NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
16140 | 1zjq | 6654 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H GLY 1 1HT GLY 1 13.044 5.672 3.983 2 2H GLY 1 2HT GLY 1 11.714 6.276 4.852 3 3H GLY 1 3HT GLY 1 11.774 6.438 3.161 4 1HA GLY 1 2HA GLY 1 11.402 4.180 2.788 5 2HA GLY 1 1HA GLY 1 11.783 3.784 4.464 6 H CYS 2 H CYS 2 9.544 6.026 2.774 7 HA CYS 2 HA CYS 2 7.391 5.093 4.649 8 1HB CYS 2 2HB CYS 2 8.491 7.684 4.048 9 2HB CYS 2 1HB CYS 2 6.800 7.651 3.547 10 H GLY 3 H GLY 3 5.942 3.863 3.537 11 1HA GLY 3 2HA GLY 3 5.690 4.052 0.626 12 2HA GLY 3 1HA GLY 3 4.815 2.936 1.674 13 H GLY 4 H GLY 4 4.440 5.593 -0.284 14 1HA GLY 4 2HA GLY 4 2.134 6.683 1.258 15 2HA GLY 4 1HA GLY 4 2.901 7.474 -0.120 16 H LEU 5 H LEU 5 2.103 7.067 -2.164 17 HA LEU 5 HA LEU 5 -0.245 5.226 -2.333 18 1HB LEU 5 2HB LEU 5 0.465 7.862 -3.313 19 2HB LEU 5 1HB LEU 5 -0.020 6.814 -4.648 20 HG LEU 5 HG LEU 5 -1.624 7.028 -2.094 21 1HD1 LEU 5 1HD1 LEU 5 -1.319 9.234 -3.394 22 2HD1 LEU 5 2HD1 LEU 5 -2.972 8.711 -3.074 23 3HD1 LEU 5 3HD1 LEU 5 -2.263 8.466 -4.670 24 1HD2 LEU 5 1HD2 LEU 5 -3.274 5.843 -3.257 25 2HD2 LEU 5 2HD2 LEU 5 -1.798 5.098 -3.870 26 3HD2 LEU 5 3HD2 LEU 5 -2.638 6.312 -4.835 27 H MET 6 H MET 6 3.045 5.256 -3.144 28 HA MET 6 HA MET 6 2.605 3.078 -5.132 29 1HB MET 6 2HB MET 6 3.122 5.627 -5.924 30 2HB MET 6 1HB MET 6 4.768 5.026 -5.727 31 1HG MET 6 2HG MET 6 4.194 4.508 -7.976 32 2HG MET 6 1HG MET 6 4.016 2.988 -7.099 33 1HE MET 6 1HE MET 6 1.101 5.705 -9.090 34 2HE MET 6 2HE MET 6 2.667 6.074 -8.372 35 3HE MET 6 3HE MET 6 1.210 6.177 -7.388 36 H ALA 7 H ALA 7 3.328 2.694 -2.475 37 HA ALA 7 HA ALA 7 6.228 2.596 -2.110 38 1HB ALA 7 1HB ALA 7 4.290 0.940 -0.542 39 2HB ALA 7 2HB ALA 7 4.139 2.696 -0.458 40 3HB ALA 7 3HB ALA 7 5.643 1.916 0.030 41 H GLY 8 H GLY 8 6.460 -0.012 -0.994 42 1HA GLY 8 2HA GLY 8 6.259 -1.697 -3.464 43 2HA GLY 8 1HA GLY 8 7.619 -1.786 -2.348 44 H CYS 9 H CYS 9 4.808 -3.313 -3.208 45 HA CYS 9 HA CYS 9 4.255 -4.358 -0.458 46 1HB CYS 9 2HB CYS 9 2.581 -3.409 -2.358 47 2HB CYS 9 1HB CYS 9 2.611 -5.107 -2.828 48 H ASP 10 H ASP 10 6.563 -5.114 -2.354 49 HA ASP 10 HA ASP 10 6.071 -7.782 -3.347 50 1HB ASP 10 2HB ASP 10 7.854 -6.238 -4.127 51 2HB ASP 10 1HB ASP 10 8.642 -6.372 -2.555 52 H GLY 11 H GLY 11 7.089 -6.490 -0.229 53 1HA GLY 11 2HA GLY 11 8.053 -8.994 0.854 54 2HA GLY 11 1HA GLY 11 7.650 -7.555 1.787 55 H LYS 12 H LYS 12 4.898 -7.793 0.223 56 HA LYS 12 HA LYS 12 2.778 -8.686 0.642 57 1HB LYS 12 2HB LYS 12 2.835 -10.946 0.513 58 2HB LYS 12 1HB LYS 12 4.587 -10.795 0.536 59 1HG LYS 12 2HG LYS 12 4.267 -10.749 3.150 60 2HG LYS 12 1HG LYS 12 2.719 -11.505 2.778 61 1HD LYS 12 2HD LYS 12 3.687 -13.457 2.067 62 2HD LYS 12 1HD LYS 12 5.095 -12.634 1.396 63 1HE LYS 12 2HE LYS 12 4.746 -12.604 4.375 64 2HE LYS 12 1HE LYS 12 5.333 -14.092 3.608 65 1HZ LYS 12 1HZ LYS 12 7.180 -13.052 2.771 66 2HZ LYS 12 2HZ LYS 12 6.996 -12.188 4.222 67 3HZ LYS 12 3HZ LYS 12 6.463 -11.514 2.757 68 H SER 13 H SER 13 4.696 -7.415 2.915 69 HA SER 13 HA SER 13 2.570 -7.402 4.949 70 1HB SER 13 2HB SER 13 4.072 -8.358 6.685 71 2HB SER 13 1HB SER 13 3.777 -9.503 5.381 72 HG SER 13 HG SER 13 5.805 -9.348 4.782 73 H THR 14 H THR 14 3.913 -5.364 3.314 74 HA THR 14 HA THR 14 5.844 -3.941 4.980 75 HB THR 14 HB THR 14 5.680 -3.887 2.459 76 HG1 THR 14 1HG THR 14 6.810 -2.213 3.106 77 1HG2 THR 14 1HG2 THR 14 3.133 -2.406 3.133 78 2HG2 THR 14 2HG2 THR 14 3.341 -3.788 2.056 79 3HG2 THR 14 3HG2 THR 14 3.955 -2.202 1.586 80 H PHE 15 H PHE 15 5.362 -1.666 5.781 81 HA PHE 15 HA PHE 15 2.570 -1.509 6.882 82 1HB PHE 15 2HB PHE 15 4.533 -1.911 8.430 83 2HB PHE 15 1HB PHE 15 5.143 -0.323 7.969 84 HD1 PHE 15 1HD PHE 15 4.852 1.095 9.818 85 HD2 PHE 15 2HD PHE 15 1.643 -1.509 8.636 86 HE1 PHE 15 1HE PHE 15 3.368 2.157 11.497 87 HE2 PHE 15 2HE PHE 15 0.162 -0.445 10.316 88 HZ PHE 15 HZ PHE 15 1.024 1.388 11.746 89 H CYS 16 H CYS 16 4.260 -0.182 4.417 90 HA CYS 16 HA CYS 16 4.231 1.887 3.294 91 1HB CYS 16 2HB CYS 16 1.650 2.259 4.840 92 2HB CYS 16 1HB CYS 16 2.028 2.832 3.217 93 H CYS 17 H CYS 17 2.982 4.362 4.320 94 HA CYS 17 HA CYS 17 5.074 5.089 6.322 95 1HB CYS 17 2HB CYS 17 4.866 6.242 4.082 96 2HB CYS 17 1HB CYS 17 3.295 6.845 4.603 97 H SER 18 H SER 18 1.827 6.424 5.680 98 HA SER 18 HA SER 18 0.838 5.675 8.345 99 1HB SER 18 2HB SER 18 2.423 7.772 8.414 100 2HB SER 18 1HB SER 18 1.037 8.618 7.731 101 HG SER 18 HG SER 18 0.097 8.514 9.608 102 H GLY 19 H GLY 19 -1.212 5.053 7.776 103 1HA GLY 19 2HA GLY 19 -3.451 5.357 7.075 104 2HA GLY 19 1HA GLY 19 -3.022 6.972 6.513 105 H TYR 20 H TYR 20 -1.645 3.794 5.625 106 HA TYR 20 HA TYR 20 -2.708 4.123 2.848 107 1HB TYR 20 2HB TYR 20 0.188 3.961 3.746 108 2HB TYR 20 1HB TYR 20 -0.299 3.582 2.096 109 HD1 TYR 20 1HD TYR 20 -2.070 5.438 1.119 110 HD2 TYR 20 2HD TYR 20 0.944 6.117 4.098 111 HE1 TYR 20 1HE TYR 20 -2.082 7.856 0.579 112 HE2 TYR 20 2HE TYR 20 0.933 8.536 3.561 113 HH TYR 20 HH TYR 20 -1.083 10.154 2.419 114 H ASN 21 H ASN 21 -3.628 2.157 2.373 115 HA ASN 21 HA ASN 21 -2.738 -0.294 3.784 116 1HB ASN 21 2HB ASN 21 -5.125 0.200 3.589 117 2HB ASN 21 1HB ASN 21 -4.981 0.351 1.838 118 1HD2 ASN 21 1HD2 ASN 21 -5.447 -1.525 0.674 119 2HD2 ASN 21 2HD2 ASN 21 -5.430 -3.096 1.317 120 H CYS 22 H CYS 22 -1.960 -2.168 2.593 121 HA CYS 22 HA CYS 22 -0.513 -1.447 0.119 122 1HB CYS 22 2HB CYS 22 0.089 -2.943 2.305 123 2HB CYS 22 1HB CYS 22 -0.437 -4.207 1.193 124 H SER 23 H SER 23 -0.925 -2.311 -1.902 125 HA SER 23 HA SER 23 -3.462 -3.876 -2.203 126 1HB SER 23 2HB SER 23 -2.113 -1.651 -3.610 127 2HB SER 23 1HB SER 23 -2.826 -2.864 -4.668 128 HG SER 23 HG SER 23 -4.748 -2.240 -4.064 129 HA PRO 24 HA PRO 24 -0.738 -7.143 -3.566 130 1HB PRO 24 2HB PRO 24 -2.697 -8.961 -4.143 131 2HB PRO 24 1HB PRO 24 -2.162 -8.606 -2.489 132 1HG PRO 24 2HG PRO 24 -4.588 -7.688 -3.930 133 2HG PRO 24 1HG PRO 24 -4.373 -8.097 -2.222 134 1HD PRO 24 2HD PRO 24 -4.475 -5.530 -3.215 135 2HD PRO 24 1HD PRO 24 -3.713 -5.991 -1.677 136 H THR 25 H THR 25 -3.509 -5.961 -5.427 137 HA THR 25 HA THR 25 -2.717 -7.216 -7.939 138 HB THR 25 HB THR 25 -4.566 -4.874 -7.378 139 HG1 THR 25 1HG THR 25 -5.716 -6.301 -6.387 140 1HG2 THR 25 1HG2 THR 25 -5.444 -6.650 -9.450 141 2HG2 THR 25 2HG2 THR 25 -3.780 -6.172 -9.786 142 3HG2 THR 25 3HG2 THR 25 -5.026 -4.942 -9.573 143 H TRP 26 H TRP 26 -2.085 -4.124 -6.354 144 HA TRP 26 HA TRP 26 -0.750 -3.066 -8.805 145 1HB TRP 26 2HB TRP 26 -1.361 -1.762 -6.132 146 2HB TRP 26 1HB TRP 26 -0.866 -0.944 -7.611 147 HD1 TRP 26 HD TRP 26 -3.839 -2.772 -6.048 148 HE1 TRP 26 1HE TRP 26 -5.959 -2.231 -7.405 149 HE3 TRP 26 3HE TRP 26 -1.762 -0.207 -9.943 150 HZ2 TRP 26 2HZ TRP 26 -6.681 -0.887 -9.821 151 HZ3 TRP 26 3HZ TRP 26 -3.188 0.693 -11.755 152 HH2 TRP 26 HH TRP 26 -5.643 0.357 -11.701 153 H LYS 27 H LYS 27 -0.010 -4.478 -5.720 154 HA LYS 27 HA LYS 27 2.042 -5.067 -4.749 155 1HB LYS 27 2HB LYS 27 2.431 -5.220 -7.399 156 2HB LYS 27 1HB LYS 27 3.563 -3.916 -7.039 157 1HG LYS 27 2HG LYS 27 4.830 -5.916 -6.815 158 2HG LYS 27 1HG LYS 27 4.458 -5.417 -5.164 159 1HD LYS 27 2HD LYS 27 2.601 -6.994 -5.061 160 2HD LYS 27 1HD LYS 27 2.849 -7.439 -6.751 161 1HE LYS 27 2HE LYS 27 5.300 -8.007 -5.945 162 2HE LYS 27 1HE LYS 27 4.528 -8.123 -4.352 163 1HZ LYS 27 1HZ LYS 27 2.870 -9.604 -5.290 164 2HZ LYS 27 2HZ LYS 27 4.426 -10.240 -5.539 165 3HZ LYS 27 3HZ LYS 27 3.594 -9.494 -6.821 166 H TRP 28 H TRP 28 0.889 -2.350 -4.308 167 HA TRP 28 HA TRP 28 3.254 -1.198 -3.038 168 1HB TRP 28 2HB TRP 28 3.198 0.932 -4.236 169 2HB TRP 28 1HB TRP 28 3.466 -0.388 -5.360 170 HD1 TRP 28 HD TRP 28 0.201 1.224 -3.970 171 HE1 TRP 28 1HE TRP 28 -1.300 1.791 -5.986 172 HE3 TRP 28 3HE TRP 28 3.218 -0.313 -7.775 173 HZ2 TRP 28 2HZ TRP 28 -1.225 1.624 -8.839 174 HZ3 TRP 28 3HZ TRP 28 2.492 -0.093 -10.133 175 HH2 TRP 28 HH TRP 28 0.273 0.873 -10.669 176 H CYS 29 H CYS 29 2.688 0.578 -1.577 177 HA CYS 29 HA CYS 29 0.167 0.167 -0.251 178 1HB CYS 29 2HB CYS 29 2.377 2.222 -0.036 179 2HB CYS 29 1HB CYS 29 0.990 2.212 1.049 180 H VAL 30 H VAL 30 -1.704 1.320 -0.348 181 HA VAL 30 HA VAL 30 -1.853 3.771 -2.068 182 HB VAL 30 HB VAL 30 -4.054 2.835 -2.867 183 1HG1 VAL 30 1HG1 VAL 30 -1.984 2.559 -4.196 184 2HG1 VAL 30 2HG1 VAL 30 -3.084 1.197 -4.404 185 3HG1 VAL 30 3HG1 VAL 30 -1.667 1.035 -3.366 186 1HG2 VAL 30 1HG2 VAL 30 -4.220 1.277 -0.819 187 2HG2 VAL 30 2HG2 VAL 30 -3.127 0.206 -1.696 188 3HG2 VAL 30 3HG2 VAL 30 -4.705 0.604 -2.375 189 H TYR 31 H TYR 31 -4.493 4.409 -1.622 190 HA TYR 31 HA TYR 31 -4.497 5.398 1.092 191 1HB TYR 31 2HB TYR 31 -5.658 6.298 -1.025 192 2HB TYR 31 1HB TYR 31 -6.881 5.055 -0.758 193 HD1 TYR 31 1HD TYR 31 -8.433 5.188 1.103 194 HD2 TYR 31 2HD TYR 31 -5.356 8.141 0.588 195 HE1 TYR 31 1HE TYR 31 -9.549 6.642 2.772 196 HE2 TYR 31 2HE TYR 31 -6.472 9.595 2.258 197 HH TYR 31 HH TYR 31 -9.368 9.544 3.094 198 H ALA 32 H ALA 32 -5.487 4.532 2.929 199 HA ALA 32 HA ALA 32 -6.289 1.690 2.795 200 1HB ALA 32 1HB ALA 32 -5.948 3.658 5.081 201 2HB ALA 32 2HB ALA 32 -4.724 2.527 4.503 202 3HB ALA 32 3HB ALA 32 -6.193 1.921 5.266 203 H ARG 33 H ARG 33 -8.338 0.920 3.519 204 HA ARG 33 HA ARG 33 -10.496 2.997 3.772 205 1HB ARG 33 2HB ARG 33 -10.238 0.492 2.121 206 2HB ARG 33 1HB ARG 33 -11.839 1.040 2.615 207 1HG ARG 33 2HG ARG 33 -11.457 3.218 1.573 208 2HG ARG 33 1HG ARG 33 -9.812 2.750 1.146 209 1HD ARG 33 2HD ARG 33 -10.630 1.924 -0.801 210 2HD ARG 33 1HD ARG 33 -11.490 0.693 0.143 211 HE ARG 33 HE ARG 33 -13.103 2.907 0.427 212 1HH1 ARG 33 1HH2 ARG 33 -13.698 0.454 -1.334 213 2HH1 ARG 33 2HH2 ARG 33 -14.072 1.222 -2.840 214 1HH2 ARG 33 1HH1 ARG 33 -12.711 4.284 -1.923 215 2HH2 ARG 33 2HH1 ARG 33 -13.512 3.394 -3.175 216 HA PRO 34 HA PRO 34 -10.454 -0.080 7.322 217 1HB PRO 34 2HB PRO 34 -10.257 1.760 9.341 218 2HB PRO 34 1HB PRO 34 -8.844 1.035 8.551 219 1HG PRO 34 2HG PRO 34 -10.088 3.703 8.123 220 2HG PRO 34 1HG PRO 34 -8.378 3.244 8.144 221 1HD PRO 34 2HD PRO 34 -9.787 3.683 5.852 222 2HD PRO 34 1HD PRO 34 -8.391 2.586 5.954 Start of MODEL 2 1 1H GLY 1 1HT GLY 1 10.305 4.403 7.526 2 2H GLY 1 2HT GLY 1 11.763 4.932 6.833 3 3H GLY 1 3HT GLY 1 10.530 4.303 5.848 4 1HA GLY 1 2HA GLY 1 10.289 6.783 7.463 5 2HA GLY 1 1HA GLY 1 10.679 6.746 5.743 6 H CYS 2 H CYS 2 8.981 6.780 4.342 7 HA CYS 2 HA CYS 2 6.330 5.721 5.214 8 1HB CYS 2 2HB CYS 2 7.161 8.518 4.885 9 2HB CYS 2 1HB CYS 2 5.732 8.114 3.936 10 H GLY 3 H GLY 3 5.532 4.482 3.547 11 1HA GLY 3 2HA GLY 3 6.796 4.452 