12.011 3.707 1.377 159 2HD1 LEU 27 2HD1 LEU 27 11.498 2.148 0.689 160 3HD1 LEU 27 3HD1 LEU 27 12.617 3.195 -0.216 161 1HD2 LEU 27 1HD2 LEU 27 10.875 5.964 -0.614 162 2HD2 LEU 27 2HD2 LEU 27 12.065 4.888 -1.386 163 3HD2 LEU 27 3HD2 LEU 27 10.413 5.005 -2.040 164 HA PRO 28 HA PRO 28 5.274 1.323 -3.052 165 1HB PRO 28 1HB PRO 28 5.505 1.453 -5.785 166 2HB PRO 28 2HB PRO 28 4.679 2.699 -4.790 167 1HG PRO 28 1HG PRO 28 7.457 2.708 -5.968 168 2HG PRO 28 2HG PRO 28 6.339 4.079 -5.661 169 1HD PRO 28 1HD PRO 28 8.526 3.438 -4.045 170 2HD PRO 28 2HD PRO 28 7.086 4.352 -3.481 171 H VAL 29 H VAL 29 6.042 -0.607 -2.083 172 HA VAL 29 HA VAL 29 7.039 -2.420 -4.145 173 HB VAL 29 HB VAL 29 8.640 -3.365 -2.523 174 1HG1 VAL 29 1HG1 VAL 29 9.155 -0.413 -3.003 175 2HG1 VAL 29 2HG1 VAL 29 10.357 -1.716 -2.841 176 3HG1 VAL 29 3HG1 VAL 29 9.284 -1.666 -4.260 177 1HG2 VAL 29 1HG2 VAL 29 7.488 -2.516 -0.471 178 2HG2 VAL 29 2HG2 VAL 29 9.240 -2.203 -0.496 179 3HG2 VAL 29 3HG2 VAL 29 8.095 -0.888 -0.855 Start of MODEL 19 1 H CYS 1 H CYS 1 4.399 -1.885 -2.901 2 HA CYS 1 HA CYS 1 3.969 -4.271 -1.285 3 1HB CYS 1 1HB CYS 1 2.220 -1.882 -1.884 4 2HB CYS 1 2HB CYS 1 1.635 -3.318 -1.067 5 H GLY 2 H GLY 2 2.485 -2.497 -4.107 6 1HA GLY 2 1HA GLY 2 2.047 -3.409 -6.190 7 2HA GLY 2 2HA GLY 2 2.263 -5.027 -5.552 8 H GLU 3 H GLU 3 0.397 -3.159 -3.369 9 HA GLU 3 HA GLU 3 -1.986 -4.477 -4.374 10 1HB GLU 3 1HB GLU 3 -1.305 -3.309 -1.642 11 2HB GLU 3 2HB GLU 3 -2.884 -3.951 -2.049 12 1HG GLU 3 1HG GLU 3 -1.810 -6.156 -2.630 13 2HG GLU 3 2HG GLU 3 -0.256 -5.506 -2.148 14 H THR 4 H THR 4 -4.119 -3.205 -4.001 15 HA THR 4 HA THR 4 -3.648 -0.357 -4.594 16 HB THR 4 HB THR 4 -5.709 -0.625 -6.093 17 HG1 THR 4 1HG THR 4 -6.332 -2.837 -6.424 18 1HG2 THR 4 1HG2 THR 4 -4.290 -1.027 -7.839 19 2HG2 THR 4 2HG2 THR 4 -3.019 -1.389 -6.647 20 3HG2 THR 4 3HG2 THR 4 -4.033 -2.701 -7.292 21 H CYS 5 H CYS 5 -4.327 0.904 -2.988 22 HA CYS 5 HA CYS 5 -6.337 -0.160 -1.200 23 1HB CYS 5 1HB CYS 5 -5.712 1.505 0.321 24 2HB CYS 5 2HB CYS 5 -4.218 0.929 -0.392 25 H VAL 6 H VAL 6 -7.479 0.162 -3.665 26 HA VAL 6 HA VAL 6 -8.381 2.715 -4.305 27 HB