0.940 12 2HA GLY 3 1HA GLY 3 5.346 3.553 1.391 13 H GLY 4 H GLY 4 3.288 4.828 1.481 14 1HA GLY 4 2HA GLY 4 2.249 7.064 0.905 15 2HA GLY 4 1HA GLY 4 3.331 7.088 -0.486 16 H LEU 5 H LEU 5 1.591 7.153 -1.999 17 HA LEU 5 HA LEU 5 -0.343 4.896 -2.000 18 1HB LEU 5 2HB LEU 5 -0.592 7.546 -2.483 19 2HB LEU 5 1HB LEU 5 -0.316 6.972 -4.129 20 HG LEU 5 HG LEU 5 -2.284 5.513 -2.398 21 1HD1 LEU 5 1HD1 LEU 5 -2.811 8.114 -3.870 22 2HD1 LEU 5 2HD1 LEU 5 -2.932 7.852 -2.130 23 3HD1 LEU 5 3HD1 LEU 5 -4.065 7.056 -3.223 24 1HD2 LEU 5 1HD2 LEU 5 -1.586 5.806 -5.263 25 2HD2 LEU 5 2HD2 LEU 5 -3.312 5.718 -4.920 26 3HD2 LEU 5 3HD2 LEU 5 -2.243 4.415 -4.403 27 H MET 6 H MET 6 2.741 5.398 -3.219 28 HA MET 6 HA MET 6 2.332 3.324 -5.320 29 1HB MET 6 2HB MET 6 3.442 6.117 -5.624 30 2HB MET 6 1HB MET 6 3.931 4.834 -6.728 31 1HG MET 6 2HG MET 6 2.076 5.298 -7.921 32 2HG MET 6 1HG MET 6 1.150 4.598 -6.594 33 1HE MET 6 1HE MET 6 0.136 6.732 -8.653 34 2HE MET 6 2HE MET 6 -0.778 7.842 -7.636 35 3HE MET 6 3HE MET 6 -0.897 6.106 -7.361 36 H ALA 7 H ALA 7 3.457 3.050 -2.707 37 HA ALA 7 HA ALA 7 6.391 3.196 -2.869 38 1HB ALA 7 1HB ALA 7 4.821 1.669 -0.815 39 2HB ALA 7 2HB ALA 7 4.681 3.425 -0.864 40 3HB ALA 7 3HB ALA 7 6.253 2.673 -0.595 41 H GLY 8 H GLY 8 7.092 0.797 -1.619 42 1HA GLY 8 2HA GLY 8 6.484 -1.211 -3.756 43 2HA GLY 8 1HA GLY 8 8.040 -1.106 -2.930 44 H CYS 9 H CYS 9 5.215 -2.828 -3.012 45 HA CYS 9 HA CYS 9 5.290 -3.512 -0.097 46 1HB CYS 9 2HB CYS 9 3.238 -3.700 -2.305 47 2HB CYS 9 1HB CYS 9 3.035 -4.582 -0.793 48 H ASP 10 H ASP 10 7.394 -4.575 -1.582 49 HA ASP 10 HA ASP 10 6.760 -7.210 -2.666 50 1HB ASP 10 2HB ASP 10 9.309 -5.781 -1.845 51 2HB ASP 10 1HB ASP 10 9.297 -7.364 -2.622 52 H GLY 11 H GLY 11 5.651 -8.303 -0.933 53 1HA GLY 11 2HA GLY 11 6.515 -10.174 0.618 54 2HA GLY 11 1HA GLY 11 7.278 -8.855 1.510 55 H LYS 12 H LYS 12 4.914 -10.827 2.046 56 HA LYS 12 HA LYS 12 2.555 -9.173 2.356 57 1HB LYS 12 2HB LYS 12 1.693 -11.124 3.507 58 2HB LYS 12 1HB LYS 12 2.685 -11.688 2.163 59 1HG LYS 12 2HG LYS 12 4.574 -11.545 4.105 60 2HG LYS 12 1HG LYS 12 3.155 -11.911 5.087 61 1HD LYS 12 2HD LYS 12 2.680 -13.893 3.780 62 2HD LYS 12 1HD LYS 12 3.945 -13.485 2.620 63 1HE LYS 12 2HE LYS 12 4.486 -14.006 5.565 64 2HE LYS 12 1HE LYS 12 4.655 -15.236 4.298 65 1HZ LYS 12 1HZ LYS 12 6.018 -13.406 3.111 66 2HZ LYS 12 2HZ LYS 12 6.754 -14.301 4.354 67 3HZ LYS 12 3HZ LYS 12 6.175 -12.733 4.662 68 H SER 13 H SER 13 5.489 -9.099 4.055 69 HA SER 13 HA SER 13 4.146 -8.107 6.549 70 1HB SER 13 2HB SER 13 6.792 -9.459 5.978 71 2HB SER 13 1HB SER 13 6.467 -8.661 7.514 72 HG SER 13 HG SER 13 5.355 -10.974 6.405 73 H THR 14 H THR 14 4.685 -6.517 4.068 74 HA THR 14 HA THR 14 6.968 -4.769 4.716 75 HB THR 14 HB THR 14 6.265 -5.437 2.401 76 HG1 THR 14 1HG THR 14 7.395 -3.644 2.274 77 1HG2 THR 14 1HG2 THR 14 4.282 -4.195 1.450 78 2HG2 THR 14 2HG2 THR 14 3.847 -3.749 3.098 79 3HG2 THR 14 3HG2 THR 14 3.862 -5.446 2.618 80 H PHE 15 H PHE 15 6.333 -2.256 4.474 81 HA PHE 15 HA PHE 15 3.848 -1.648 6.008 82 1HB PHE 15 2HB PHE 15 5.038 -0.612 7.764 83 2HB PHE 15 1HB PHE 15 5.997 -2.049 7.427 84 HD1 PHE 15 1HD PHE 15 5.909 1.590 7.392 85 HD2 PHE 15 2HD PHE 15 8.086 -1.858 6.036 86 HE1 PHE 15 1HE PHE 15 7.880 3.018 6.924 87 HE2 PHE 15 2HE PHE 15 10.056 -0.427 5.568 88 HZ PHE 15 HZ PHE 15 9.953 2.010 6.012 89 H CYS 16 H CYS 16 3.095 0.511 5.691 90 HA CYS 16 HA CYS 16 4.417 1.988 3.433 91 1HB CYS 16 2HB CYS 16 1.525 2.025 4.372 92 2HB CYS 16 1HB CYS 16 2.155 2.713 2.876 93 H CYS 17 H CYS 17 2.522 4.283 4.072 94 HA CYS 17 HA CYS 17 4.245 5.561 6.110 95 1HB CYS 17 2HB CYS 17 3.604 6.568 3.869 96 2HB CYS 17 1HB CYS 17 1.958 6.708 4.485 97 H SER 18 H SER 18 0.714 5.424 5.534 98 HA SER 18 HA SER 18 0.312 5.375 8.510 99 1HB SER 18 2HB SER 18 -1.301 6.737 6.320 100 2HB SER 18 1HB SER 18 -1.722 6.742 8.031 101 HG SER 18 HG SER 18 0.190 8.170 6.658 102 H GLY 19 H GLY 19 -2.698 5.227 7.260 103 1HA GLY 19 2HA GLY 19 -2.988 2.390 7.694 104 2HA GLY 19 1HA GLY 19 -4.238 3.467 7.075 105 H TYR 20 H TYR 20 -1.936 4.184 4.984 106 HA TYR 20 HA TYR 20 -2.871 3.115 2.652 107 1HB TYR 20 2HB TYR 20 -0.117 3.717 3.693 108 2HB TYR 20 1HB TYR 20 -0.284 3.040 2.076 109 HD1 TYR 20 1HD TYR 20 -1.074 5.922 4.247 110 HD2 TYR 20 2HD TYR 20 -1.285 4.311 0.270 111 HE1 TYR 20 1HE TYR 20 -1.637 8.169 3.366 112 HE2 TYR 20 2HE TYR 20 -1.851 6.559 -0.609 113 HH TYR 20 HH TYR 20 -1.268 9.229 0.671 114 H ASN 21 H ASN 21 -3.475 0.986 2.270 115 HA ASN 21 HA ASN 21 -1.917 -1.252 3.437 116 1HB ASN 21 2HB ASN 21 -4.603 -0.722 2.523 117 2HB ASN 21 1HB ASN 21 -3.971 -2.124 1.663 118 1HD2 ASN 21 1HD2 ASN 21 -3.740 -4.084 2.837 119 2HD2 ASN 21 2HD2 ASN 21 -4.085 -4.230 4.493 120 H CYS 22 H CYS 22 -1.789 -3.196 1.586 121 HA CYS 22 HA CYS 22 -0.296 -1.942 -0.699 122 1HB CYS 22 2HB CYS 22 -0.031 -4.544 0.819 123 2HB CYS 22 1HB CYS 22 0.794 -4.271 -0.715 124 H SER 23 H SER 23 -0.705 -2.722 -2.827 125 HA SER 23 HA SER 23 -3.357 -3.957 -3.212 126 1HB SER 23 2HB SER 23 -2.136 -1.999 -4.503 127 2HB SER 23 1HB SER 23 -1.404 -3.320 -5.406 128 HG SER 23 HG SER 23 -4.157 -2.719 -5.078 129 HA PRO 24 HA PRO 24 -1.765 -8.034 -3.742 130 1HB PRO 24 2HB PRO 24 -3.851 -9.123 -5.143 131 2HB PRO 24 1HB PRO 24 -3.925 -8.776 -3.406 132 1HG PRO 24 2HG PRO 24 -5.033 -7.232 -5.692 133 2HG PRO 24 1HG PRO 24 -5.716 -7.518 -4.084 134 1HD PRO 24 2HD PRO 24 -4.495 -5.188 -4.825 135 2HD PRO 24 1HD PRO 24 -4.578 -5.772 -3.150 136 H THR 25 H THR 25 -2.706 -6.064 -6.504 137 HA THR 25 HA THR 25 -1.047 -7.817 -8.287 138 HB THR 25 HB THR 25 -3.363 -7.773 -8.968 139 HG1 THR 25 1HG THR 25 -2.247 -7.650 -10.782 140 1HG2 THR 25 1HG2 THR 25 -3.133 -4.911 -8.251 141 2HG2 THR 25 2HG2 THR 25 -4.515 -5.997 -8.125 142 3HG2 THR 25 3HG2 THR 25 -4.109 -5.263 -9.676 143 H TRP 26 H TRP 26 -1.506 -4.524 -7.112 144 HA TRP 26 HA TRP 26 0.303 -3.362 -9.127 145 1HB TRP 26 2HB TRP 26 -0.865 -2.188 -6.586 146 2HB TRP 26 1HB TRP 26 -0.176 -1.294 -7.930 147 HD1 TRP 26 HD TRP 26 -1.752 -3.568 -9.951 148 HE1 TRP 26 1HE TRP 26 -4.204 -3.022 -10.494 149 HE3 TRP 26 3HE TRP 26 -2.754 -0.200 -6.245 150 HZ2 TRP 26 2HZ TRP 26 -6.315 -1.358 -9.510 151 HZ3 TRP 26 3HZ TRP 26 -4.989 0.854 -6.077 152 HH2 TRP 26 HH TRP 26 -6.769 0.281 -7.703 153 H LYS 27 H LYS 27 0.630 -4.818 -5.993 154 HA LYS 27 HA LYS 27 2.492 -5.164 -4.610 155 1HB LYS 27 2HB LYS 27 3.566 -4.612 -7.334 156 2HB LYS 27 1HB LYS 27 4.720 -4.574 -6.002 157 1HG LYS 27 2HG LYS 27 2.775 -6.859 -6.340 158 2HG LYS 27 1HG LYS 27 4.339 -6.847 -7.154 159 1HD LYS 27 2HD LYS 27 5.472 -7.282 -5.237 160 2HD LYS 27 1HD LYS 27 4.490 -6.159 -4.296 161 1HE LYS 27 2HE LYS 27 2.642 -7.851 -4.273 162 2HE LYS 27 1HE LYS 27 3.725 -8.990 -5.094 163 1HZ LYS 27 1HZ LYS 27 4.278 -7.632 -2.506 164 2HZ LYS 27 2HZ LYS 27 5.330 -8.701 -3.305 165 3HZ LYS 27 3HZ LYS 27 3.850 -9.262 -2.691 166 H TRP 28 H TRP 28 1.261 -2.290 -4.904 167 HA TRP 28 HA TRP 28 3.525 -0.983 -3.459 168 1HB TRP 28 2HB TRP 28 3.154 1.093 -4.664 169 2HB TRP 28 1HB TRP 28 3.425 -0.197 -5.823 170 HD1 TRP 28 HD TRP 28 0.199 1.131 -4.083 171 HE1 TRP 28 1HE TRP 28 -1.567 1.518 -5.921 172 HE3 TRP 28 3HE TRP 28 2.912 -0.166 -8.203 173 HZ2 TRP 28 2HZ TRP 28 -1.796 1.318 -8.762 174 HZ3 TRP 28 3HZ TRP 28 1.901 -0.053 -10.462 175 HH2 TRP 28 HH TRP 28 -0.447 0.689 -10.748 176 H CYS 29 H CYS 29 2.815 0.743 -1.988 177 HA CYS 29 HA CYS 29 0.504 -0.007 -0.450 178 1HB CYS 29 2HB CYS 29 2.332 2.407 -0.469 179 2HB CYS 29 1HB CYS 29 1.103 2.141 0.765 180 H VAL 30 H VAL 30 -1.572 0.768 -0.519 181 HA VAL 30 HA VAL 30 -2.186 3.086 -2.324 182 HB VAL 30 HB VAL 30 -4.281 1.853 -2.855 183 1HG1 VAL 30 1HG1 VAL 30 -2.249 1.538 -4.241 184 2HG1 VAL 30 2HG1 VAL 30 -3.261 0.095 -4.215 185 3HG1 VAL 30 3HG1 VAL 30 -1.794 0.162 -3.238 186 1HG2 VAL 30 1HG2 VAL 30 -3.464 -0.745 -1.869 187 2HG2 VAL 30 2HG2 VAL 30 -4.977 0.118 -1.592 188 3HG2 VAL 30 3HG2 VAL 30 -3.597 0.394 -0.529 189 H TYR 31 H TYR 31 -4.250 4.221 -1.655 190 HA TYR 31 HA TYR 31 -4.269 4.902 1.123 191 1HB TYR 31 2HB TYR 31 -5.153 6.106 -1.029 192 2HB TYR 31 1HB TYR 31 -6.640 5.212 -0.716 193 HD1 TYR 31 1HD TYR 31 -4.111 7.034 1.392 194 HD2 TYR 31 2HD TYR 31 -8.253 6.459 0.405 195 HE1 TYR 31 1HE TYR 31 -4.752 8.697 3.114 196 HE2 TYR 31 2HE TYR 31 -8.893 8.123 2.129 197 HH TYR 31 HH TYR 31 -7.255 8.997 4.538 198 H ALA 32 H ALA 32 -5.653 4.259 2.819 199 HA ALA 32 HA ALA 32 -7.154 1.707 2.356 200 1HB ALA 32 1HB ALA 32 -6.737 1.317 4.714 201 2HB ALA 32 2HB ALA 32 -6.186 2.978 4.936 202 3HB ALA 32 3HB ALA 32 -5.224 1.849 3.981 203 H ARG 33 H ARG 33 -9.234 2.443 1.772 204 HA ARG 33 HA ARG 33 -10.883 3.565 3.914 205 1HB ARG 33 2HB ARG 33 -9.507 5.291 2.112 206 2HB ARG 33 1HB ARG 33 -11.216 5.352 1.682 207 1HG ARG 33 2HG ARG 33 -10.250 5.617 4.537 208 2HG ARG 33 1HG ARG 33 -10.464 7.008 3.474 209 1HD ARG 33 2HD ARG 33 -12.787 5.225 3.414 210 2HD ARG 33 1HD ARG 33 -12.465 5.865 5.038 211 HE ARG 33 HE ARG 33 -12.543 7.686 2.663 212 1HH1 ARG 33 1HH1 ARG 33 -15.068 6.833 4.322 213 2HH1 ARG 33 2HH1 ARG 33 -15.251 8.240 5.317 214 1HH2 ARG 33 1HH2 ARG 33 -12.083 9.480 4.603 215 2HH2 ARG 33 2HH2 ARG 33 -13.555 9.742 5.475 216 HA PRO 34 HA PRO 34 -13.585 1.076 1.368 217 1HB PRO 34 2HB PRO 34 -15.795 1.291 2.973 218 2HB PRO 34 1HB PRO 34 -14.441 0.201 3.329 219 1HG PRO 34 2HG PRO 34 -15.070 2.876 4.474 220 2HG PRO 34 1HG PRO 34 -14.427 1.430 5.269 221 1HD PRO 34 2HD PRO 34 -12.883 3.558 4.550 222 2HD PRO 34 1HD PRO 34 -12.269 1.893 4.660 Start of MODEL 3 1 1H GLY 1 1HT GLY 1 12.253 3.502 6.723 2 2H GLY 1 2HT GLY 1 11.112 4.739 6.968 3 3H GLY 1 3HT GLY 1 11.710 4.427 5.410 4 1HA GLY 1 2HA GLY 1 10.579 2.384 5.245 5 2HA GLY 1 1HA GLY 1 10.192 2.414 6.967 6 H CYS 2 H CYS 2 9.487 3.942 3.855 7 HA CYS 2 HA CYS 2 6.790 4.680 4.886 8 1HB CYS 2 2HB CYS 2 8.207 6.630 5.256 9 2HB CYS 2 1HB CYS 2 8.817 6.544 3.604 10 H GLY 3 H GLY 3 5.221 4.438 3.298 11 1HA GLY 3 2HA GLY 3 6.154 3.547 0.614 12 2HA GLY 3 1HA GLY 3 4.579 3.177 1.315 13 H GLY 4 H GLY 4 2.906 4.392 0.580 14 1HA GLY 4 2HA GLY 4 2.389 6.991 0.373 15 2HA GLY 4 1HA GLY 4 3.519 6.847 -0.973 16 H LEU 5 H LEU 5 2.157 7.104 -2.719 17 HA LEU 5 HA LEU 5 -0.341 5.479 -2.857 18 1HB LEU 5 2HB LEU 5 0.222 8.098 -3.409 19 2HB LEU 5 1HB LEU 5 0.391 7.383 -5.010 20 HG LEU 5 HG LEU 5 -1.937 8.209 -4.462 21 1HD1 LEU 5 1HD1 LEU 5 -1.259 6.256 -6.066 22 2HD1 LEU 5 2HD1 LEU 5 -2.958 6.471 -5.648 23 3HD1 LEU 5 3HD1 LEU 5 -2.002 5.227 -4.842 24 1HD2 LEU 5 1HD2 LEU 5 -1.468 6.697 -2.097 25 2HD2 LEU 5 2HD2 LEU 5 -2.768 5.893 -2.973 26 3HD2 LEU 5 3HD2 LEU 5 -2.922 7.593 -2.535 27 H MET 6 H MET 6 2.901 5.516 -4.054 28 HA MET 6 HA MET 6 2.307 3.190 -5.792 29 1HB MET 6 2HB MET 6 2.516 5.828 -6.760 30 2HB MET 6 1HB MET 6 4.056 5.068 -7.158 31 1HG MET 6 2HG MET 6 3.096 3.562 -8.600 32 2HG MET 6 1HG MET 6 1.597 3.468 -7.673 33 1HE MET 6 1HE MET 6 1.861 3.410 -10.607 34 2HE MET 6 2HE MET 6 0.888 4.656 -11.386 35 3HE MET 6 3HE MET 6 0.169 3.638 -10.140 36 H ALA 7 H ALA 7 3.670 3.279 -3.312 37 HA ALA 7 HA ALA 7 6.583 3.340 -3.840 38 1HB ALA 7 1HB ALA 7 5.682 2.283 -1.279 39 2HB ALA 7 2HB ALA 7 4.856 3.789 -1.682 40 3HB ALA 7 3HB ALA 7 6.616 3.741 -1.613 41 H GLY 8 H GLY 8 7.404 1.249 -2.182 42 1HA GLY 8 2HA GLY 8 6.523 -1.145 -3.747 43 2HA GLY 8 1HA GLY 8 8.146 -0.944 -3.084 44 H CYS 9 H CYS 9 4.927 -2.012 -2.418 45 HA CYS 9 HA CYS 9 5.605 -2.403 0.473 46 1HB CYS 9 2HB CYS 9 3.213 -2.451 0.811 47 2HB CYS 9 1HB CYS 9 3.567 -1.087 -0.245 48 H ASP 10 H ASP 10 6.744 -4.194 -1.497 49 HA ASP 10 HA ASP 10 5.202 -6.611 -1.813 50 1HB ASP 10 2HB ASP 10 7.258 -5.861 -3.095 51 2HB ASP 10 1HB ASP 10 8.214 -6.278 -1.674 52 H GLY 11 H GLY 11 5.736 -8.703 -0.702 53 1HA GLY 11 2HA GLY 11 6.860 -9.784 1.254 54 2HA GLY 11 1HA GLY 11 6.580 -8.285 2.140 55 H LYS 12 H LYS 12 3.822 -8.348 0.561 56 HA LYS 12 HA LYS 12 1.616 -8.978 1.090 57 1HB LYS 12 2HB LYS 12 3.074 -11.473 2.036 58 2HB LYS 12 1HB LYS 12 1.357 -11.369 1.657 59 1HG LYS 12 2HG LYS 12 1.824 -10.900 -0.667 60 2HG LYS 12 1HG LYS 12 3.552 -10.752 -0.340 61 1HD LYS 12 2HD LYS 12 2.337 -13.303 0.537 62 2HD LYS 12 1HD LYS 12 2.354 -13.051 -1.208 63 1HE LYS 12 2HE LYS 12 4.452 -14.050 -0.851 64 2HE LYS 12 1HE LYS 12 4.870 -12.328 -0.773 65 1HZ LYS 12 1HZ LYS 12 4.026 -13.881 1.611 66 2HZ LYS 12 2HZ LYS 12 4.758 -12.348 1.568 67 3HZ LYS 12 3HZ LYS 12 5.653 -13.732 1.155 68 H SER 13 H SER 13 3.579 -7.821 3.235 69 HA SER 13 HA SER 13 1.682 -7.767 5.429 70 1HB SER 13 2HB SER 13 2.926 -10.098 5.371 71 2HB SER 13 1HB SER 13 4.254 -9.188 6.083 72 HG SER 13 HG SER 13 1.684 -9.723 7.083 73 H THR 14 H THR 14 3.267 -5.849 3.857 74 HA THR 14 HA THR 14 5.277 -4.833 5.809 75 HB THR 14 HB THR 14 5.699 -5.152 3.306 76 HG1 THR 14 1HG THR 14 7.125 -3.850 4.250 77 1HG2 THR 14 1HG2 THR 14 3.770 -4.385 2.222 78 2HG2 THR 14 2HG2 THR 14 4.880 -3.030 2.017 79 3HG2 THR 14 3HG2 THR 14 3.632 -2.965 3.258 80 H PHE 15 H PHE 15 5.270 -2.283 5.872 81 HA PHE 15 HA PHE 15 2.456 -1.275 6.118 82 1HB PHE 15 2HB PHE 15 3.590 -1.944 8.287 83 2HB PHE 15 1HB PHE 15 4.775 -0.674 7.980 84 HD1 PHE 15 1HD PHE 15 4.339 1.526 8.678 85 HD2 PHE 15 2HD PHE 15 1.076 -1.232 8.222 86 HE1 PHE 15 1HE PHE 15 2.783 3.209 9.624 87 HE2 PHE 15 2HE PHE 15 -0.479 0.452 9.168 88 HZ PHE 15 HZ PHE 15 0.375 2.672 9.869 89 H CYS 16 H CYS 16 2.153 0.758 5.246 90 HA CYS 16 HA CYS 16 4.334 1.972 3.701 91 1HB CYS 16 2HB CYS 16 1.529 3.006 4.224 92 2HB CYS 16 1HB CYS 16 2.552 3.341 2.829 93 H CYS 17 H CYS 17 3.162 4.741 4.227 94 HA CYS 17 HA CYS 17 4.965 5.474 6.423 95 1HB CYS 17 2HB CYS 17 3.864 6.649 4.112 96 2HB CYS 17 1HB CYS 17 3.175 7.553 5.458 97 H SER 18 H SER 18 1.598 6.481 5.866 98 HA SER 18 HA SER 18 0.625 5.473 8.425 99 1HB SER 18 2HB SER 18 0.374 7.727 9.446 100 2HB SER 18 1HB SER 18 2.062 7.340 9.142 101 HG SER 18 HG SER 18 2.145 8.963 7.821 102 H GLY 19 H GLY 19 -1.383 4.863 7.673 103 1HA GLY 19 2HA GLY 19 -3.659 5.354 7.097 104 2HA GLY 19 1HA GLY 19 -3.148 6.942 6.524 105 H TYR 20 H TYR 20 -1.296 4.191 5.486 106 HA TYR 20 HA TYR 20 -2.677 4.218 2.821 107 1HB TYR 20 2HB TYR 20 0.219 4.538 3.609 108 2HB TYR 20 1HB TYR 20 -0.192 3.879 2.028 109 HD1 TYR 20 1HD TYR 20 -0.391 6.851 4.214 110 HD2 TYR 20 2HD TYR 20 -1.221 5.263 0.309 111 HE1 TYR 20 1HE TYR 20 -0.770 9.147 3.359 112 HE2 TYR 20 2HE TYR 20 -1.602 7.560 -0.541 113 HH TYR 20 HH TYR 20 -0.572 10.132 0.596 114 H ASN 21 H ASN 21 -2.980 2.141 1.967 115 HA ASN 21 HA ASN 21 -1.914 -0.147 3.578 116 1HB ASN 21 2HB ASN 21 -4.451 0.465 3.115 117 2HB ASN 21 1HB ASN 21 -4.143 -0.330 1.572 118 1HD2 ASN 21 1HD2 ASN 21 -4.296 -2.593 1.565 119 2HD2 ASN 21 2HD2 ASN 21 -4.327 -3.559 2.960 120 H CYS 22 H CYS 22 -1.711 -2.220 2.085 121 HA CYS 22 HA CYS 22 -0.189 -1.416 -0.372 122 1HB CYS 22 2HB CYS 22 1.239 -2.397 1.278 123 2HB CYS 22 1HB CYS 22 0.069 -3.666 1.637 124 H SER 23 H SER 23 -0.773 -2.372 -2.327 125 HA SER 23 HA SER 23 -3.256 -3.991 -2.361 126 1HB SER 23 2HB SER 23 -2.950 -2.045 -3.856 127 2HB SER 23 1HB SER 23 -1.518 -2.802 -4.549 128 HG SER 23 HG SER 23 -4.218 -3.395 -4.888 129 HA PRO 24 HA PRO 24 -0.919 -7.732 -2.828 130 1HB PRO 24 2HB PRO 24 -2.974 -9.363 -3.598 131 2HB PRO 24 1HB PRO 24 -2.746 -8.817 -1.925 132 1HG PRO 24 2HG PRO 24 -4.626 -7.816 -4.002 133 2HG PRO 24 1HG PRO 24 -4.871 -8.023 -2.261 134 1HD PRO 24 2HD PRO 24 -4.367 -5.615 -3.453 135 2HD PRO 24 1HD PRO 24 -3.964 -5.989 -1.762 136 H THR 25 H THR 25 -2.724 -6.218 -5.418 137 HA THR 25 HA THR 25 -1.466 -8.020 -7.446 138 HB THR 25 HB THR 25 -3.672 -5.958 -7.742 139 HG1 THR 25 1HG THR 25 -3.732 -8.722 -7.127 140 1HG2 THR 25 1HG2 THR 25 -4.197 -7.633 -9.685 141 2HG2 THR 25 2HG2 THR 25 -2.511 -8.110 -9.490 142 3HG2 THR 25 3HG2 THR 25 -2.913 -6.444 -9.901 143 H TRP 26 H TRP 26 -1.602 -4.657 -6.357 144 HA TRP 26 HA TRP 26 -0.044 -3.699 -8.684 145 1HB TRP 26 2HB TRP 26 -0.907 -2.265 -6.153 146 2HB TRP 26 1HB TRP 26 -0.391 -1.525 -7.661 147 HD1 TRP 26 HD TRP 26 -2.168 -3.831 -9.354 148 HE1 TRP 26 1HE TRP 26 -4.684 -3.344 -9.608 149 HE3 TRP 26 3HE TRP 26 -2.796 -0.433 -5.594 150 HZ2 TRP 26 2HZ TRP 26 -6.698 -1.728 -8.383 151 HZ3 TRP 26 3HZ TRP 26 -5.022 0.566 -5.163 152 HH2 TRP 26 HH TRP 26 -6.972 -0.077 -6.551 153 H LYS 27 H LYS 27 0.483 -4.648 -5.348 154 HA LYS 27 HA LYS 27 2.480 -5.045 -4.178 155 1HB LYS 27 2HB LYS 27 3.079 -5.471 -6.788 156 2HB LYS 27 1HB LYS 27 4.185 -4.142 -6.436 157 1HG LYS 27 2HG LYS 27 4.274 -5.957 -4.232 158 2HG LYS 27 1HG LYS 27 4.444 -6.898 -5.714 159 1HD LYS 27 2HD LYS 27 6.007 -4.513 -5.984 160 2HD LYS 27 1HD LYS 27 6.403 -5.265 -4.440 161 1HE LYS 27 2HE LYS 27 7.800 -6.571 -5.710 162 2HE LYS 27 1HE LYS 27 6.315 -7.456 -6.110 163 1HZ LYS 27 1HZ LYS 27 5.951 -5.985 -7.973 164 2HZ LYS 27 2HZ LYS 27 7.490 -6.689 -8.109 165 3HZ LYS 27 3HZ LYS 27 7.333 -5.081 -7.584 166 H TRP 28 H TRP 28 1.332 -2.084 -4.942 167 HA TRP 28 HA TRP 28 3.619 -0.724 -3.564 168 1HB TRP 28 2HB TRP 28 3.159 1.258 -4.918 169 2HB TRP 28 1HB TRP 28 3.439 -0.121 -5.967 170 HD1 TRP 28 HD TRP 28 0.247 1.325 -4.269 171 HE1 TRP 28 1HE TRP 28 -1.591 1.481 -6.067 172 HE3 TRP 28 3HE TRP 28 2.820 -0.420 -8.313 173 HZ2 TRP 28 2HZ TRP 28 -1.927 0.943 -8.852 174 HZ3 TRP 28 3HZ TRP 28 1.719 -0.588 -10.527 175 HH2 TRP 28 HH TRP 28 -0.649 0.093 -10.803 176 H CYS 29 H CYS 29 2.921 1.171 -2.230 177 HA CYS 29 HA CYS 29 0.592 0.494 -0.631 178 1HB CYS 29 2HB CYS 29 2.679 2.658 -0.667 179 2HB CYS 29 1HB CYS 29 1.289 2.798 0.406 180 H VAL 30 H VAL 30 -1.346 1.633 -0.436 181 HA VAL 30 HA VAL 30 -1.898 3.878 -2.329 182 HB VAL 30 HB VAL 30 -3.998 2.741 -2.980 183 1HG1 VAL 30 1HG1 VAL 30 -1.787 0.715 -3.286 184 2HG1 VAL 30 2HG1 VAL 30 -1.732 2.270 -4.118 185 3HG1 VAL 30 3HG1 VAL 30 -3.052 1.146 -4.436 186 1HG2 VAL 30 1HG2 VAL 30 -4.466 1.486 -0.952 187 2HG2 VAL 30 2HG2 VAL 30 -2.990 0.543 -1.145 188 3HG2 VAL 30 3HG2 VAL 30 -4.318 0.344 -2.287 189 H TYR 31 H TYR 31 -4.440 4.498 -1.681 190 HA TYR 31 HA TYR 31 -4.272 5.508 1.013 191 1HB TYR 31 2HB TYR 31 -5.554 6.454 -0.966 192 2HB TYR 31 1HB TYR 31 -6.743 5.174 -0.714 193 HD1 TYR 31 1HD TYR 31 -8.405 5.368 0.961 194 HD2 TYR 31 2HD TYR 31 -5.027 8.022 0.979 195 HE1 TYR 31 1HE TYR 31 -9.455 6.692 2.774 196 HE2 TYR 31 2HE TYR 31 -6.079 9.347 2.791 197 HH TYR 31 HH TYR 31 -8.968 9.516 3.507 198 H ALA 32 H ALA 32 -4.906 4.563 2.912 199 HA ALA 32 HA ALA 32 -5.959 1.800 2.854 200 1HB ALA 32 1HB ALA 32 -4.074 3.041 4.324 201 2HB ALA 32 2HB ALA 32 -4.996 1.672 4.950 202 3HB ALA 32 3HB ALA 32 -5.465 3.321 5.374 203 H ARG 33 H ARG 33 -8.077 1.295 3.314 204 HA ARG 33 HA ARG 33 -10.057 3.402 3.640 205 1HB ARG 33 2HB ARG 33 -10.326 1.202 2.427 206 2HB ARG 33 1HB ARG 33 -10.322 0.399 3.999 207 1HG ARG 33 2HG ARG 33 -12.284 1.679 4.698 208 2HG ARG 33 1HG ARG 33 -12.270 2.573 3.177 209 1HD ARG 33 2HD ARG 33 -12.415 -0.439 3.140 210 2HD ARG 33 1HD ARG 33 -13.883 0.528 3.380 211 HE ARG 33 HE ARG 33 -12.989 1.804 1.254 212 1HH1 ARG 33 1HH1 ARG 33 -10.854 -0.408 0.979 213 2HH1 ARG 33 2HH1 ARG 33 -11.580 -1.397 -0.242 214 1HH2 ARG 33 1HH2 ARG 33 -14.726 0.041 0.089 215 2HH2 ARG 33 2HH2 ARG 33 -13.778 -1.143 -0.748 216 HA PRO 34 HA PRO 34 -9.474 3.338 8.095 217 1HB PRO 34 2HB PRO 34 -10.923 5.602 8.591 218 2HB PRO 34 1HB PRO 34 -9.252 5.637 7.999 219 1HG PRO 34 2HG PRO 34 -11.786 6.103 6.539 220 2HG PRO 34 1HG PRO 34 -10.188 6.818 6.291 221 1HD PRO 34 2HD PRO 34 -11.297 4.792 4.754 222 2HD PRO 34 1HD PRO 34 -9.571 5.198 4.836 Start of MODEL 4 1 1H GLY 1 1HT GLY 1 10.771 7.551 4.128 2 2H GLY 1 2HT GLY 1 10.843 5.854 4.180 3 3H GLY 1 3HT GLY 1 12.108 6.782 4.832 4 1HA GLY 1 2HA GLY 1 10.925 6.106 6.699 5 2HA GLY 1 1HA GLY 1 10.367 7.751 6.395 6 H CYS 2 H CYS 2 8.506 7.689 4.566 7 HA CYS 2 HA CYS 2 6.468 5.737 5.572 8 1HB CYS 2 2HB CYS 2 6.507 8.577 4.660 9 2HB CYS 2 1HB CYS 2 5.055 7.646 4.294 10 H GLY 3 H GLY 3 4.986 4.819 3.956 11 1HA GLY 3 2HA GLY 3 6.328 3.998 1.521 12 2HA GLY 3 1HA GLY 3 4.665 3.605 1.962 13 H GLY 4 H GLY 4 2.983 4.987 1.278 14 1HA GLY 4 2HA GLY 4 2.723 7.465 0.384 15 2HA GLY 4 1HA GLY 4 3.740 6.844 -0.916 16 H LEU 5 H LEU 5 1.898 7.320 -2.347 17 HA LEU 5 HA LEU 5 -0.492 5.582 -2.044 18 1HB LEU 5 2HB LEU 5 -0.114 8.162 -2.846 19 2HB LEU 5 1HB LEU 5 -0.144 7.338 -4.406 20 HG LEU 5 HG LEU 5 -2.223 6.444 -2.511 21 1HD1 LEU 5 1HD1 LEU 5 -2.718 9.088 -3.837 22 2HD1 LEU 5 2HD1 LEU 5 -1.880 9.058 -2.286 23 3HD1 LEU 5 3HD1 LEU 5 -3.503 8.383 -2.424 24 1HD2 LEU 5 1HD2 LEU 5 -3.398 6.086 -4.464 25 2HD2 LEU 5 2HD2 LEU 5 -1.767 6.090 -5.134 26 3HD2 LEU 5 3HD2 LEU 5 -2.764 7.540 -5.236 27 H MET 6 H MET 6 2.568 5.325 -3.435 28 HA MET 6 HA MET 6 1.704 3.063 -5.142 29 1HB MET 6 2HB MET 6 2.703 5.710 -6.045 30 2HB MET 6 1HB MET 6 3.450 4.316 -6.826 31 1HG MET 6 2HG MET 6 1.034 3.452 -7.156 32 2HG MET 6 1HG MET 6 0.539 5.103 -6.785 33 1HE MET 6 1HE MET 6 0.059 3.470 -9.679 34 2HE MET 6 2HE MET 6 0.058 4.983 -10.583 35 3HE MET 6 3HE MET 6 -0.665 4.924 -8.978 36 H ALA 7 H ALA 7 3.310 3.484 -2.617 37 HA ALA 7 HA ALA 7 6.126 3.130 -3.245 38 1HB ALA 7 1HB ALA 7 4.595 3.782 -1.053 39 2HB ALA 7 2HB ALA 7 6.310 3.375 -0.987 40 3HB ALA 7 3HB ALA 7 5.096 2.136 -0.662 41 H GLY 8 H GLY 8 7.125 1.261 -3.860 42 1HA GLY 8 2HA GLY 8 5.749 -1.166 -4.386 43 2HA GLY 8 1HA GLY 8 7.502 -1.016 -4.273 44 H CYS 9 H CYS 9 4.996 -2.676 -2.994 45 HA CYS 9 HA CYS 9 5.767 -2.632 -0.154 46 1HB CYS 9 2HB CYS 9 3.839 -4.251 -1.845 47 2HB CYS 9 1HB CYS 9 4.014 -4.478 -0.106 48 H ASP 10 H ASP 10 5.631 -5.202 -2.638 49 HA ASP 10 HA ASP 10 6.900 -7.172 -2.901 50 1HB ASP 10 2HB ASP 10 8.468 -5.166 -3.316 51 2HB ASP 10 1HB ASP 10 9.124 -5.501 -1.713 52 H GLY 11 H GLY 11 5.641 -8.157 -1.057 53 1HA GLY 11 2HA GLY 11 6.650 -9.875 0.590 54 2HA GLY 11 1HA GLY 11 7.277 -8.451 1.423 55 H LYS 12 H LYS 12 5.193 -10.572 2.170 56 HA LYS 12 HA LYS 12 2.678 -9.081 2.386 57 1HB LYS 12 2HB LYS 12 1.890 -11.097 3.415 58 2HB LYS 12 1HB LYS 12 3.014 -11.604 2.157 59 1HG LYS 12 2HG LYS 12 4.582 -11.187 4.473 60 2HG LYS 12 1HG LYS 12 3.154 -12.075 5.004 61 1HD LYS 12 2HD LYS 12 3.634 -13.916 3.682 62 2HD LYS 12 1HD LYS 12 4.523 -12.961 2.494 63 1HE LYS 12 2HE LYS 12 5.614 -13.196 5.291 64 2HE LYS 12 1HE LYS 12 5.867 -14.519 4.136 65 1HZ LYS 12 1HZ LYS 12 7.638 -12.899 3.928 66 2HZ LYS 12 2HZ LYS 12 6.512 -11.650 3.685 67 3HZ LYS 12 3HZ LYS 12 6.682 -12.882 2.526 68 H SER 13 H SER 13 5.567 -8.672 3.971 69 HA SER 13 HA SER 13 4.214 -7.856 6.524 70 1HB SER 13 2HB SER 13 6.318 -9.694 6.010 71 2HB SER 13 1HB SER 13 7.059 -8.290 6.774 72 HG SER 13 HG SER 13 5.827 -8.585 8.533 73 H THR 14 H THR 14 4.899 -6.348 3.908 74 HA THR 14 HA THR 14 7.035 -4.485 4.568 75 HB THR 14 HB THR 14 6.282 -5.090 2.268 76 HG1 THR 14 1HG THR 14 5.750 -2.352 2.681 77 1HG2 THR 14 1HG2 THR 14 4.033 -3.360 2.011 78 2HG2 THR 14 2HG2 THR 14 3.717 -4.445 3.364 79 3HG2 THR 14 3HG2 THR 14 4.095 -5.106 1.774 80 H PHE 15 H PHE 15 6.576 -2.088 4.833 81 HA PHE 15 HA PHE 15 4.038 -1.613 6.364 82 1HB PHE 15 2HB PHE 15 6.890 -1.367 7.086 83 2HB PHE 15 1HB PHE 15 5.913 0.039 7.512 84 HD1 PHE 15 1HD PHE 15 7.050 -3.028 8.700 85 HD2 PHE 15 2HD PHE 15 3.467 -0.665 8.490 86 HE1 PHE 15 1HE PHE 15 6.122 -4.258 10.643 87 HE2 PHE 15 2HE PHE 15 2.541 -1.897 10.432 88 HZ PHE 15 HZ PHE 15 3.868 -3.694 11.509 89 H CYS 16 H CYS 16 3.166 0.491 6.192 90 HA CYS 16 HA CYS 16 4.323 2.199 4.009 91 1HB CYS 16 2HB CYS 16 1.910 0.898 4.131 92 2HB CYS 16 1HB CYS 16 1.476 2.477 4.786 93 H CYS 17 H CYS 17 2.389 4.362 4.730 94 HA CYS 17 HA CYS 17 3.939 5.518 6.973 95 1HB CYS 17 2HB CYS 17 3.345 6.605 4.698 96 2HB CYS 17 1HB CYS 17 1.734 6.828 5.377 97 H SER 18 H SER 18 0.460 5.732 6.183 98 HA SER 18 HA SER 18 -0.447 4.485 8.635 99 1HB SER 18 2HB SER 18 -1.258 6.685 9.640 100 2HB SER 18 1HB SER 18 0.486 6.451 9.672 101 HG SER 18 HG SER 18 -1.036 8.291 8.322 102 H GLY 19 H GLY 19 -1.928 3.494 7.139 103 1HA GLY 19 2HA GLY 19 -4.389 3.749 6.706 104 2HA GLY 19 1HA GLY 19 -4.012 5.344 6.048 105 H TYR 20 H TYR 20 -1.593 4.508 4.655 106 HA TYR 20 HA TYR 20 -2.762 3.599 2.167 107 1HB TYR 20 2HB TYR 20 0.048 4.028 3.214 108 2HB TYR 20 1HB TYR 20 -0.262 3.502 1.560 109 HD1 TYR 20 1HD TYR 20 0.267 6.318 3.568 110 HD2 TYR 20 2HD TYR 20 -2.199 4.935 0.337 111 HE1 TYR 20 1HE TYR 20 -0.175 8.664 2.900 112 HE2 TYR 20 2HE TYR 20 -2.643 7.278 -0.330 113 HH TYR 20 HH TYR 20 -2.353 9.784 1.461 114 H ASN 21 H ASN 21 -3.161 1.495 1.595 115 HA ASN 21 HA ASN 21 -1.807 -0.696 3.129 116 1HB ASN 21 2HB ASN 21 -4.470 -0.263 1.828 117 2HB ASN 21 1HB ASN 21 -3.848 -1.913 1.887 118 1HD2 ASN 21 1HD2 ASN 21 -4.735 -2.959 3.672 119 2HD2 ASN 21 2HD2 ASN 21 -4.945 -2.264 5.206 120 H CYS 22 H CYS 22 -1.348 -2.706 1.755 121 HA CYS 22 HA CYS 22 -0.007 -1.872 -0.748 122 1HB CYS 22 2HB CYS 22 -0.073 -4.335 0.997 123 2HB CYS 22 1HB CYS 22 0.719 -4.357 -0.578 124 H SER 23 H SER 23 -0.798 -2.287 -2.762 125 HA SER 23 HA SER 23 -3.466 -3.295 -3.194 126 1HB SER 23 2HB SER 23 -2.620 -3.190 -5.625 127 2HB SER 23 1HB SER 23 -2.523 -1.691 -4.706 128 HG SER 23 HG SER 23 -0.392 -3.549 -4.816 129 HA PRO 24 HA PRO 24 -2.536 -7.617 -3.314 130 1HB PRO 24 2HB PRO 24 -4.770 -8.487 -4.631 131 2HB PRO 24 1HB PRO 24 -4.783 -7.972 -2.932 132 1HG PRO 24 2HG PRO 24 -5.646 -6.496 -5.364 133 2HG PRO 24 1HG PRO 24 -6.355 -6.514 -3.743 134 1HD PRO 24 2HD PRO 24 -4.780 -4.491 -4.700 135 2HD PRO 24 1HD PRO 24 -4.959 -4.880 -2.976 136 H THR 25 H THR 25 -3.032 -5.739 -6.237 137 HA THR 25 HA THR 25 -1.751 -7.943 -7.822 138 HB THR 25 HB THR 25 -3.690 -5.799 -8.739 139 HG1 THR 25 1HG THR 25 -5.077 -7.093 -7.855 140 1HG2 THR 25 1HG2 THR 25 -2.265 -8.079 -10.078 141 2HG2 THR 25 2HG2 THR 25 -2.525 -6.433 -10.659 142 3HG2 THR 25 3HG2 THR 25 -3.858 -7.588 -10.656 143 H TRP 26 H TRP 26 -1.847 -4.432 -7.254 144 HA TRP 26 HA TRP 26 0.167 -3.855 -9.297 145 1HB TRP 26 2HB TRP 26 -0.914 -2.210 -6.991 146 2HB TRP 26 1HB TRP 26 0.007 -1.585 -8.349 147 HD1 TRP 26 HD TRP 26 -1.821 -3.941 -10.138 148 HE1 TRP 26 1HE TRP 26 -4.070 -3.064 -11.022 149 HE3 TRP 26 3HE TRP 26 -2.387 0.189 -7.191 150 HZ2 TRP 26 2HZ TRP 26 -5.872 -0.896 -10.558 151 HZ3 TRP 26 3HZ TRP 26 -4.378 1.644 -7.435 152 HH2 TRP 26 HH TRP 26 -6.121 1.106 -9.113 153 H LYS 27 H LYS 27 0.340 -5.039 -6.074 154 HA LYS 27 HA LYS 27 2.185 -5.565 -4.720 155 1HB LYS 27 2HB LYS 27 3.004 -5.986 -7.179 156 2HB LYS 27 1HB LYS 27 3.986 -4.549 -6.901 157 1HG LYS 27 2HG LYS 27 5.365 -6.374 -6.248 158 2HG LYS 27 1HG LYS 27 4.765 -5.690 -4.737 159 1HD LYS 27 2HD LYS 27 4.301 -7.920 -4.349 160 2HD LYS 27 1HD LYS 27 2.799 -7.447 -5.142 161 1HE LYS 27 2HE LYS 27 3.628 -8.273 -7.296 162 2HE LYS 27 1HE LYS 27 5.192 -8.677 -6.561 163 1HZ LYS 27 1HZ LYS 27 3.832 -10.632 -6.541 164 2HZ LYS 27 2HZ LYS 27 2.535 -9.794 -5.833 165 3HZ LYS 27 3HZ LYS 27 3.958 -10.071 -4.946 166 H TRP 28 H TRP 28 1.262 -2.468 -5.257 167 HA TRP 28 HA TRP 28 3.497 -1.432 -3.556 168 1HB TRP 28 2HB TRP 28 3.402 0.679 -4.790 169 2HB TRP 28 1HB TRP 28 3.705 -0.656 -5.891 170 HD1 TRP 28 HD TRP 28 0.417 0.924 -4.527 171 HE1 TRP 28 1HE TRP 28 -1.115 1.396 -6.541 172 HE3 TRP 28 3HE TRP 28 3.424 -0.692 -8.317 173 HZ2 TRP 28 2HZ TRP 28 -1.079 1.119 -9.384 174 HZ3 TRP 28 3HZ TRP 28 2.651 -0.581 -10.668 175 HH2 TRP 28 HH TRP 28 0.405 0.322 -11.207 176 H CYS 29 H CYS 29 2.859 0.511 -2.257 177 HA CYS 29 HA CYS 29 0.419 0.020 -0.799 178 1HB CYS 29 2HB CYS 29 2.833 1.286 -0.399 179 2HB CYS 29 1HB CYS 29 1.721 2.647 -0.508 180 H VAL 30 H VAL 30 -1.487 1.256 -0.739 181 HA VAL 30 HA VAL 30 -1.840 3.493 -2.682 182 HB VAL 30 HB VAL 30 -3.976 2.336 -3.423 183 1HG1 VAL 30 1HG1 VAL 30 -1.676 2.219 -4.599 184 2HG1 VAL 30 2HG1 VAL 30 -2.891 1.027 -5.059 185 3HG1 VAL 30 3HG1 VAL 30 -1.587 0.578 -3.961 186 1HG2 VAL 30 1HG2 VAL 30 -4.485 0.157 -2.776 187 2HG2 VAL 30 2HG2 VAL 30 -3.781 0.783 -1.284 188 3HG2 VAL 30 3HG2 VAL 30 -2.812 -0.221 -2.362 189 H TYR 31 H TYR 31 -4.067 4.561 -2.243 190 HA TYR 31 HA TYR 31 -4.345 5.120 0.571 191 1HB TYR 31 2HB TYR 31 -4.928 6.729 -1.175 192 2HB TYR 31 1HB TYR 31 -6.156 5.634 -1.814 193 HD1 TYR 31 1HD TYR 31 -5.173 7.360 1.371 194 HD2 TYR 31 2HD TYR 31 -8.367 5.813 -1.051 195 HE1 TYR 31 1HE TYR 31 -6.829 8.259 2.980 196 HE2 TYR 31 2HE TYR 31 -10.022 6.716 0.559 197 HH TYR 31 HH TYR 31 -9.797 7.310 3.286 198 H ALA 32 H ALA 32 -5.595 4.106 2.103 199 HA ALA 32 HA ALA 32 -7.451 1.933 1.179 200 1HB ALA 32 1HB ALA 32 -5.246 1.626 2.631 201 2HB ALA 32 2HB ALA 32 -6.693 0.689 2.999 202 3HB ALA 32 3HB ALA 32 -6.308 2.124 3.947 203 H ARG 33 H ARG 33 -9.286 1.548 2.793 204 HA ARG 33 HA ARG 33 -11.187 2.329 3.947 205 1HB ARG 33 2HB ARG 33 -9.048 3.049 5.362 206 2HB ARG 33 1HB ARG 33 -9.583 4.669 4.914 207 1HG ARG 33 2HG ARG 33 -11.936 3.400 5.679 208 2HG ARG 33 1HG ARG 33 -10.747 2.796 6.833 209 1HD ARG 33 2HD ARG 33 -10.164 5.530 6.628 210 2HD ARG 33 1HD ARG 33 -11.937 5.452 6.658 211 HE ARG 33 HE ARG 33 -10.827 3.641 8.609 212 1HH1 ARG 33 1HH2 ARG 33 -9.239 5.979 9.366 213 2HH1 ARG 33 2HH2 ARG 33 -10.304 6.875 10.396 214 1HH2 ARG 33 1HH1 ARG 33 -13.164 5.220 9.323 215 2HH2 ARG 33 2HH1 ARG 33 -12.531 6.444 10.372 216 HA PRO 34 HA PRO 34 -11.893 5.456 0.615 217 1HB PRO 34 2HB PRO 34 -14.248 4.347 -0.244 218 2HB PRO 34 1HB PRO 34 -12.658 3.834 -0.844 219 1HG PRO 34 2HG PRO 34 -14.399 2.568 1.217 220 2HG PRO 34 1HG PRO 34 -13.429 1.813 -0.057 221 1HD PRO 34 2HD PRO 34 -12.629 1.910 2.532 222 2HD PRO 34 1HD PRO 34 -11.487 1.922 1.169 Start of MODEL 5 1 1H GLY 1 1HT GLY 1 9.872 6.047 7.588 2 2H GLY 1 2HT GLY 1 11.194 5.056 7.991 3 3H GLY 1 3HT GLY 1 9.609 4.548 8.336 4 1HA GLY 1 2HA GLY 1 10.801 4.905 5.640 5 2HA GLY 1 1HA GLY 1 10.398 3.371 6.411 6 H CYS 2 H CYS 2 8.950 6.409 5.247 7 HA CYS 2 HA CYS 2 6.247 5.181 5.246 8 1HB CYS 2 2HB CYS 2 6.303 7.404 6.055 9 2HB CYS 2 1HB CYS 2 7.435 7.922 4.806 10 H GLY 3 H GLY 3 5.340 4.338 3.389 11 1HA GLY 3 2HA GLY 3 6.893 4.453 0.882 12 2HA GLY 3 1HA GLY 3 5.465 3.456 1.173 13 H GLY 4 H GLY 4 3.352 4.679 1.347 14 1HA GLY 4 2HA GLY 4 2.308 6.964 0.905 15 2HA GLY 4 1HA GLY 4 3.375 7.041 -0.496 16 H LEU 5 H LEU 5 1.443 7.246 -1.846 17 HA LEU 5 HA LEU 5 -0.420 4.953 -1.970 18 1HB LEU 5 2HB LEU 5 -0.466 7.716 -2.535 19 2HB LEU 5 1HB LEU 5 -0.643 6.915 -4.098 20 HG LEU 5 HG LEU 5 -2.257 5.998 -1.725 21 1HD1 LEU 5 1HD1 LEU 5 -2.596 8.475 -3.356 22 2HD1 LEU 5 2HD1 LEU 5 -3.029 8.169 -1.675 23 3HD1 LEU 5 3HD1 LEU 5 -4.044 7.545 -2.975 24 1HD2 LEU 5 1HD2 LEU 5 -3.843 5.428 -3.620 25 2HD2 LEU 5 2HD2 LEU 5 -2.315 4.548 -3.646 26 3HD2 LEU 5 3HD2 LEU 5 -2.566 5.909 -4.738 27 H MET 6 H MET 6 2.638 5.605 -3.272 28 HA MET 6 HA MET 6 2.214 3.570 -5.407 29 1HB MET 6 2HB MET 6 2.347 6.357 -5.833 30 2HB MET 6 1HB MET 6 3.924 5.734 -6.319 31 1HG MET 6 2HG MET 6 2.886 4.121 -7.811 32 2HG MET 6 1HG MET 6 1.279 4.577 -7.245 33 1HE MET 6 1HE MET 6 0.245 5.367 -9.714 34 2HE MET 6 2HE MET 6 1.630 4.302 -9.943 35 3HE MET 6 3HE MET 6 1.487 5.767 -10.910 36 H ALA 7 H ALA 7 3.527 3.311 -2.870 37 HA ALA 7 HA ALA 7 6.434 3.568 -3.257 38 1HB ALA 7 1HB ALA 7 5.074 1.951 -1.121 39 2HB ALA 7 2HB ALA 7 4.903 3.705 -1.113 40 3HB ALA 7 3HB ALA 7 6.504 2.974 -0.994 41 H GLY 8 H GLY 8 7.209 1.123 -2.042 42 1HA GLY 8 2HA GLY 8 6.512 -0.857 -4.179 43 2HA GLY 8 1HA GLY 8 8.143 -0.704 -3.520 44 H CYS 9 H CYS 9 5.015 -2.105 -3.049 45 HA CYS 9 HA CYS 9 5.329 -2.796 -0.244 46 1HB CYS 9 2HB CYS 9 3.140 -2.605 -1.284 47 2HB CYS 9 1HB CYS 9 3.559 -3.831 -2.482 48 H ASP 10 H ASP 10 4.960 -5.162 -2.890 49 HA ASP 10 HA ASP 10 6.001 -7.255 -3.221 50 1HB ASP 10 2HB ASP 10 7.786 -5.344 -3.547 51 2HB ASP 10 1HB ASP 10 8.473 -5.985 -2.055 52 H GLY 11 H GLY 11 4.544 -7.589 -1.050 53 1HA GLY 11 2HA GLY 11 5.668 -9.567 0.519 54 2HA GLY 11 1HA GLY 11 6.062 -8.079 1.384 55 H LYS 12 H LYS 12 4.115 -10.368 1.944 56 HA LYS 12 HA LYS 12 1.437 -9.259 1.779 57 1HB LYS 12 2HB LYS 12 0.873 -11.215 3.096 58 2HB LYS 12 1HB LYS 12 2.105 -11.681 1.926 59 1HG LYS 12 2HG LYS 12 3.516 -10.769 4.196 60 2HG LYS 12 1HG LYS 12 2.217 -11.788 4.816 61 1HD LYS 12 2HD LYS 12 3.081 -13.686 3.888 62 2HD LYS 12 1HD LYS 12 3.633 -12.847 2.438 63 1HE LYS 12 2HE LYS 12 5.124 -11.901 4.735 64 2HE LYS 12 1HE LYS 12 5.232 -13.669 4.618 65 1HZ LYS 12 1HZ LYS 12 5.818 -13.481 2.305 66 2HZ LYS 12 2HZ LYS 12 6.890 -12.529 3.217 67 3HZ LYS 12 3HZ LYS 12 5.631 -11.795 2.342 68 H SER 13 H SER 13 4.092 -8.526 3.816 69 HA SER 13 HA SER 13 2.294 -7.029 5.663 70 1HB SER 13 2HB SER 13 3.103 -9.382 6.456 71 2HB SER 13 1HB SER 13 4.670 -8.605 6.657 72 HG SER 13 HG SER 13 3.917 -7.541 8.323 73 H THR 14 H THR 14 3.669 -5.850 3.568 74 HA THR 14 HA THR 14 6.345 -4.966 4.208 75 HB THR 14 HB THR 14 5.009 -5.017 1.977 76 HG1 THR 14 1HG THR 14 6.769 -4.024 1.485 77 1HG2 THR 14 1HG2 THR 14 4.181 -2.277 2.982 78 2HG2 THR 14 2HG2 THR 14 3.099 -3.667 2.898 79 3HG2 THR 14 3HG2 THR 14 3.787 -2.993 1.420 80 H PHE 15 H PHE 15 6.702 -2.433 4.385 81 HA PHE 15 HA PHE 15 4.922 -1.423 6.583 82 1HB PHE 15 2HB PHE 15 7.574 -2.026 6.665 83 2HB PHE 15 1HB PHE 15 7.660 -0.330 6.189 84 HD1 PHE 15 1HD PHE 15 5.943 1.249 7.541 85 HD2 PHE 15 2HD PHE 15 7.516 -2.496 8.943 86 HE1 PHE 15 1HE PHE 15 5.473 1.927 9.878 87 HE2 PHE 15 2HE PHE 15 7.046 -1.816 11.281 88 HZ PHE 15 HZ PHE 15 6.024 0.395 11.749 89 H CYS 16 H CYS 16 3.502 -0.043 5.517 90 HA CYS 16 HA CYS 16 4.442 1.732 3.345 91 1HB CYS 16 2HB CYS 16 1.769 1.409 4.764 92 2HB CYS 16 1HB CYS 16 2.029 2.325 3.281 93 H CYS 17 H CYS 17 2.578 3.919 4.208 94 HA CYS 17 HA CYS 17 4.484 5.415 5.842 95 1HB CYS 17 2HB CYS 17 2.788 6.067 3.877 96 2HB CYS 17 1HB CYS 17 1.724 6.389 5.245 97 H SER 18 H SER 18 1.026 4.596 6.277 98 HA SER 18 HA SER 18 1.452 4.050 9.140 99 1HB SER 18 2HB SER 18 -0.321 5.872 9.662 100 2HB SER 18 1HB SER 18 1.314 6.413 9.297 101 HG SER 18 HG SER 18 -0.217 7.588 8.100 102 H GLY 19 H GLY 19 -1.521 5.214 7.587 103 1HA GLY 19 2HA GLY 19 -2.856 2.677 8.270 104 2HA GLY 19 1HA GLY 19 -3.644 4.129 7.652 105 H TYR 20 H TYR 20 -1.608 4.334 5.440 106 HA TYR 20 HA TYR 20 -2.965 3.196 3.282 107 1HB TYR 20 2HB TYR 20 -0.156 4.042 3.874 108 2HB TYR 20 1HB TYR 20 -0.446 3.183 2.363 109 HD1 TYR 20 1HD TYR 20 -0.478 4.728 0.621 110 HD2 TYR 20 2HD TYR 20 -2.526 5.664 4.278 111 HE1 TYR 20 1HE TYR 20 -1.351 6.809 -0.399 112 HE2 TYR 20 2HE TYR 20 -3.404 7.742 3.254 113 HH TYR 20 HH TYR 20 -2.263 9.256 0.904 114 H ASN 21 H ASN 21 -3.339 1.082 2.719 115 HA ASN 21 HA ASN 21 -1.781 -1.097 3.986 116 1HB ASN 21 2HB ASN 21 -4.417 -0.720 3.346 117 2HB ASN 21 1HB ASN 21 -3.873 -1.664 1.961 118 1HD2 ASN 21 1HD2 ASN 21 -3.733 -3.910 2.274 119 2HD2 ASN 21 2HD2 ASN 21 -3.763 -4.673 3.790 120 H CYS 22 H CYS 22 -1.695 -3.039 2.073 121 HA CYS 22 HA CYS 22 0.016 -1.843 -0.077 122 1HB CYS 22 2HB CYS 22 1.428 -3.149 1.239 123 2HB CYS 22 1HB CYS 22 0.155 -4.299 1.640 124 H SER 23 H SER 23 -0.231 -2.672 -2.207 125 HA SER 23 HA SER 23 -2.754 -4.224 -2.675 126 1HB SER 23 2HB SER 23 -1.423 -1.884 -3.889 127 2HB SER 23 1HB SER 23 -2.060 -3.039 -5.051 128 HG SER 23 HG SER 23 -4.070 -2.874 -4.029 129 HA PRO 24 HA PRO 24 0.000 -7.368 -4.198 130 1HB PRO 24 2HB PRO 24 -1.909 -9.082 -5.140 131 2HB PRO 24 1HB PRO 24 -1.532 -8.904 -3.416 132 1HG PRO 24 2HG PRO 24 -3.808 -7.822 -4.976 133 2HG PRO 24 1HG PRO 24 -3.747 -8.370 -3.296 134 1HD PRO 24 2HD PRO 24 -3.731 -5.727 -4.100 135 2HD PRO 24 1HD PRO 24 -3.160 -6.318 -2.524 136 H THR 25 H THR 25 -2.763 -6.445 -6.273 137 HA THR 25 HA THR 25 -1.448 -7.199 -8.759 138 HB THR 25 HB THR 25 -3.876 -5.513 -8.058 139 HG1 THR 25 1HG THR 25 -3.662 -8.152 -9.073 140 1HG2 THR 25 1HG2 THR 25 -3.429 -4.810 -10.238 141 2HG2 THR 25 2HG2 THR 25 -4.466 -6.208 -10.518 142 3HG2 THR 25 3HG2 THR 25 -2.717 -6.357 -10.698 143 H TRP 26 H TRP 26 -1.441 -4.334 -6.757 144 HA TRP 26 HA TRP 26 -0.334 -2.663 -8.966 145 1HB TRP 26 2HB TRP 26 -1.124 -1.917 -6.132 146 2HB TRP 26 1HB TRP 26 -0.878 -0.820 -7.487 147 HD1 TRP 26 HD TRP 26 -3.342 -3.406 -6.126 148 HE1 TRP 26 1HE TRP 26 -5.579 -3.169 -7.372 149 HE3 TRP 26 3HE TRP 26 -2.007 -0.026 -9.715 150 HZ2 TRP 26 2HZ TRP 26 -6.671 -1.733 -9.585 151 HZ3 TRP 26 3HZ TRP 26 -3.668 0.760 -11.376 152 HH2 TRP 26 HH TRP 26 -5.996 -0.089 -11.317 153 H LYS 27 H LYS 27 0.670 -4.467 -6.193 154 HA LYS 27 HA LYS 27 2.754 -4.786 -5.178 155 1HB LYS 27 2HB LYS 27 3.243 -3.862 -7.948 156 2HB LYS 27 1HB LYS 27 4.628 -3.759 -6.863 157 1HG LYS 27 2HG LYS 27 2.946 -6.261 -7.034 158 2HG LYS 27 1HG LYS 27 4.294 -5.980 -8.135 159 1HD LYS 27 2HD LYS 27 5.886 -6.059 -6.419 160 2HD LYS 27 1HD LYS 27 4.701 -5.678 -5.170 161 1HE LYS 27 2HE LYS 27 4.366 -8.227 -6.728 162 2HE LYS 27 1HE LYS 27 5.571 -8.166 -5.428 163 1HZ LYS 27 1HZ LYS 27 2.698 -7.430 -5.203 164 2HZ LYS 27 2HZ LYS 27 3.847 -7.229 -3.966 165 3HZ LYS 27 3HZ LYS 27 3.443 -8.787 -4.510 166 H TRP 28 H TRP 28 1.301 -2.039 -4.819 167 HA TRP 28 HA TRP 28 3.621 -0.788 -3.453 168 1HB TRP 28 2HB TRP 28 3.180 1.395 -4.436 169 2HB TRP 28 1HB TRP 28 3.461 0.224 -5.713 170 HD1 TRP 28 HD TRP 28 0.236 1.292 -3.809 171 HE1 TRP 28 1HE TRP 28 -1.565 1.823 -5.569 172 HE3 TRP 28 3HE TRP 28 2.904 0.454 -8.080 173 HZ2 TRP 28 2HZ TRP 28 -1.840 1.893 -8.413 174 HZ3 TRP 28 3HZ TRP 28 1.849 0.763 -10.301 175 HH2 TRP 28 HH TRP 28 -0.517 1.481 -10.472 176 H CYS 29 H CYS 29 2.929 0.848 -1.831 177 HA CYS 29 HA CYS 29 0.658 -0.076 -0.309 178 1HB CYS 29 2HB CYS 29 2.481 2.338 -0.146 179 2HB CYS 29 1HB CYS 29 1.257 1.983 1.071 180 H VAL 30 H VAL 30 -1.409 0.746 -0.196 181 HA VAL 30 HA VAL 30 -2.079 3.100 -1.935 182 HB VAL 30 HB VAL 30 -4.206 1.886 -2.388 183 1HG1 VAL 30 1HG1 VAL 30 -1.875 1.479 -3.603 184 2HG1 VAL 30 2HG1 VAL 30 -3.294 0.520 -4.018 185 3HG1 VAL 30 3HG1 VAL 30 -2.072 -0.140 -2.932 186 1HG2 VAL 30 1HG2 VAL 30 -4.856 0.094 -1.170 187 2HG2 VAL 30 2HG2 VAL 30 -3.506 0.440 -0.091 188 3HG2 VAL 30 3HG2 VAL 30 -3.306 -0.711 -1.411 189 H TYR 31 H TYR 31 -4.266 4.079 -1.207 190 HA TYR 31 HA TYR 31 -4.129 4.929 1.521 191 1HB TYR 31 2HB TYR 31 -6.388 5.884 0.994 192 2HB TYR 31 1HB TYR 31 -5.199 6.218 -0.263 193 HD1 TYR 31 1HD TYR 31 -7.710 3.566 0.649 194 HD2 TYR 31 2HD TYR 31 -5.819 5.820 -2.478 195 HE1 TYR 31 1HE TYR 31 -9.168 2.467 -1.019 196 HE2 TYR 31 2HE TYR 31 -7.279 4.716 -4.151 197 HH TYR 31 HH TYR 31 -9.828 3.519 -3.862 198 H ALA 32 H ALA 32 -6.138 4.625 3.052 199 HA ALA 32 HA ALA 32 -7.112 1.794 2.941 200 1HB ALA 32 1HB ALA 32 -6.467 2.917 5.602 201 2HB ALA 32 2HB ALA 32 -5.078 2.686 4.542 202 3HB ALA 32 3HB ALA 32 -6.116 1.319 4.945 203 H ARG 33 H ARG 33 -8.686 3.918 2.113 204 HA ARG 33 HA ARG 33 -10.723 5.048 2.494 205 1HB ARG 33 2HB ARG 33 -11.067 2.480 2.783 206 2HB ARG 33 1HB ARG 33 -11.228 2.850 4.499 207 1HG ARG 33 2HG ARG 33 -12.954 4.616 3.797 208 2HG ARG 33 1HG ARG 33 -12.942 3.839 2.213 209 1HD ARG 33 2HD ARG 33 -13.250 1.647 3.785 210 2HD ARG 33 1HD ARG 33 -14.077 2.860 4.781 211 HE ARG 33 HE ARG 33 -14.722 2.734 1.874 212 1HH1 ARG 33 1HH2 ARG 33 -15.892 0.520 3.665 213 2HH1 ARG 33 2HH2 ARG 33 -17.448 1.191 4.028 214 1HH2 ARG 33 1HH1 ARG 33 -16.601 4.397 2.992 215 2HH2 ARG 33 2HH1 ARG 33 -17.848 3.390 3.646 216 HA PRO 34 HA PRO 34 -9.268 6.965 6.443 217 1HB PRO 34 2HB PRO 34 -9.226 9.529 5.486 218 2HB PRO 34 1HB PRO 34 -7.857 8.413 5.326 219 1HG PRO 34 2HG PRO 34 -9.902 9.198 3.318 220 2HG PRO 34 1HG PRO 34 -8.172 8.881 3.106 221 1HD PRO 34 2HD PRO 34 -10.141 7.098 2.447 222 2HD PRO 34 1HD PRO 34 -8.481 6.631 2.877 Start of MODEL 6 1 1H GLY 1 1HT GLY 1 11.715 5.604 7.506 2 2H GLY 1 2HT GLY 1 10.598 4.344 7.278 3 3H GLY 1 3HT GLY 1 10.095 5.817 7.961 4 1HA GLY 1 2HA GLY 1 10.862 6.876 5.783 5 2HA GLY 1 1HA GLY 1 10.820 5.227 5.159 6 H CYS 2 H CYS 2 9.071 6.113 3.738 7 HA CYS 2 HA CYS 2 6.424 5.653 4.978 8 1HB CYS 2 2HB CYS 2 6.801 7.999 5.425 9 2HB CYS 2 1HB CYS 2 7.339 8.280 3.771 10 H GLY 3 H GLY 3 4.998 4.793 3.471 11 1HA GLY 3 2HA GLY 3 6.030 4.293 0.754 12 2HA GLY 3 1HA GLY 3 4.576 3.587 1.457 13 H GLY 4 H GLY 4 2.753 4.289 0.460 14 1HA GLY 4 2HA GLY 4 1.752 6.844 0.301 15 2HA GLY 4 1HA GLY 4 2.759 6.738 -1.142 16 H LEU 5 H LEU 5 0.809 6.916 -2.446 17 HA LEU 5 HA LEU 5 -1.172 4.725 -2.281 18 1HB LEU 5 2HB LEU 5 -1.008 7.438 -3.237 19 2HB LEU 5 1HB LEU 5 -1.577 6.394 -4.542 20 HG LEU 5 HG LEU 5 -2.739 6.060 -1.796 21 1HD1 LEU 5 1HD1 LEU 5 -4.204 7.856 -1.991 22 2HD1 LEU 5 2HD1 LEU 5 -4.001 7.965 -3.740 23 3HD1 LEU 5 3HD1 LEU 5 -2.729 8.549 -2.666 24 1HD2 LEU 5 1HD2 LEU 5 -4.665 5.297 -3.073 25 2HD2 LEU 5 2HD2 LEU 5 -3.224 4.488 -3.690 26 3HD2 LEU 5 3HD2 LEU 5 -3.926 5.840 -4.580 27 H MET 6 H MET 6 1.814 5.216 -3.833 28 HA MET 6 HA MET 6 1.293 2.924 -5.651 29 1HB MET 6 2HB MET 6 0.992 5.389 -6.634 30 2HB MET 6 1HB MET 6 2.750 5.308 -6.734 31 1HG MET 6 2HG MET 6 1.614 2.835 -7.690 32 2HG MET 6 1HG MET 6 0.878 4.194 -8.539 33 1HE MET 6 1HE MET 6 2.950 3.414 -11.241 34 2HE MET 6 2HE MET 6 1.730 2.681 -10.202 35 3HE MET 6 3HE MET 6 3.368 2.034 -10.217 36 H ALA 7 H ALA 7 2.869 3.373 -3.151 37 HA ALA 7 HA ALA 7 5.695 3.392 -4.018 38 1HB ALA 7 1HB ALA 7 4.364 2.980 -1.320 39 2HB ALA 7 2HB ALA 7 4.897 4.532 -1.966 40 3HB ALA 7 3HB ALA 7 6.081 3.283 -1.582 41 H GLY 8 H GLY 8 6.644 1.529 -4.698 42 1HA GLY 8 2HA GLY 8 5.470 -1.052 -4.602 43 2HA GLY 8 1HA GLY 8 7.182 -0.746 -4.893 44 H CYS 9 H CYS 9 4.981 -2.095 -2.721 45 HA CYS 9 HA CYS 9 6.579 -1.682 -0.286 46 1HB CYS 9 2HB CYS 9 4.764 -2.774 0.768 47 2HB CYS 9 1HB CYS 9 4.015 -1.909 -0.567 48 H ASP 10 H ASP 10 6.032 -4.270 -2.651 49 HA ASP 10 HA ASP 10 7.133 -6.317 -3.011 50 1HB ASP 10 2HB ASP 10 8.934 -4.474 -3.109 51 2HB ASP 10 1HB ASP 10 9.403 -5.014 -1.497 52 H GLY 11 H GLY 11 5.509 -7.075 -1.219 53 1HA GLY 11 2HA GLY 11 6.077 -9.118 0.265 54 2HA GLY 11 1HA GLY 11 6.975 -7.944 1.229 55 H LYS 12 H LYS 12 4.324 -9.618 1.526 56 HA LYS 12 HA LYS 12 2.231 -7.651 1.939 57 1HB LYS 12 2HB LYS 12 1.035 -9.546 2.866 58 2HB LYS 12 1HB LYS 12 1.969 -10.119 1.486 59 1HG LYS 12 2HG LYS 12 3.793 -10.476 3.468 60 2HG LYS 12 1HG LYS 12 2.299 -10.717 4.374 61 1HD LYS 12 2HD LYS 12 2.852 -12.874 3.554 62 2HD LYS 12 1HD LYS 12 1.594 -12.292 2.463 63 1HE LYS 