VAL 6 HB VAL 6 -9.351 -0.080 -4.842 28 1HG1 VAL 6 1HG1 VAL 6 -10.836 1.127 -6.616 29 2HG1 VAL 6 2HG1 VAL 6 -11.415 0.988 -4.939 30 3HG1 VAL 6 3HG1 VAL 6 -10.714 2.520 -5.514 31 1HG2 VAL 6 1HG2 VAL 6 -7.874 2.055 -6.369 32 2HG2 VAL 6 2HG2 VAL 6 -7.457 0.342 -6.125 33 3HG2 VAL 6 3HG2 VAL 6 -8.776 0.787 -7.234 34 H GLY 7 H GLY 7 -9.275 0.476 -1.748 35 1HA GLY 7 1HA GLY 7 -11.857 1.704 -1.273 36 2HA GLY 7 2HA GLY 7 -11.085 0.430 -0.349 37 H GLY 8 H GLY 8 -8.465 1.916 -0.106 38 1HA GLY 8 1HA GLY 8 -7.949 4.112 0.816 39 2HA GLY 8 2HA GLY 8 -9.366 3.961 1.836 40 H THR 9 H THR 9 -7.736 0.940 1.342 41 HA THR 9 HA THR 9 -5.919 1.289 3.570 42 HB THR 9 HB THR 9 -8.047 -0.871 3.788 43 HG1 THR 9 1HG THR 9 -9.253 1.076 3.720 44 1HG2 THR 9 1HG2 THR 9 -6.539 0.790 5.875 45 2HG2 THR 9 2HG2 THR 9 -7.605 -0.599 6.197 46 3HG2 THR 9 3HG2 THR 9 -6.052 -0.844 5.362 47 H CYS 10 H CYS 10 -4.568 -0.675 3.925 48 HA CYS 10 HA CYS 10 -4.375 -2.157 1.403 49 1HB CYS 10 1HB CYS 10 -2.146 -1.218 3.220 50 2HB CYS 10 2HB CYS 10 -1.932 -2.315 1.870 51 H ASN 11 H ASN 11 -3.520 -4.413 1.676 52 HA ASN 11 HA ASN 11 -4.487 -5.473 4.185 53 1HB ASN 11 1HB ASN 11 -5.378 -6.512 2.133 54 2HB ASN 11 2HB ASN 11 -3.760 -6.786 1.516 55 1HD2 ASN 11 1HD2 ASN 11 -2.669 -8.561 2.052 56 2HD2 ASN 11 2HD2 ASN 11 -3.201 -9.788 3.154 57 H THR 12 H THR 12 -1.742 -5.956 1.824 58 HA THR 12 HA THR 12 -0.105 -7.531 3.315 59 HB THR 12 HB THR 12 0.441 -5.259 1.348 60 HG1 THR 12 1HG THR 12 -0.691 -7.463 0.950 61 1HG2 THR 12 1HG2 THR 12 2.411 -7.479 1.985 62 2HG2 THR 12 2HG2 THR 12 2.708 -5.921 1.177 63 3HG2 THR 12 3HG2 THR 12 2.454 -5.976 2.938 64 HA PRO 13 HA PRO 13 0.798 -5.486 6.812 65 1HB PRO 13 1HB PRO 13 3.051 -6.786 7.688 66 2HB PRO 13 2HB PRO 13 1.393 -7.467 7.806 67 1HG PRO 13 1HG PRO 13 3.565 -8.031 5.789 68 2HG PRO 13 2HG PRO 13 2.283 -9.115 6.426 69 1HD PRO 13 1HD PRO 13 2.199 -7.878 3.923 70 2HD PRO 13 2HD PRO 13 0.749 -8.433 4.825 71 H GLY 14 H GLY 14 1.505 -3.520 7.457 72 1HA GLY 14 1HA GLY 14 2.998 -1.828 7.714 73 2HA GLY 14 2HA GLY 14 4.241 -2.793 6.943 74 H CYS 15 H CYS 15 1.313 -2.752 5.107 75 HA CYS 15 HA CYS 15 