12 2HE LYS 12 3.273 -13.146 1.003 64 2HE LYS 12 1HE LYS 12 3.576 -11.398 1.013 65 1HZ LYS 12 1HZ LYS 12 4.852 -13.281 2.923 66 2HZ LYS 12 2HZ LYS 12 5.248 -11.649 2.655 67 3HZ LYS 12 3HZ LYS 12 5.579 -12.814 1.463 68 H SER 13 H SER 13 5.063 -8.288 3.703 69 HA SER 13 HA SER 13 3.840 -7.432 6.299 70 1HB SER 13 2HB SER 13 6.505 -8.697 5.572 71 2HB SER 13 1HB SER 13 6.007 -8.289 7.213 72 HG SER 13 HG SER 13 5.205 -10.348 5.549 73 H THR 14 H THR 14 4.459 -5.638 3.958 74 HA THR 14 HA THR 14 6.836 -4.088 4.649 75 HB THR 14 HB THR 14 5.845 -4.377 2.362 76 HG1 THR 14 1HG THR 14 5.729 -1.655 3.097 77 1HG2 THR 14 1HG2 THR 14 3.460 -3.741 3.669 78 2HG2 THR 14 2HG2 THR 14 3.685 -3.903 1.927 79 3HG2 THR 14 3HG2 THR 14 3.809 -2.318 2.689 80 H PHE 15 H PHE 15 6.691 -1.761 5.277 81 HA PHE 15 HA PHE 15 4.294 -1.163 6.986 82 1HB PHE 15 2HB PHE 15 6.874 -1.754 7.794 83 2HB PHE 15 1HB PHE 15 6.877 0.008 7.777 84 HD1 PHE 15 1HD PHE 15 6.147 1.111 9.691 85 HD2 PHE 15 2HD PHE 15 4.645 -2.825 8.842 86 HE1 PHE 15 1HE PHE 15 4.880 1.133 11.823 87 HE2 PHE 15 2HE PHE 15 3.378 -2.800 10.972 88 HZ PHE 15 HZ PHE 15 3.496 -0.823 12.463 89 H CYS 16 H CYS 16 3.298 0.304 5.557 90 HA CYS 16 HA CYS 16 4.832 2.366 4.148 91 1HB CYS 16 2HB CYS 16 1.894 1.718 4.522 92 2HB CYS 16 1HB CYS 16 2.456 3.053 3.513 93 H CYS 17 H CYS 17 2.987 4.564 4.497 94 HA CYS 17 HA CYS 17 4.124 5.827 6.835 95 1HB CYS 17 2HB CYS 17 2.657 6.499 4.481 96 2HB CYS 17 1HB CYS 17 1.779 7.170 5.854 97 H SER 18 H SER 18 0.640 5.733 6.198 98 HA SER 18 HA SER 18 -0.010 4.243 8.624 99 1HB SER 18 2HB SER 18 -1.111 6.294 9.673 100 2HB SER 18 1HB SER 18 0.647 6.299 9.683 101 HG SER 18 HG SER 18 0.595 8.007 8.467 102 H GLY 19 H GLY 19 -1.729 3.121 7.826 103 1HA GLY 19 2HA GLY 19 -3.984 2.864 7.111 104 2HA GLY 19 1HA GLY 19 -4.034 4.584 6.727 105 H TYR 20 H TYR 20 -1.458 2.458 5.576 106 HA TYR 20 HA TYR 20 -2.622 2.602 2.812 107 1HB TYR 20 2HB TYR 20 0.103 3.299 3.902 108 2HB TYR 20 1HB TYR 20 -0.073 2.807 2.219 109 HD1 TYR 20 1HD TYR 20 -0.955 5.371 4.728 110 HD2 TYR 20 2HD TYR 20 -1.258 4.188 0.612 111 HE1 TYR 20 1HE TYR 20 -1.742 7.647 4.132 112 HE2 TYR 20 2HE TYR 20 -2.043 6.461 0.015 113 HH TYR 20 HH TYR 20 -3.327 8.419 1.535 114 H ASN 21 H ASN 21 -2.968 0.511 2.144 115 HA ASN 21 HA ASN 21 -1.193 -1.654 3.211 116 1HB ASN 21 2HB ASN 21 -3.769 -1.553 3.524 117 2HB ASN 21 1HB ASN 21 -3.850 -1.994 1.817 118 1HD2 ASN 21 1HD2 ASN 21 -3.433 -4.185 1.260 119 2HD2 ASN 21 2HD2 ASN 21 -2.998 -5.373 2.392 120 H CYS 22 H CYS 22 -0.482 -3.318 1.680 121 HA CYS 22 HA CYS 22 0.086 -2.202 -1.001 122 1HB CYS 22 2HB CYS 22 1.678 -3.427 0.662 123 2HB CYS 22 1HB CYS 22 0.916 -4.900 0.060 124 H SER 23 H SER 23 -0.907 -2.893 -2.863 125 HA SER 23 HA SER 23 -3.214 -4.691 -2.679 126 1HB SER 23 2HB SER 23 -2.951 -2.566 -4.078 127 2HB SER 23 1HB SER 23 -1.902 -3.505 -5.136 128 HG SER 23 HG SER 23 -4.650 -3.644 -4.729 129 HA PRO 24 HA PRO 24 -0.974 -8.344 -3.787 130 1HB PRO 24 2HB PRO 24 -3.097 -9.894 -4.552 131 2HB PRO 24 1HB PRO 24 -2.721 -9.535 -2.855 132 1HG PRO 24 2HG PRO 24 -4.775 -8.329 -4.633 133 2HG PRO 24 1HG PRO 24 -4.858 -8.714 -2.908 134 1HD PRO 24 2HD PRO 24 -4.452 -6.194 -3.894 135 2HD PRO 24 1HD PRO 24 -3.910 -6.734 -2.289 136 H THR 25 H THR 25 -2.988 -6.567 -6.030 137 HA THR 25 HA THR 25 -1.892 -8.111 -8.344 138 HB THR 25 HB THR 25 -4.080 -6.017 -8.313 139 HG1 THR 25 1HG THR 25 -5.387 -7.467 -7.555 140 1HG2 THR 25 1HG2 THR 25 -4.750 -7.020 -10.394 141 2HG2 THR 25 2HG2 THR 25 -3.614 -8.353 -10.181 142 3HG2 THR 25 3HG2 THR 25 -3.014 -6.724 -10.496 143 H TRP 26 H TRP 26 -1.842 -4.935 -6.812 144 HA TRP 26 HA TRP 26 -0.469 -3.723 -9.152 145 1HB TRP 26 2HB TRP 26 -1.258 -2.541 -6.473 146 2HB TRP 26 1HB TRP 26 -0.784 -1.651 -7.912 147 HD1 TRP 26 HD TRP 26 -2.563 -3.690 -9.855 148 HE1 TRP 26 1HE TRP 26 -5.100 -3.250 -9.966 149 HE3 TRP 26 3HE TRP 26 -3.172 -0.948 -5.593 150 HZ2 TRP 26 2HZ TRP 26 -7.120 -1.909 -8.449 151 HZ3 TRP 26 3HZ TRP 26 -5.410 -0.102 -4.949 152 HH2 TRP 26 HH TRP 26 -7.383 -0.578 -6.372 153 H LYS 27 H LYS 27 0.316 -5.141 -6.073 154 HA LYS 27 HA LYS 27 2.386 -5.551 -5.043 155 1HB LYS 27 2HB LYS 27 2.833 -5.262 -7.840 156 2HB LYS 27 1HB LYS 27 4.160 -4.447 -7.015 157 1HG LYS 27 2HG LYS 27 3.229 -7.257 -6.352 158 2HG LYS 27 1HG LYS 27 4.573 -6.897 -7.434 159 1HD LYS 27 2HD LYS 27 4.810 -5.444 -4.920 160 2HD LYS 27 1HD LYS 27 4.720 -7.183 -4.656 161 1HE LYS 27 2HE LYS 27 6.465 -6.556 -6.910 162 2HE LYS 27 1HE LYS 27 7.009 -5.761 -5.421 163 1HZ LYS 27 1HZ LYS 27 7.873 -7.994 -5.477 164 2HZ LYS 27 2HZ LYS 27 6.324 -8.638 -5.741 165 3HZ LYS 27 3HZ LYS 27 6.697 -7.896 -4.258 166 H TRP 28 H TRP 28 1.110 -2.572 -5.270 167 HA TRP 28 HA TRP 28 3.457 -1.346 -3.874 168 1HB TRP 28 2HB TRP 28 2.977 0.776 -4.977 169 2HB TRP 28 1HB TRP 28 3.202 -0.474 -6.192 170 HD1 TRP 28 HD TRP 28 0.060 0.678 -4.199 171 HE1 TRP 28 1HE TRP 28 -1.838 1.081 -5.890 172 HE3 TRP 28 3HE TRP 28 2.522 -0.350 -8.550 173 HZ2 TRP 28 2HZ TRP 28 -2.260 0.987 -8.713 174 HZ3 TRP 28 3HZ TRP 28 1.348 -0.182 -10.726 175 HH2 TRP 28 HH TRP 28 -1.038 0.485 -10.813 176 H CYS 29 H CYS 29 2.776 0.478 -2.404 177 HA CYS 29 HA CYS 29 0.571 -0.380 -0.715 178 1HB CYS 29 2HB CYS 29 2.912 0.882 -0.328 179 2HB CYS 29 1HB CYS 29 1.863 2.295 -0.433 180 H VAL 30 H VAL 30 -1.447 0.579 -0.469 181 HA VAL 30 HA VAL 30 -2.143 2.869 -2.285 182 HB VAL 30 HB VAL 30 -4.287 1.707 -2.697 183 1HG1 VAL 30 1HG1 VAL 30 -2.541 -0.558 -3.289 184 2HG1 VAL 30 2HG1 VAL 30 -1.801 0.987 -3.707 185 3HG1 VAL 30 3HG1 VAL 30 -3.363 0.545 -4.391 186 1HG2 VAL 30 1HG2 VAL 30 -5.014 -0.001 -1.411 187 2HG2 VAL 30 2HG2 VAL 30 -3.631 0.296 -0.361 188 3HG2 VAL 30 3HG2 VAL 30 -3.515 -0.898 -1.652 189 H TYR 31 H TYR 31 -4.257 3.937 -1.494 190 HA TYR 31 HA TYR 31 -4.022 4.458 1.380 191 1HB TYR 31 2HB TYR 31 -4.510 6.111 -0.520 192 2HB TYR 31 1HB TYR 31 -6.136 5.433 -0.560 193 HD1 TYR 31 1HD TYR 31 -7.314 7.413 0.166 194 HD2 TYR 31 2HD TYR 31 -4.117 5.790 2.533 195 HE1 TYR 31 1HE TYR 31 -7.966 8.877 2.059 196 HE2 TYR 31 2HE TYR 31 -4.770 7.250 4.421 197 HH TYR 31 HH TYR 31 -7.245 8.440 5.057 198 H ALA 32 H ALA 32 -5.074 3.263 2.896 199 HA ALA 32 HA ALA 32 -7.307 1.483 2.109 200 1HB ALA 32 1HB ALA 32 -6.878 0.470 4.262 201 2HB ALA 32 2HB ALA 32 -5.959 1.877 4.799 202 3HB ALA 32 3HB ALA 32 -5.310 0.829 3.538 203 H ARG 33 H ARG 33 -8.569 3.634 1.707 204 HA ARG 33 HA ARG 33 -10.103 4.281 4.191 205 1HB ARG 33 2HB ARG 33 -8.179 5.916 3.034 206 2HB ARG 33 1HB ARG 33 -9.676 6.531 2.339 207 1HG ARG 33 2HG ARG 33 -9.304 6.054 5.307 208 2HG ARG 33 1HG ARG 33 -8.994 7.608 4.533 209 1HD ARG 33 2HD ARG 33 -11.652 6.172 4.251 210 2HD ARG 33 1HD ARG 33 -11.329 7.343 5.545 211 HE ARG 33 HE ARG 33 -10.885 8.102 2.683 212 1HH1 ARG 33 1HH1 ARG 33 -13.376 8.169 4.885 213 2HH1 ARG 33 2HH1 ARG 33 -13.568 9.891 4.911 214 1HH2 ARG 33 1HH2 ARG 33 -10.677 10.511 3.089 215 2HH2 ARG 33 2HH2 ARG 33 -12.040 11.216 3.892 216 HA PRO 34 HA PRO 34 -12.679 3.317 0.411 217 1HB PRO 34 2HB PRO 34 -14.209 1.365 1.575 218 2HB PRO 34 1HB PRO 34 -12.662 1.035 0.771 219 1HG PRO 34 2HG PRO 34 -13.270 1.285 3.672 220 2HG PRO 34 1HG PRO 34 -12.169 0.177 2.839 221 1HD PRO 34 2HD PRO 34 -11.342 2.412 4.171 222 2HD PRO 34 1HD PRO 34 -10.457 1.693 2.807 Start of MODEL 7 1 1H GLY 1 1HT GLY 1 11.719 9.738 3.926 2 2H GLY 1 2HT GLY 1 11.225 8.539 5.024 3 3H GLY 1 3HT GLY 1 10.981 10.181 5.385 4 1HA GLY 1 2HA GLY 1 9.008 10.161 4.411 5 2HA GLY 1 1HA GLY 1 9.772 9.640 2.909 6 H CYS 2 H CYS 2 7.204 8.778 4.253 7 HA CYS 2 HA CYS 2 7.697 5.966 5.001 8 1HB CYS 2 2HB CYS 2 5.341 6.002 5.531 9 2HB CYS 2 1HB CYS 2 6.009 7.547 6.053 10 H GLY 3 H GLY 3 5.287 4.898 3.774 11 1HA GLY 3 2HA GLY 3 6.349 4.139 1.191 12 2HA GLY 3 1HA GLY 3 4.768 3.686 1.828 13 H GLY 4 H GLY 4 2.983 4.719 1.000 14 1HA GLY 4 2HA GLY 4 2.288 7.161 0.300 15 2HA GLY 4 1HA GLY 4 3.487 6.900 -0.966 16 H LEU 5 H LEU 5 1.380 7.323 -2.252 17 HA LEU 5 HA LEU 5 -0.607 5.195 -2.393 18 1HB LEU 5 2HB LEU 5 0.129 7.555 -4.144 19 2HB LEU 5 1HB LEU 5 -1.270 6.525 -4.445 20 HG LEU 5 HG LEU 5 -0.753 8.114 -1.914 21 1HD1 LEU 5 1HD1 LEU 5 -2.829 8.451 -4.100 22 2HD1 LEU 5 2HD1 LEU 5 -1.406 9.471 -3.889 23 3HD1 LEU 5 3HD1 LEU 5 -2.668 9.453 -2.657 24 1HD2 LEU 5 1HD2 LEU 5 -3.355 7.353 -1.809 25 2HD2 LEU 5 2HD2 LEU 5 -2.053 6.424 -1.064 26 3HD2 LEU 5 3HD2 LEU 5 -2.669 5.963 -2.651 27 H MET 6 H MET 6 2.581 5.439 -3.607 28 HA MET 6 HA MET 6 2.074 3.141 -5.431 29 1HB MET 6 2HB MET 6 2.033 5.492 -6.535 30 2HB MET 6 1HB MET 6 3.774 5.500 -6.249 31 1HG MET 6 2HG MET 6 3.988 3.379 -7.497 32 2HG MET 6 1HG MET 6 2.249 3.376 -7.786 33 1HE MET 6 1HE MET 6 3.136 3.645 -11.010 34 2HE MET 6 2HE MET 6 1.690 4.617 -10.751 35 3HE MET 6 3HE MET 6 1.985 3.204 -9.742 36 H ALA 7 H ALA 7 3.247 3.128 -2.835 37 HA ALA 7 HA ALA 7 6.186 3.112 -3.165 38 1HB ALA 7 1HB ALA 7 4.751 2.067 -0.755 39 2HB ALA 7 2HB ALA 7 4.581 3.781 -1.134 40 3HB ALA 7 3HB ALA 7 6.180 3.096 -0.846 41 H GLY 8 H GLY 8 6.801 1.355 -4.432 42 1HA GLY 8 2HA GLY 8 5.560 -1.180 -4.575 43 2HA GLY 8 1HA GLY 8 7.258 -0.886 -4.957 44 H CYS 9 H CYS 9 5.296 -2.663 -2.982 45 HA CYS 9 HA CYS 9 7.354 -2.790 -0.806 46 1HB CYS 9 2HB CYS 9 5.347 -3.724 0.512 47 2HB CYS 9 1HB CYS 9 5.314 -2.008 0.118 48 H ASP 10 H ASP 10 5.029 -4.790 -2.643 49 HA ASP 10 HA ASP 10 5.061 -7.089 -3.179 50 1HB ASP 10 2HB ASP 10 7.148 -5.985 -4.258 51 2HB ASP 10 1HB ASP 10 8.063 -6.785 -2.980 52 H GLY 11 H GLY 11 4.312 -7.201 -0.725 53 1HA GLY 11 2HA GLY 11 5.148 -9.506 0.497 54 2HA GLY 11 1HA GLY 11 6.285 -8.314 1.130 55 H LYS 12 H LYS 12 3.611 -9.860 2.006 56 HA LYS 12 HA LYS 12 1.785 -7.817 2.887 57 1HB LYS 12 2HB LYS 12 0.968 -9.691 4.367 58 2HB LYS 12 1HB LYS 12 1.130 -10.144 2.672 59 1HG LYS 12 2HG LYS 12 2.349 -11.896 3.439 60 2HG LYS 12 1HG LYS 12 3.638 -10.720 3.675 61 1HD LYS 12 2HD LYS 12 2.952 -10.354 5.980 62 2HD LYS 12 1HD LYS 12 1.549 -11.402 5.762 63 1HE LYS 12 2HE LYS 12 3.359 -12.648 6.889 64 2HE LYS 12 1HE LYS 12 3.105 -13.310 5.263 65 1HZ LYS 12 1HZ LYS 12 4.927 -12.109 4.419 66 2HZ LYS 12 2HZ LYS 12 5.486 -12.759 5.885 67 3HZ LYS 12 3HZ LYS 12 5.037 -11.124 5.795 68 H SER 13 H SER 13 4.917 -8.676 4.056 69 HA SER 13 HA SER 13 4.361 -7.621 6.790 70 1HB SER 13 2HB SER 13 6.372 -9.348 5.448 71 2HB SER 13 1HB SER 13 6.981 -8.343 6.760 72 HG SER 13 HG SER 13 6.098 -9.737 8.047 73 H THR 14 H THR 14 4.626 -5.992 4.137 74 HA THR 14 HA THR 14 7.065 -4.405 4.515 75 HB THR 14 HB THR 14 5.863 -4.951 