2.587 -0.954 3.217 76 1HB CYS 15 1HB CYS 15 0.373 -2.983 2.992 77 2HB CYS 15 2HB CYS 15 0.651 -1.790 1.739 78 H THR 16 H THR 16 1.859 1.142 2.972 79 HA THR 16 HA THR 16 -0.546 1.885 4.462 80 HB THR 16 HB THR 16 0.443 4.221 4.010 81 HG1 THR 16 1HG THR 16 1.794 3.774 2.229 82 1HG2 THR 16 1HG2 THR 16 1.009 2.852 6.119 83 2HG2 THR 16 2HG2 THR 16 2.459 2.287 5.256 84 3HG2 THR 16 3HG2 THR 16 2.257 4.018 5.619 85 H CYS 17 H CYS 17 -2.117 3.376 3.506 86 HA CYS 17 HA CYS 17 -2.745 2.470 0.859 87 1HB CYS 17 1HB CYS 17 -4.545 2.572 2.405 88 2HB CYS 17 2HB CYS 17 -4.172 4.223 2.856 89 H SER 18 H SER 18 -1.206 3.416 -0.563 90 HA SER 18 HA SER 18 -1.135 6.316 -0.544 91 1HB SER 18 1HB SER 18 1.064 5.434 -0.704 92 2HB SER 18 2HB SER 18 0.583 4.171 -1.819 93 HG SER 18 HG SER 18 1.116 6.928 -2.317 94 H TRP 19 H TRP 19 -3.547 6.081 -1.245 95 HA TRP 19 HA TRP 19 -4.544 4.788 -3.326 96 1HB TRP 19 1HB TRP 19 -5.436 6.774 -1.751 97 2HB TRP 19 2HB TRP 19 -5.269 7.666 -3.251 98 HD1 TRP 19 HD TRP 19 -7.415 4.934 -1.646 99 HE1 TRP 19 1HE TRP 19 -9.525 4.359 -3.123 100 HE3 TRP 19 3HE TRP 19 -5.966 7.637 -5.702 101 HZ2 TRP 19 2HZ TRP 19 -10.333 5.083 -5.763 102 HZ3 TRP 19 3HZ TRP 19 -7.473 7.650 -7.687 103 HH2 TRP 19 HH TRP 19 -9.590 6.432 -7.760 104 HA PRO 20 HA PRO 20 -5.588 4.741 -4.885 105 1HB PRO 20 1HB PRO 20 -5.590 3.467 -7.303 106 2HB PRO 20 2HB PRO 20 -6.490 4.939 -6.995 107 1HG PRO 20 1HG PRO 20 -3.978 4.586 -8.513 108 2HG PRO 20 2HG PRO 20 -5.101 5.930 -8.547 109 1HD PRO 20 1HD PRO 20 -2.562 5.849 -7.215 110 2HD PRO 20 2HD PRO 20 -3.737 7.148 -7.154 111 H VAL 21 H VAL 21 -2.333 4.161 -5.437 112 HA VAL 21 HA VAL 21 -2.693 1.276 -5.203 113 HB VAL 21 HB VAL 21 -0.168 1.370 -5.647 114 1HG1 VAL 21 1HG1 VAL 21 -2.032 0.779 -7.277 115 2HG1 VAL 21 2HG1 VAL 21 -1.910 2.450 -7.877 116 3HG1 VAL 21 3HG1 VAL 21 -0.510 1.357 -7.997 117 1HG2 VAL 21 1HG2 VAL 21 -0.149 3.904 -5.104 118 2HG2 VAL 21 2HG2 VAL 21 0.815 3.321 -6.482 119 3HG2 VAL 21 3HG2 VAL 21 -0.755 4.111 -6.764 120 H CYS 22 H CYS 22 -0.684 0.280 -3.843 121 HA CYS 22 HA CYS 22 -0.957 1.551 -1.232 122 1HB CYS 22 1HB CYS 22 -0.404 -1.272 -2.109 123 2HB CYS 22 2HB CYS 22 0.000 -0.740 -0.489 124 H THR 23 H THR 23 1.115 1.267 0.201 125 HA THR 23 HA THR 23 3.576 1.283 -1.353 126 HB THR 23 HB THR 23 4.081 3.513 0.029 127 HG1 THR 23 1HG THR 23 1.183 3.165 -0.207 128 1HG2 THR 23 1HG2 THR 23 4.028 3.659 -2.400 129 2HG2 THR 23 2HG2 THR 23 2.275 3.350 -2.435 130 3HG2 THR 23 3HG2 THR 23 2.894 4.891 -1.795 131 H ARG 24 H ARG 24 5.521 1.505 0.202 132 HA ARG 24 HA ARG 24 4.837 0.408 2.784 133 1HB ARG 24 1HB ARG 24 5.280 -1.644 1.666 134 2HB ARG 24 2HB ARG 24 6.528 -0.941 0.657 135 1HG ARG 24 1HG ARG 24 8.167 -1.235 2.242 136 2HG ARG 24 2HG ARG 24 7.113 -0.780 3.567 137 1HD ARG 24 1HD ARG 24 6.566 -2.953 4.027 138 2HD ARG 24 2HD ARG 24 6.291 -3.335 2.339 139 HE ARG 24 HE ARG 24 8.528 -4.061 2.137 140 1HH1 ARG 24 2HH2 ARG 24 8.057 -2.425 5.217 141 2HH1 ARG 24 1HH2 ARG 24 9.586 -2.923 5.861 142 1HH2 ARG 24 2HH1 ARG 24 10.545 -4.719 2.986 143 2HH2 ARG 24 1HH1 ARG 24 11.010 -4.237 4.583 144 H ASN 25 H ASN 25 5.922 1.634 4.293 145 HA ASN 25 HA ASN 25 7.394 2.920 5.228 146 1HB ASN 25 1HB ASN 25 9.213 1.350 3.361 147 2HB ASN 25 2HB ASN 25 9.887 2.637 4.341 148 1HD2 ASN 25 1HD2 ASN 25 10.125 -0.358 4.333 149 2HD2 ASN 25 2HD2 ASN 25 9.831 -0.861 5.964 150 H GLY 26 H GLY 26 5.996 3.695 2.604 151 1HA GLY 26 1HA GLY 26 5.866 5.693 1.514 152 2HA GLY 26 2HA GLY 26 7.418 6.172 2.172 153 H LEU 27 H LEU 27 7.112 2.998 0.633 154 HA LEU 27 HA LEU 27 8.129 4.043 -1.881 155 1HB LEU 27 1HB LEU 27 9.618 1.884 -0.396 156 2HB LEU 27 2HB LEU 27 10.064 2.659 -1.903 157 HG LEU 27 HG LEU 27 9.828 4.268 0.633 158 1HD1 LEU 27 1HD1 LEU 27 11.324 2.720 1.450 159 2HD1 LEU 27 2HD1 LEU 27 12.027 2.386 -0.151 160 3HD1 LEU 27 3HD1 LEU 27 12.418 3.903 0.694 161 1HD2 LEU 27 1HD2 LEU 27 10.014 5.351 -1.642 162 2HD2 LEU 27 2HD2 LEU 27 11.253 5.819 -0.453 163 3HD2 LEU 27 3HD2 LEU 27 11.652 4.662 -1.745 164 HA PRO 28 HA PRO 28 5.176 1.262 -3.018 165 1HB PRO 28 1HB PRO 28 5.439 1.339 -5.750 166 2HB PRO 28 2HB PRO 28 4.603 2.605 -4.789 167 1HG PRO 28 1HG PRO 28 7.395 2.586 -5.934 168 2HG PRO 28 2HG PRO 28 6.276 3.965 -5.666 169 1HD PRO 28 1HD PRO 28 8.443 3.352 -4.014 170 2HD PRO 28 2HD PRO 28 6.998 4.279 -3.484 171 H VAL 29 H VAL 29 6.127 -0.584 -1.935 172 HA VAL 29 HA VAL 29 7.129 -2.446 -3.970 173 HB VAL 29 HB VAL 29 8.672 -3.355 -2.316 174 1HG1 VAL 29 1HG1 VAL 29 9.976 -0.970 -2.037 175 2HG1 VAL 29 2HG1 VAL 29 9.976 -1.958 -3.518 176 3HG1 VAL 29 3HG1 VAL 29 8.842 -0.595 -3.357 177 1HG2 VAL 29 1HG2 VAL 29 9.010 -2.486 -0.164 178 2HG2 VAL 29 2HG2 VAL 29 8.128 -0.982 -0.528 179 3HG2 VAL 29 3HG2 VAL 29 7.239 -2.512 -0.340 Start of MODEL 20 1 H CYS 1 H CYS 1 4.191 -1.913 -3.052 2 HA CYS 1 HA CYS 1 3.976 -4.232 -1.301 3 1HB CYS 1 1HB CYS 1 2.114 -1.923 -1.866 4 2HB CYS 1 2HB CYS 1 1.618 -3.345 -0.969 5 H GLY 2 H GLY 2 2.660 -2.708 -4.313 6 1HA GLY 2 1HA GLY 2 2.143 -3.841 -6.258 7 2HA GLY 2 2HA GLY 2 2.132 -5.365 -5.393 8 H GLU 3 H GLU 3 0.434 -4.156 -3.152 9 HA GLU 3 HA GLU 3 -2.054 -4.687 -4.456 10 1HB GLU 3 1HB GLU 3 -1.923 -5.737 -2.360 11 2HB GLU 3 2HB GLU 3 -1.125 -4.373 -1.603 12 1HG GLU 3 1HG GLU 3 -3.161 -3.097 -1.491 13 2HG GLU 3 2HG GLU 3 -3.980 -4.146 -2.630 14 H THR 4 H THR 4 -3.944 -3.246 -4.342 15 HA THR 4 HA THR 4 -3.130 -0.419 -4.170 16 HB THR 4 HB THR 4 -4.829 -0.046 -5.938 17 HG1 THR 4 1HG THR 4 -5.051 -2.961 -5.893 18 1HG2 THR 4 1HG2 THR 4 -3.223 -0.642 -7.452 19 2HG2 THR 4 2HG2 THR 4 -2.529 -1.813 -6.305 20 3HG2 THR 4 3HG2 THR 4 -3.856 -2.304 -7.385 21 H CYS 5 H CYS 5 -4.301 1.003 -2.948 22 HA CYS 5 HA CYS 5 -6.292 -0.276 -1.247 23 1HB CYS 5 1HB CYS 5 -5.876 1.393 0.361 24 2HB CYS 5 2HB CYS 5 -4.314 0.844 -0.213 25 H VAL 6 H VAL 6 -7.342 0.041 -3.711 26 HA VAL 6 HA VAL 6 -8.270 2.573 -4.396 27 HB VAL 6 HB VAL 6 -9.123 -0.247 -4.975 28 1HG1 VAL 6 1HG1 VAL 6 -11.214 0.956 -4.975 29 2HG1 VAL 6 2HG1 VAL 6 -10.504 2.282 -5.927 30 3HG1 VAL 6 3HG1 VAL 6 -10.722 0.676 -6.663 31 1HG2 VAL 6 1HG2 VAL 6 -7.221 0.268 -6.208 32 2HG2 VAL 6 2HG2 VAL 6 -8.530 0.670 -7.346 33 3HG2 VAL 6 3HG2 VAL 6 -7.705 1.965 -6.445 34 H GLY 7 H GLY 7 -9.216 0.330 -1.866 35 1HA GLY 7 1HA GLY 7 -11.846 1.494 -1.509 36 2HA GLY 7 2HA GLY 7 -11.083 0.245 -0.546 37 H GLY 8 H GLY 8 -8.512 1.801 -0.209 38 1HA GLY 8 1HA GLY 8 -8.099 4.014 0.718 39 