2.330 76 HG1 THR 14 1HG THR 14 6.050 -2.166 2.702 77 1HG2 THR 14 1HG2 THR 14 4.056 -2.634 2.793 78 2HG2 THR 14 2HG2 THR 14 3.616 -4.144 3.594 79 3HG2 THR 14 3HG2 THR 14 3.797 -4.096 1.841 80 H PHE 15 H PHE 15 6.801 -1.935 4.725 81 HA PHE 15 HA PHE 15 4.569 -1.250 6.616 82 1HB PHE 15 2HB PHE 15 7.547 -0.712 6.744 83 2HB PHE 15 1HB PHE 15 6.389 0.176 7.735 84 HD1 PHE 15 1HD PHE 15 8.358 -2.793 7.475 85 HD2 PHE 15 2HD PHE 15 4.713 -1.243 9.140 86 HE1 PHE 15 1HE PHE 15 8.297 -4.671 9.094 87 HE2 PHE 15 2HE PHE 15 4.654 -3.121 10.758 88 HZ PHE 15 HZ PHE 15 6.446 -4.834 10.735 89 H CYS 16 H CYS 16 3.652 0.788 6.307 90 HA CYS 16 HA CYS 16 4.807 2.499 4.125 91 1HB CYS 16 2HB CYS 16 1.947 1.677 4.730 92 2HB CYS 16 1HB CYS 16 2.366 2.936 3.570 93 H CYS 17 H CYS 17 2.630 4.470 4.528 94 HA CYS 17 HA CYS 17 3.828 6.091 6.581 95 1HB CYS 17 2HB CYS 17 1.959 6.310 4.453 96 2HB CYS 17 1HB CYS 17 1.150 6.905 5.903 97 H SER 18 H SER 18 0.436 4.949 6.480 98 HA SER 18 HA SER 18 0.597 4.152 9.335 99 1HB SER 18 2HB SER 18 -0.785 6.547 8.205 100 2HB SER 18 1HB SER 18 -1.605 5.674 9.495 101 HG SER 18 HG SER 18 -0.308 7.091 10.527 102 H GLY 19 H GLY 19 -2.194 4.992 7.286 103 1HA GLY 19 2HA GLY 19 -3.188 2.210 7.620 104 2HA GLY 19 1HA GLY 19 -4.174 3.597 7.158 105 H TYR 20 H TYR 20 -1.168 3.491 5.514 106 HA TYR 20 HA TYR 20 -2.452 3.076 2.938 107 1HB TYR 20 2HB TYR 20 0.306 3.540 4.035 108 2HB TYR 20 1HB TYR 20 0.144 3.002 2.364 109 HD1 TYR 20 1HD TYR 20 0.409 4.813 0.926 110 HD2 TYR 20 2HD TYR 20 -1.911 5.317 4.503 111 HE1 TYR 20 1HE TYR 20 -0.178 7.116 0.221 112 HE2 TYR 20 2HE TYR 20 -2.498 7.620 3.799 113 HH TYR 20 HH TYR 20 -2.358 8.735 0.867 114 H ASN 21 H ASN 21 -2.988 1.071 2.164 115 HA ASN 21 HA ASN 21 -1.492 -1.315 3.178 116 1HB ASN 21 2HB ASN 21 -4.172 -0.730 3.075 117 2HB ASN 21 1HB ASN 21 -3.961 -1.653 1.587 118 1HD2 ASN 21 1HD2 ASN 21 -4.618 -3.767 2.072 119 2HD2 ASN 21 2HD2 ASN 21 -4.104 -4.646 3.431 120 H CYS 22 H CYS 22 -0.803 -2.933 1.636 121 HA CYS 22 HA CYS 22 -0.030 -1.797 -0.980 122 1HB CYS 22 2HB CYS 22 0.692 -4.128 0.753 123 2HB CYS 22 1HB CYS 22 1.062 -4.230 -0.969 124 H SER 23 H SER 23 -0.934 -2.396 -2.924 125 HA SER 23 HA SER 23 -3.334 -4.112 -2.899 126 1HB SER 23 2HB SER 23 -2.758 -1.840 -4.169 127 2HB SER 23 1HB SER 23 -2.095 -2.943 -5.370 128 HG SER 23 HG SER 23 -4.694 -2.409 -4.700 129 HA PRO 24 HA PRO 24 -1.082 -7.692 -4.203 130 1HB PRO 24 2HB PRO 24 -3.186 -9.189 -5.103 131 2HB PRO 24 1HB PRO 24 -2.844 -8.934 -3.380 132 1HG PRO 24 2HG PRO 24 -4.855 -7.608 -5.124 133 2HG PRO 24 1HG PRO 24 -4.985 -8.116 -3.434 134 1HD PRO 24 2HD PRO 24 -4.556 -5.533 -4.213 135 2HD PRO 24 1HD PRO 24 -4.034 -6.193 -2.648 136 H THR 25 H THR 25 -3.231 -5.947 -6.388 137 HA THR 25 HA THR 25 -2.154 -7.323 -8.778 138 HB THR 25 HB THR 25 -4.548 -6.779 -8.590 139 HG1 THR 25 1HG THR 25 -4.582 -6.349 -10.634 140 1HG2 THR 25 1HG2 THR 25 -3.452 -4.089 -7.973 141 2HG2 THR 25 2HG2 THR 25 -4.909 -4.876 -7.371 142 3HG2 THR 25 3HG2 THR 25 -4.903 -4.134 -8.971 143 H TRP 26 H TRP 26 -1.642 -4.332 -7.007 144 HA TRP 26 HA TRP 26 -0.055 -3.187 -9.264 145 1HB TRP 26 2HB TRP 26 -0.898 -2.026 -6.591 146 2HB TRP 26 1HB TRP 26 -0.175 -1.137 -7.925 147 HD1 TRP 26 HD TRP 26 -1.980 -2.820 -10.142 148 HE1 TRP 26 1HE TRP 26 -4.423 -2.076 -10.454 149 HE3 TRP 26 3HE TRP 26 -2.679 -0.246 -5.793 150 HZ2 TRP 26 2HZ TRP 26 -6.409 -0.564 -9.058 151 HZ3 TRP 26 3HZ TRP 26 -4.852 0.841 -5.310 152 HH2 TRP 26 HH TRP 26 -6.718 0.684 -6.935 153 H LYS 27 H LYS 27 0.302 -4.684 -6.135 154 HA LYS 27 HA LYS 27 2.224 -5.425 -5.010 155 1HB LYS 27 2HB LYS 27 2.878 -5.329 -7.684 156 2HB LYS 27 1HB LYS 27 4.130 -4.318 -6.960 157 1HG LYS 27 2HG LYS 27 4.999 -6.532 -6.889 158 2HG LYS 27 1HG LYS 27 4.447 -6.201 -5.248 159 1HD LYS 27 2HD LYS 27 2.323 -7.299 -6.934 160 2HD LYS 27 1HD LYS 27 3.704 -8.386 -6.804 161 1HE LYS 27 2HE LYS 27 2.968 -8.998 -4.751 162 2HE LYS 27 1HE LYS 27 3.242 -7.337 -4.193 163 1HZ LYS 27 1HZ LYS 27 0.780 -8.546 -5.277 164 2HZ LYS 27 2HZ LYS 27 1.039 -6.876 -5.451 165 3HZ LYS 27 3HZ LYS 27 0.975 -7.572 -3.903 166 H TRP 28 H TRP 28 1.331 -2.292 -5.281 167 HA TRP 28 HA TRP 28 3.656 -1.393 -3.622 168 1HB TRP 28 2HB TRP 28 3.457 0.815 -4.654 169 2HB TRP 28 1HB TRP 28 3.682 -0.407 -5.895 170 HD1 TRP 28 HD TRP 28 0.494 0.984 -4.140 171 HE1 TRP 28 1HE TRP 28 -1.195 1.620 -5.977 172 HE3 TRP 28 3HE TRP 28 3.218 -0.200 -8.292 173 HZ2 TRP 28 2HZ TRP 28 -1.370 1.632 -8.827 174 HZ3 TRP 28 3HZ TRP 28 2.267 0.136 -10.555 175 HH2 TRP 28 HH TRP 28 -0.021 1.051 -10.827 176 H CYS 29 H CYS 29 2.987 0.608 -2.255 177 HA CYS 29 HA CYS 29 0.605 -0.144 -0.720 178 1HB CYS 29 2HB CYS 29 3.045 0.902 -0.137 179 2HB CYS 29 1HB CYS 29 2.067 2.369 -0.144 180 H VAL 30 H VAL 30 -1.250 1.122 -0.438 181 HA VAL 30 HA VAL 30 -1.580 3.541 -2.174 182 HB VAL 30 HB VAL 30 -3.748 2.642 -2.902 183 1HG1 VAL 30 1HG1 VAL 30 -1.820 0.352 -3.233 184 2HG1 VAL 30 2HG1 VAL 30 -1.487 1.918 -3.973 185 3HG1 VAL 30 3HG1 VAL 30 -2.947 1.031 -4.406 186 1HG2 VAL 30 1HG2 VAL 30 -3.562 -0.075 -2.026 187 2HG2 VAL 30 2HG2 VAL 30 -4.817 1.105 -1.649 188 3HG2 VAL 30 3HG2 VAL 30 -3.404 0.958 -0.605 189 H TYR 31 H TYR 31 -4.134 4.225 -1.514 190 HA TYR 31 HA TYR 31 -3.921 4.818 1.392 191 1HB TYR 31 2HB TYR 31 -4.306 6.720 0.020 192 2HB TYR 31 1HB TYR 31 -5.493 5.872 -0.968 193 HD1 TYR 31 1HD TYR 31 -7.791 5.994 -0.453 194 HD2 TYR 31 2HD TYR 31 -4.886 7.131 2.504 195 HE1 TYR 31 1HE TYR 31 -9.609 6.828 1.012 196 HE2 TYR 31 2HE TYR 31 -6.706 7.965 3.967 197 HH TYR 31 HH TYR 31 -9.579 7.180 3.951 198 H ALA 32 H ALA 32 -5.383 3.999 2.889 199 HA ALA 32 HA ALA 32 -7.191 1.833 1.990 200 1HB ALA 32 1HB ALA 32 -5.886 1.280 3.870 201 2HB ALA 32 2HB ALA 32 -7.435 1.723 4.590 202 3HB ALA 32 3HB ALA 32 -6.098 2.873 4.599 203 H ARG 33 H ARG 33 -9.447 1.911 2.202 204 HA ARG 33 HA ARG 33 -10.856 4.327 1.929 205 1HB ARG 33 2HB ARG 33 -11.502 1.519 2.749 206 2HB ARG 33 1HB ARG 33 -12.764 2.741 2.907 207 1HG ARG 33 2HG ARG 33 -11.192 2.527 0.351 208 2HG ARG 33 1HG ARG 33 -12.540 1.430 0.651 209 1HD ARG 33 2HD ARG 33 -14.123 3.133 0.570 210 2HD ARG 33 1HD ARG 33 -12.966 4.371 1.097 211 HE ARG 33 HE ARG 33 -12.549 3.087 -1.558 212 1HH1 ARG 33 1HH2 ARG 33 -14.808 5.084 -1.572 213 2HH1 ARG 33 2HH2 ARG 33 -13.983 6.553 -1.976 214 1HH2 ARG 33 1HH1 ARG 33 -10.829 5.300 -1.232 215 2HH2 ARG 33 2HH1 ARG 33 -11.727 6.675 -1.783 216 HA PRO 34 HA PRO 34 -11.857 4.338 6.617 217 1HB PRO 34 2HB PRO 34 -10.489 2.619 8.255 218 2HB PRO 34 1HB PRO 34 -12.031 2.199 7.482 219 1HG PRO 34 2HG PRO 34 -9.260 1.451 6.703 220 2HG PRO 34 1HG PRO 34 -10.745 0.490 6.654 221 1HD PRO 34 2HD PRO 34 -9.637 1.660 4.457 222 2HD PRO 34 1HD PRO 34 -11.374 1.327 4.620 Start of MODEL 8 1 1H GLY 1 1HT GLY 1 10.928 6.493 2.722 2 2H GLY 1 2HT GLY 1 11.746 5.130 2.119 3 3H GLY 1 3HT GLY 1 12.612 6.370 2.895 4 1HA GLY 1 2HA GLY 1 12.323 4.419 4.328 5 2HA GLY 1 1HA GLY 1 11.573 5.873 4.990 6 H CYS 2 H CYS 2 9.199 6.169 4.376 7 HA CYS 2 HA CYS 2 7.803 3.567 4.737 8 1HB CYS 2 2HB CYS 2 5.954 4.987 5.452 9 2HB CYS 2 1HB CYS 2 7.432 5.548 6.233 10 H GLY 3 H GLY 3 5.423 3.788 3.600 11 1HA GLY 3 2HA GLY 3 6.023 4.051 0.699 12 2HA GLY 3 1HA GLY 3 4.675 3.147 1.386 13 H GLY 4 H GLY 4 3.106 4.236 0.109 14 1HA GLY 4 2HA GLY 4 1.981 6.611 1.237 15 2HA GLY 4 1HA GLY 4 2.869 7.040 -0.225 16 H LEU 5 H LEU 5 1.729 6.919 -2.103 17 HA LEU 5 HA LEU 5 -0.813 5.329 -2.108 18 1HB LEU 5 2HB LEU 5 -0.353 7.980 -2.583 19 2HB LEU 5 1HB LEU 5 -0.282 7.329 -4.221 20 HG LEU 5 HG LEU 5 -2.476 6.097 -2.838 21 1HD1 LEU 5 1HD1 LEU 5 -3.843 8.214 -2.566 22 2HD1 LEU 5 2HD1 LEU 5 -2.334 9.118 -2.697 23 3HD1 LEU 5 3HD1 LEU 5 -2.574 7.991 -1.362 24 1HD2 LEU 5 1HD2 LEU 5 -3.744 7.226 -4.704 25 2HD2 LEU 5 2HD2 LEU 5 -2.348 6.297 -5.251 26 3HD2 LEU 5 3HD2 LEU 5 -2.251 8.055 -5.145 27 H MET 6 H MET 6 2.332 5.517 -3.533 28 HA MET 6 HA MET 6 1.679 3.255 -5.328 29 1HB MET 6 2HB MET 6 1.843 5.976 -6.170 30 2HB MET 6 1HB MET 6 3.273 5.151 -6.790 31 1HG MET 6 2HG MET 6 2.023 3.644 -8.054 32 2HG MET 6 1HG MET 6 0.587 3.832 -7.047 33 1HE MET 6 1HE MET 6 -0.749 3.854 -9.160 34 2HE MET 6 2HE MET 6 -1.353 5.420 -9.692 35 3HE MET 6 3HE MET 6 -1.429 4.988 -7.986 36 H ALA 7 H ALA 7 3.307 3.665 -2.879 37 HA ALA 7 HA ALA 7 6.126 3.766 -3.572 38 1HB ALA 7 1HB ALA 7 6.111 4.055 -1.332 39 2HB ALA 7 2HB ALA 7 5.670 2.359 -1.138 40 3HB ALA 7 3HB ALA 7 4.414 3.588 -1.266 41 H GLY 8 H GLY 8 7.206 1.537 -2.293 42 1HA GLY 8 2HA GLY 8 6.464 -0.608 -4.223 43 2HA GLY 8 1HA GLY 8 8.018 -0.482 -3.399 44 H CYS 9 H CYS 9 5.159 -2.143 -3.436 45 HA CYS 9 HA CYS 9 5.294 -2.821 -0.521 46 1HB CYS 9 2HB CYS 9 3.191 -2.220 -2.391 47 2HB CYS 9 1HB CYS 9 2.970 -3.863 -1.793 48 H ASP 10 H ASP 10 7.215 -3.974 -2.309 49 HA ASP 10 HA ASP 10 6.349 -6.572 -3.271 50 1HB ASP 10 2HB ASP 10 9.003 -5.225 -2.707 51 2HB ASP 10 1HB ASP 10 8.917 -6.881 -3.311 52 H GLY 11 H GLY 11 5.217 -7.302 -1.294 53 1HA GLY 11 2HA GLY 11 6.225 -9.305 0.178 54 2HA GLY 11 1HA GLY 11 6.885 -7.925 1.062 55 H LYS 12 H LYS 12 4.414 -10.034 1.193 56 HA LYS 12 HA LYS 12 2.085 -8.386 1.598 57 1HB LYS 12 2HB LYS 12 1.143 -10.442 2.473 58 2HB LYS 12 1HB LYS 12 2.204 -10.862 1.129 59 1HG LYS 12 2HG LYS 12 4.029 -11.084 3.015 60 2HG LYS 12 1HG LYS 12 2.631 -11.266 4.074 61 1HD LYS 12 2HD LYS 12 2.293 -13.377 3.374 62 2HD LYS 12 1HD LYS 12 2.299 -12.869 1.686 63 1HE LYS 12 2HE LYS 12 4.876 -13.178 3.249 64 2HE LYS 12 1HE LYS 12 4.143 -14.533 2.370 65 1HZ LYS 12 1HZ LYS 12 5.432 -13.573 0.739 66 2HZ LYS 12 2HZ LYS 12 5.201 -11.994 1.316 67 3HZ LYS 12 3HZ LYS 12 3.955 -12.786 0.474 68 H SER 13 H SER 13 4.903 -8.747 3.522 69 HA SER 13 HA SER 13 3.440 -7.949 6.013 70 1HB SER 13 2HB SER 13 4.984 -10.034 5.762 71 2HB SER 13 1HB SER 13 6.306 -8.870 5.802 72 HG SER 13 HG SER 13 5.489 -9.824 7.876 73 H THR 14 H THR 14 4.260 -6.127 3.716 74 HA THR 14 HA THR 14 6.422 -4.487 4.912 75 HB THR 14 HB THR 14 6.135 -5.054 2.431 76 HG1 THR 14 1HG THR 14 6.118 -2.287 3.033 77 1HG2 THR 14 1HG2 THR 14 4.462 -4.010 1.154 78 2HG2 THR 14 2HG2 THR 14 4.098 -2.836 2.419 79 3HG2 THR 14 3HG2 THR 14 3.597 -4.517 2.604 80 H PHE 15 H PHE 15 6.055 -2.242 5.492 81 HA PHE 15 HA PHE 15 3.203 -1.649 6.214 82 1HB PHE 15 2HB PHE 15 5.846 -1.366 7.572 83 2HB PHE 15 1HB PHE 15 4.642 -0.116 7.895 84 HD1 PHE 15 1HD PHE 15 3.001 -0.490 9.517 85 HD2 PHE 15 2HD PHE 15 4.987 -3.852 7.725 86 HE1 PHE 15 1HE PHE 15 1.814 -2.018 11.068 87 HE2 PHE 15 2HE PHE 15 3.800 -5.379 9.275 88 