2HA GLY 8 2HA GLY 8 -9.541 3.820 1.696 40 H THR 9 H THR 9 -7.744 0.874 1.245 41 HA THR 9 HA THR 9 -6.046 1.297 3.553 42 HB THR 9 HB THR 9 -7.973 0.684 4.803 43 HG1 THR 9 1HG THR 9 -7.454 -1.589 5.287 44 1HG2 THR 9 1HG2 THR 9 -8.841 -0.499 2.297 45 2HG2 THR 9 2HG2 THR 9 -8.890 -1.745 3.567 46 3HG2 THR 9 3HG2 THR 9 -9.796 -0.227 3.774 47 H CYS 10 H CYS 10 -4.721 -0.736 4.007 48 HA CYS 10 HA CYS 10 -4.304 -2.134 1.466 49 1HB CYS 10 1HB CYS 10 -2.192 -1.112 3.376 50 2HB CYS 10 2HB CYS 10 -1.880 -2.175 2.018 51 H ASN 11 H ASN 11 -3.906 -4.391 1.666 52 HA ASN 11 HA ASN 11 -4.641 -5.442 4.231 53 1HB ASN 11 1HB ASN 11 -4.215 -6.643 1.460 54 2HB ASN 11 2HB ASN 11 -4.422 -7.678 2.858 55 1HD2 ASN 11 1HD2 ASN 11 -6.367 -8.522 2.525 56 2HD2 ASN 11 2HD2 ASN 11 -7.851 -7.641 2.374 57 H THR 12 H THR 12 -1.902 -5.389 1.882 58 HA THR 12 HA THR 12 -0.261 -7.259 3.166 59 HB THR 12 HB THR 12 0.285 -4.861 1.343 60 HG1 THR 12 1HG THR 12 0.203 -7.782 1.051 61 1HG2 THR 12 1HG2 THR 12 2.475 -5.712 0.952 62 2HG2 THR 12 2HG2 THR 12 2.322 -5.832 2.721 63 3HG2 THR 12 3HG2 THR 12 2.096 -7.278 1.708 64 HA PRO 13 HA PRO 13 0.771 -5.383 6.722 65 1HB PRO 13 1HB PRO 13 3.055 -6.720 7.450 66 2HB PRO 13 2HB PRO 13 1.403 -7.409 7.597 67 1HG PRO 13 1HG PRO 13 3.499 -7.869 5.476 68 2HG PRO 13 2HG PRO 13 2.242 -8.986 6.106 69 1HD PRO 13 1HD PRO 13 2.065 -7.630 3.671 70 2HD PRO 13 2HD PRO 13 0.649 -8.231 4.598 71 H GLY 14 H GLY 14 1.549 -3.486 7.502 72 1HA GLY 14 1HA GLY 14 2.996 -1.766 7.737 73 2HA GLY 14 2HA GLY 14 4.243 -2.717 6.956 74 H CYS 15 H CYS 15 1.293 -2.595 5.133 75 HA CYS 15 HA CYS 15 2.589 -0.759 3.285 76 1HB CYS 15 1HB CYS 15 0.372 -2.779 2.965 77 2HB CYS 15 2HB CYS 15 0.727 -1.580 1.738 78 H THR 16 H THR 16 1.836 1.332 3.088 79 HA THR 16 HA THR 16 -0.582 2.012 4.580 80 HB THR 16 HB THR 16 0.337 4.287 4.475 81 HG1 THR 16 1HG THR 16 1.727 4.719 2.789 82 1HG2 THR 16 1HG2 THR 16 2.774 2.460 4.722 83 2HG2 THR 16 2HG2 THR 16 2.495 4.021 5.531 84 3HG2 THR 16 3HG2 THR 16 1.555 2.589 6.014 85 H CYS 17 H CYS 17 -2.181 3.493 3.651 86 HA CYS 17 HA CYS 17 -2.811 2.605 0.996 87 1HB CYS 17 1HB CYS 17 -4.560 2.688 2.667 88 2HB CYS 17 2HB CYS 17 -4.279 4.396 2.940 89 H SER 18 H SER 18 -1.275 3.600 -0.405 90 HA SER 18 HA SER 18 -1.316 6.504 -0.374 91 1HB SER 18 1HB SER 18 0.843 4.940 -0.530 92 2HB SER 18 2HB SER 18 0.428 4.884 -2.232 93 HG SER 18 HG SER 18 0.553 7.195 -2.325 94 H TRP 19 H TRP 19 -3.668 6.232 -1.170 95 HA TRP 19 HA TRP 19 -4.571 4.868 -3.249 96 1HB TRP 19 1HB TRP 19 -5.505 6.946 -1.764 97 2HB TRP 19 2HB TRP 19 -5.388 7.702 -3.341 98 HD1 TRP 19 HD TRP 19 -7.324 4.914 -1.520 99 HE1 TRP 19 1HE TRP 19 -9.459 4.180 -2.885 100 HE3 TRP 19 3HE TRP 19 -6.233 7.614 -5.688 101 HZ2 TRP 19 2HZ TRP 19 -10.431 4.797 -5.497 102 HZ3 TRP 19 3HZ TRP 19 -7.827 7.492 -7.601 103 HH2 TRP 19 HH TRP 19 -9.866 6.145 -7.551 104 HA PRO 20 HA PRO 20 -5.596 4.810 -4.844 105 1HB PRO 20 1HB PRO 20 -5.539 3.505 -7.244 106 2HB PRO 20 2HB PRO 20 -6.443 4.983 -6.978 107 1HG PRO 20 1HG PRO 20 -3.894 4.606 -8.427 108 2HG PRO 20 2HG PRO 20 -5.013 5.952 -8.506 109 1HD PRO 20 1HD PRO 20 -2.509 5.883 -7.109 110 2HD PRO 20 2HD PRO 20 -3.682 7.185 -7.094 111 H VAL 21 H VAL 21 -2.331 4.233 -5.256 112 HA VAL 21 HA VAL 21 -2.711 1.347 -4.966 113 HB VAL 21 HB VAL 21 -1.313 2.401 -6.812 114 1HG1 VAL 21 1HG1 VAL 21 0.531 3.616 -6.384 115 2HG1 VAL 21 2HG1 VAL 21 -0.161 3.825 -4.758 116 3HG1 VAL 21 3HG1 VAL 21 1.043 2.548 -5.055 117 1HG2 VAL 21 1HG2 VAL 21 -0.091 0.483 -6.963 118 2HG2 VAL 21 2HG2 VAL 21 0.472 0.573 -5.277 119 3HG2 VAL 21 3HG2 VAL 21 -1.171 -0.010 -5.636 120 H CYS 22 H CYS 22 -0.634 0.418 -3.618 121 HA CYS 22 HA CYS 22 -0.889 1.769 -1.044 122 1HB CYS 22 1HB CYS 22 -0.206 -1.073 -1.794 123 2HB CYS 22 2HB CYS 22 0.035 -0.441 -0.177 124 H THR 23 H THR 23 1.273 1.309 0.360 125 HA THR 23 HA THR 23 3.665 1.470 -1.281 126 HB THR 23 HB THR 23 4.266 3.629 0.055 127 HG1 THR 23 1HG THR 23 2.409 3.347 1.523 128 1HG2 THR 23 1HG2 THR 23 1.958 3.662 -1.960 129 2HG2 THR 23 2HG2 THR 23 2.830 5.116 -1.418 130 3HG2 THR 23 3HG2 THR 23 3.688 3.852 -2.333 131 H ARG 24 H ARG 24 5.661 1.313 0.017 132 HA ARG 24 HA ARG 24 5.084 0.140 2.613 133 1HB ARG 24 1HB ARG 24 5.526 -1.789 1.278 134 2HB ARG 24 2HB ARG 24 6.764 -0.976 0.342 135 1HG ARG 24 1HG ARG 24 8.407 -1.443 1.869 136 2HG ARG 24 2HG ARG 24 7.382 -1.059 3.237 137 1HD ARG 24 1HD ARG 24 6.601 -3.241 3.452 138 2HD ARG 24 2HD ARG 24 6.689 -3.563 1.731 139 HE ARG 24 HE ARG 24 9.344 -3.183 2.802 140 1HH1 ARG 24 2HH2 ARG 24 6.717 -5.521 2.687 141 2HH1 ARG 24 1HH2 ARG 24 7.755 -6.891 2.899 142 1HH2 ARG 24 2HH1 ARG 24 10.715 -4.990 3.082 143 2HH2 ARG 24 1HH1 ARG 24 10.045 -6.587 3.126 144 H ASN 25 H ASN 25 6.160 1.311 4.171 145 HA ASN 25 HA ASN 25 7.629 2.557 5.163 146 1HB ASN 25 1HB ASN 25 9.450 1.141 3.176 147 2HB ASN 25 2HB ASN 25 10.112 2.356 4.251 148 1HD2 ASN 25 1HD2 ASN 25 10.396 -0.621 4.016 149 2HD2 ASN 25 2HD2 ASN 25 10.110 -1.254 5.602 150 H GLY 26 H GLY 26 6.189 3.472 2.608 151 1HA GLY 26 1HA GLY 26 6.026 5.552 1.672 152 2HA GLY 26 2HA GLY 26 7.609 5.976 2.292 153 H LEU 27 H LEU 27 7.183 2.907 0.570 154 HA LEU 27 HA LEU 27 8.098 4.088 -1.919 155 1HB LEU 27 1HB LEU 27 9.661 1.872 -0.599 156 2HB LEU 27 2HB LEU 27 10.024 2.686 -2.108 157 HG LEU 27 HG LEU 27 9.948 4.193 0.505 158 1HD1 LEU 27 1HD1 LEU 27 12.567 3.256 -0.564 159 2HD1 LEU 27 2HD1 LEU 27 12.060 3.602 1.107 160 3HD1 LEU 27 3HD1 LEU 27 11.564 2.083 0.323 161 1HD2 LEU 27 1HD2 LEU 27 11.401 5.761 -0.655 162 2HD2 LEU 27 2HD2 LEU 27 11.408 4.719 -2.099 163 3HD2 LEU 27 3HD2 LEU 27 9.898 5.503 -1.573 164 HA PRO 28 HA PRO 28 5.105 1.362 -3.076 165 1HB PRO 28 1HB PRO 28 5.259 1.571 -5.809 166 2HB PRO 28 2HB PRO 28 4.465 2.790 -4.756 167 1HG PRO 28 1HG PRO 28 7.209 2.826 -6.011 168 2HG PRO 28 2HG PRO 28 6.104 4.190 -5.632 169 1HD PRO 28 1HD PRO 28 8.334 3.498 -4.099 170 2HD PRO 28 2HD PRO 28 6.913 4.398 -3.468 171 H VAL 29 H VAL 29 5.896 -0.596 -2.185 172 HA VAL 29 HA VAL 29 6.775 -2.369 -4.325 173 HB VAL 29 HB VAL 29 8.528 -3.309 -2.917 174 1HG1 VAL 29 1HG1 VAL 29 9.213 -1.647 -4.516 175 2HG1 VAL 29 2HG1 VAL 29 8.748 -0.324 -3.420 176 3HG1 VAL 29 3HG1 VAL 29 10.125 -1.376 -3.011 177 1HG2 VAL 29 1HG2 VAL 29 7.393 -2.525 -0.744 178 2HG2 VAL 29 2HG2 VAL 29 9.170 -2.463 -0.818 179 3HG2 VAL 29 3HG2 VAL 29 8.219 -0.973 -1.024
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