HZ PHE 15 HZ PHE 15 2.213 -4.463 10.946 89 H CYS 16 H CYS 16 2.528 0.583 6.026 90 HA CYS 16 HA CYS 16 4.016 2.090 3.914 91 1HB CYS 16 2HB CYS 16 1.179 2.391 4.952 92 2HB CYS 16 1HB CYS 16 1.838 3.088 3.474 93 H CYS 17 H CYS 17 2.991 4.636 4.345 94 HA CYS 17 HA CYS 17 4.575 5.544 6.634 95 1HB CYS 17 2HB CYS 17 3.825 6.533 4.162 96 2HB CYS 17 1HB CYS 17 2.825 7.472 5.267 97 H SER 18 H SER 18 1.233 6.446 5.744 98 HA SER 18 HA SER 18 0.137 5.643 8.333 99 1HB SER 18 2HB SER 18 1.326 8.275 7.896 100 2HB SER 18 1HB SER 18 -0.360 8.398 8.386 101 HG SER 18 HG SER 18 0.113 7.520 10.273 102 H GLY 19 H GLY 19 -1.954 5.105 7.856 103 1HA GLY 19 2HA GLY 19 -4.132 5.278 6.972 104 2HA GLY 19 1HA GLY 19 -3.709 6.878 6.367 105 H TYR 20 H TYR 20 -1.822 4.001 5.574 106 HA TYR 20 HA TYR 20 -2.939 4.105 2.791 107 1HB TYR 20 2HB TYR 20 -0.068 3.974 3.755 108 2HB TYR 20 1HB TYR 20 -0.539 3.672 2.084 109 HD1 TYR 20 1HD TYR 20 0.960 6.069 3.884 110 HD2 TYR 20 2HD TYR 20 -2.587 5.619 1.502 111 HE1 TYR 20 1HE TYR 20 0.943 8.509 3.444 112 HE2 TYR 20 2HE TYR 20 -2.603 8.058 1.064 113 HH TYR 20 HH TYR 20 -0.269 9.967 1.227 114 H ASN 21 H ASN 21 -3.503 2.120 2.007 115 HA ASN 21 HA ASN 21 -2.847 -0.287 3.627 116 1HB ASN 21 2HB ASN 21 -5.197 0.184 3.103 117 2HB ASN 21 1HB ASN 21 -4.816 0.276 1.384 118 1HD2 ASN 21 1HD2 ASN 21 -4.675 -1.697 0.207 119 2HD2 ASN 21 2HD2 ASN 21 -4.899 -3.223 0.915 120 H CYS 22 H CYS 22 -1.626 -1.972 2.781 121 HA CYS 22 HA CYS 22 -0.085 -1.402 0.329 122 1HB CYS 22 2HB CYS 22 1.009 -2.165 2.376 123 2HB CYS 22 1HB CYS 22 -0.008 -3.606 2.409 124 H SER 23 H SER 23 -0.455 -2.374 -1.621 125 HA SER 23 HA SER 23 -2.556 -4.504 -1.776 126 1HB SER 23 2HB SER 23 -1.767 -2.133 -3.323 127 2HB SER 23 1HB SER 23 -2.015 -3.555 -4.330 128 HG SER 23 HG SER 23 -3.935 -2.293 -3.909 129 HA PRO 24 HA PRO 24 0.968 -7.120 -2.738 130 1HB PRO 24 2HB PRO 24 -0.448 -9.454 -2.928 131 2HB PRO 24 1HB PRO 24 0.011 -8.726 -1.376 132 1HG PRO 24 2HG PRO 24 -2.601 -8.660 -2.797 133 2HG PRO 24 1HG PRO 24 -2.260 -8.797 -1.066 134 1HD PRO 24 2HD PRO 24 -3.047 -6.480 -2.280 135 2HD PRO 24 1HD PRO 24 -2.079 -6.536 -0.791 136 H THR 25 H THR 25 -2.064 -6.986 -4.560 137 HA THR 25 HA THR 25 -1.009 -8.334 -6.932 138 HB THR 25 HB THR 25 -3.463 -6.612 -6.440 139 HG1 THR 25 1HG THR 25 -4.233 -8.330 -5.554 140 1HG2 THR 25 1HG2 THR 25 -4.319 -7.978 -8.439 141 2HG2 THR 25 2HG2 THR 25 -2.629 -8.379 -8.743 142 3HG2 THR 25 3HG2 THR 25 -3.158 -6.698 -8.794 143 H TRP 26 H TRP 26 -1.256 -5.001 -5.796 144 HA TRP 26 HA TRP 26 -0.436 -3.941 -8.453 145 1HB TRP 26 2HB TRP 26 -1.178 -2.579 -5.841 146 2HB TRP 26 1HB TRP 26 -0.975 -1.780 -7.399 147 HD1 TRP 26 HD TRP 26 -3.336 -4.085 -5.490 148 HE1 TRP 26 1HE TRP 26 -5.573 -4.237 -6.758 149 HE3 TRP 26 3HE TRP 26 -2.093 -1.600 -9.775 150 HZ2 TRP 26 2HZ TRP 26 -6.690 -3.412 -9.256 151 HZ3 TRP 26 3HZ TRP 26 -3.762 -1.298 -11.581 152 HH2 TRP 26 HH TRP 26 -6.056 -2.201 -11.327 153 H LYS 27 H LYS 27 1.011 -4.886 -5.481 154 HA LYS 27 HA LYS 27 3.220 -4.769 -4.713 155 1HB LYS 27 2HB LYS 27 3.253 -4.712 -7.535 156 2HB LYS 27 1HB LYS 27 4.412 -3.488 -7.019 157 1HG LYS 27 2HG LYS 27 5.630 -5.546 -7.134 158 2HG LYS 27 1HG LYS 27 5.359 -5.232 -5.420 159 1HD LYS 27 2HD LYS 27 3.173 -6.653 -5.802 160 2HD LYS 27 1HD LYS 27 4.056 -7.270 -7.200 161 1HE LYS 27 2HE LYS 27 5.981 -7.816 -5.655 162 2HE LYS 27 1HE LYS 27 4.926 -7.389 -4.293 163 1HZ LYS 27 1HZ LYS 27 3.277 -8.966 -5.155 164 2HZ LYS 27 2HZ LYS 27 4.737 -9.741 -4.762 165 3HZ LYS 27 3HZ LYS 27 4.351 -9.422 -6.387 166 H TRP 28 H TRP 28 1.361 -2.371 -4.434 167 HA TRP 28 HA TRP 28 3.418 -0.555 -3.403 168 1HB TRP 28 2HB TRP 28 2.792 1.369 -4.746 169 2HB TRP 28 1HB TRP 28 3.232 0.055 -5.822 170 HD1 TRP 28 HD TRP 28 -0.128 1.156 -4.179 171 HE1 TRP 28 1HE TRP 28 -1.919 1.181 -6.033 172 HE3 TRP 28 3HE TRP 28 2.717 -0.236 -8.172 173 HZ2 TRP 28 2HZ TRP 28 -2.114 0.692 -8.842 174 HZ3 TRP 28 3HZ TRP 28 1.712 -0.440 -10.428 175 HH2 TRP 28 HH TRP 28 -0.699 0.024 -10.768 176 H CYS 29 H CYS 29 2.526 0.932 -1.850 177 HA CYS 29 HA CYS 29 -0.023 0.059 -0.691 178 1HB CYS 29 2HB CYS 29 2.177 0.737 0.478 179 2HB CYS 29 1HB CYS 29 1.698 2.399 0.143 180 H VAL 30 H VAL 30 -1.905 1.333 -0.529 181 HA VAL 30 HA VAL 30 -1.976 3.879 -2.116 182 HB VAL 30 HB VAL 30 -4.196 3.116 -2.943 183 1HG1 VAL 30 1HG1 VAL 30 -2.050 2.582 -4.166 184 2HG1 VAL 30 2HG1 VAL 30 -3.391 1.491 -4.517 185 3HG1 VAL 30 3HG1 VAL 30 -2.105 0.983 -3.422 186 1HG2 VAL 30 1HG2 VAL 30 -5.281 1.355 -2.036 187 2HG2 VAL 30 2HG2 VAL 30 -4.031 1.325 -0.792 188 3HG2 VAL 30 3HG2 VAL 30 -3.872 0.311 -2.226 189 H TYR 31 H TYR 31 -4.571 4.620 -1.589 190 HA TYR 31 HA TYR 31 -4.460 5.584 1.123 191 1HB TYR 31 2HB TYR 31 -5.687 6.395 -1.075 192 2HB TYR 31 1HB TYR 31 -6.999 5.382 -0.473 193 HD1 TYR 31 1HD TYR 31 -8.047 5.852 1.728 194 HD2 TYR 31 2HD TYR 31 -5.074 8.452 0.037 195 HE1 TYR 31 1HE TYR 31 -8.697 7.634 3.324 196 HE2 TYR 31 2HE TYR 31 -5.726 10.235 1.632 197 HH TYR 31 HH TYR 31 -8.350 10.530 3.081 198 H ALA 32 H ALA 32 -5.777 4.935 2.937 199 HA ALA 32 HA ALA 32 -6.455 2.054 2.956 200 1HB ALA 32 1HB ALA 32 -6.844 2.673 5.430 201 2HB ALA 32 2HB ALA 32 -6.235 4.272 5.001 202 3HB ALA 32 3HB ALA 32 -5.201 2.855 4.818 203 H ARG 33 H ARG 33 -8.506 1.415 2.464 204 HA ARG 33 HA ARG 33 -10.784 3.246 3.152 205 1HB ARG 33 2HB ARG 33 -9.834 2.333 0.626 206 2HB ARG 33 1HB ARG 33 -11.364 1.509 0.928 207 1HG ARG 33 2HG ARG 33 -12.340 3.412 0.185 208 2HG ARG 33 1HG ARG 33 -11.902 4.090 1.754 209 1HD ARG 33 2HD ARG 33 -9.658 4.733 0.726 210 2HD ARG 33 1HD ARG 33 -10.362 4.313 -0.849 211 HE ARG 33 HE ARG 33 -12.138 6.008 -0.393 212 1HH1 ARG 33 1HH1 ARG 33 -11.420 6.182 2.596 213 2HH1 ARG 33 2HH1 ARG 33 -10.661 7.737 2.654 214 1HH2 ARG 33 1HH2 ARG 33 -10.234 7.948 -0.789 215 2HH2 ARG 33 2HH2 ARG 33 -9.986 8.740 0.731 216 HA PRO 34 HA PRO 34 -11.489 -0.765 5.258 217 1HB PRO 34 2HB PRO 34 -12.837 0.318 7.384 218 2HB PRO 34 1HB PRO 34 -11.067 0.216 7.310 219 1HG PRO 34 2HG PRO 34 -12.852 2.538 6.789 220 2HG PRO 34 1HG PRO 34 -11.276 2.483 7.591 221 1HD PRO 34 2HD PRO 34 -11.627 3.320 5.018 222 2HD PRO 34 1HD PRO 34 -10.120 2.594 5.620 Start of MODEL 9 1 1H GLY 1 1HT GLY 1 11.081 6.066 8.542 2 2H GLY 1 2HT GLY 1 9.909 4.844 8.390 3 3H GLY 1 3HT GLY 1 9.434 6.455 8.653 4 1HA GLY 1 2HA GLY 1 10.316 7.103 6.503 5 2HA GLY 1 1HA GLY 1 10.811 5.432 6.228 6 H CYS 2 H CYS 2 8.345 7.635 5.691 7 HA CYS 2 HA CYS 2 6.098 5.723 5.745 8 1HB CYS 2 2HB CYS 2 6.554 8.623 5.081 9 2HB CYS 2 1HB CYS 2 5.049 7.848 4.589 10 H GLY 3 H GLY 3 5.162 4.775 3.895 11 1HA GLY 3 2HA GLY 3 6.865 4.544 1.535 12 2HA GLY 3 1HA GLY 3 5.303 3.757 1.768 13 H GLY 4 H GLY 4 3.369 4.954 1.248 14 1HA GLY 4 2HA GLY 4 2.851 7.497 0.547 15 2HA GLY 4 1HA GLY 4 3.826 7.002 -0.837 16 H LEU 5 H LEU 5 1.816 7.432 -2.083 17 HA LEU 5 HA LEU 5 -0.401 5.495 -1.713 18 1HB LEU 5 2HB LEU 5 -0.245 8.130 -2.417 19 2HB LEU 5 1HB LEU 5 -0.371 7.366 -4.003 20 HG LEU 5 HG LEU 5 -2.206 6.233 -2.006 21 1HD1 LEU 5 1HD1 LEU 5 -2.456 8.422 -1.146 22 2HD1 LEU 5 2HD1 LEU 5 -3.763 8.269 -2.320 23 3HD1 LEU 5 3HD1 LEU 5 -2.300 9.159 -2.740 24 1HD2 LEU 5 1HD2 LEU 5 -2.954 5.584 -4.045 25 2HD2 LEU 5 2HD2 LEU 5 -2.042 6.849 -4.868 26 3HD2 LEU 5 3HD2 LEU 5 -3.629 7.206 -4.187 27 H MET 6 H MET 6 2.549 5.465 -3.337 28 HA MET 6 HA MET 6 1.632 3.273 -5.110 29 1HB MET 6 2HB MET 6 2.117 5.983 -5.946 30 2HB MET 6 1HB MET 6 3.357 4.946 -6.651 31 1HG MET 6 2HG MET 6 0.771 3.656 -6.807 32 2HG MET 6 1HG MET 6 0.700 5.257 -7.541 33 1HE MET 6 1HE MET 6 0.476 3.962 -10.320 34 2HE MET 6 2HE MET 6 1.851 4.968 -10.769 35 3HE MET 6 3HE MET 6 0.743 5.513 -9.513 36 H ALA 7 H ALA 7 3.329 3.445 -2.706 37 HA ALA 7 HA ALA 7 6.120 3.182 -3.614 38 1HB ALA 7 1HB ALA 7 4.566 3.226 -1.066 39 2HB ALA 7 2HB ALA 7 6.035 4.101 -1.498 40 3HB ALA 7 3HB ALA 7 6.124 2.402 -1.033 41 H GLY 8 H GLY 8 6.462 1.306 -4.817 42 1HA GLY 8 2HA GLY 8 5.114 -1.166 -4.564 43 2HA GLY 8 1HA GLY 8 6.743 -0.992 -5.217 44 H CYS 9 H CYS 9 4.970 -2.356 -2.715 45 HA CYS 9 HA CYS 9 7.286 -2.368 -0.830 46 1HB CYS 9 2HB CYS 9 5.610 -3.012 0.819 47 2HB CYS 9 1HB CYS 9 5.027 -1.619 -0.083 48 H ASP 10 H ASP 10 5.138 -4.552 -2.636 49 HA ASP 10 HA ASP 10 5.322 -6.851 -3.128 50 1HB ASP 10 2HB ASP 10 7.485 -5.786 -3.981 51 2HB ASP 10 1HB ASP 10 8.251 -6.374 -2.507 52 H GLY 11 H GLY 11 4.160 -7.221 -0.988 53 1HA GLY 11 2HA GLY 11 5.110 -9.361 0.472 54 2HA GLY 11 1HA GLY 11 5.755 -7.966 1.338 55 H LYS 12 H LYS 12 3.704 -9.917 2.217 56 HA LYS 12 HA LYS 12 1.159 -8.423 2.238 57 1HB LYS 12 2HB LYS 12 0.331 -10.395 3.329 58 2HB LYS 12 1HB LYS 12 1.468 -10.948 2.103 59 1HG LYS 12 2HG LYS 12 3.088 -10.545 4.321 60 2HG LYS 12 1HG LYS 12 1.608 -11.198 5.020 61 1HD LYS 12 2HD LYS 12 1.718 -13.162 3.672 62 2HD LYS 12 1HD LYS 12 2.956 -12.464 2.627 63 1HE LYS 12 2HE LYS 12 3.505 -12.785 5.577 64 2HE LYS 12 1HE LYS 12 3.709 -14.162 4.477 65 1HZ LYS 12 1HZ LYS 12 4.931 -11.470 4.147 66 2HZ LYS 12 2HZ LYS 12 5.078 -12.755 3.043 67 3HZ LYS 12 3HZ LYS 12 5.752 -12.884 4.597 68 H SER 13 H SER 13 4.020 -8.102 3.956 69 HA SER 13 HA SER 13 2.632 -6.689 6.172 70 1HB SER 13 2HB SER 13 4.118 -7.937 7.793 71 2HB SER 13 1HB SER 13 2.932 -8.960 6.988 72 HG SER 13 HG SER 13 5.399 -9.469 7.082 73 H THR 14 H THR 14 3.945 -5.464 4.072 74 HA THR 14 HA THR 14 6.769 -4.984 4.579 75 HB THR 14 HB THR 14 5.460 -4.812 2.394 76 HG1 THR 14 1HG THR 14 7.322 -3.883 2.085 77 1HG2 THR 14 1HG2 THR 14 4.764 -2.048 2.651 78 2HG2 THR 14 2HG2 THR 14 3.982 -2.936 3.960 79 3HG2 THR 14 3HG2 THR 14 3.709 -3.411 2.285 80 H PHE 15 H PHE 15 7.142 -2.281 4.531 81 HA PHE 15 HA PHE 15 5.812 -1.308 7.042 82 1HB PHE 15 2HB PHE 15 8.266 -2.006 7.104 83 2HB PHE 15 1HB PHE 15 8.593 -0.650 6.026 84 HD1 PHE 15 1HD PHE 15 8.571 1.621 6.820 85 HD2 PHE 15 2HD PHE 15 7.329 -1.595 9.384 86 HE1 PHE 15 1HE PHE 15 8.591 3.161 8.763 87 HE2 PHE 15 2HE PHE 15 7.351 -0.054 11.326 88 HZ PHE 15 HZ PHE 15 7.981 2.325 11.016 89 H CYS 16 H CYS 16 4.247 0.055 6.124 90 HA CYS 16 HA CYS 16 5.085 2.045 4.061 91 1HB CYS 16 2HB CYS 16 2.930 0.436 4.229 92 2HB CYS 16 1HB CYS 16 2.297 1.818 5.123 93 H CYS 17 H CYS 17 2.858 3.859 5.018 94 HA CYS 17 HA CYS 17 4.438 5.264 7.103 95 1HB CYS 17 2HB CYS 17 3.624 6.307 4.940 96 2HB CYS 17 1HB CYS 17 1.981 6.152 5.556 97 H SER 18 H SER 18 1.067 6.020 7.107 98 HA SER 18 HA SER 18 0.520 4.199 9.409 99 1HB SER 18 2HB SER 18 1.293 6.908 9.586 100 2HB SER 18 1HB SER 18 -0.440 6.892 9.897 101 HG SER 18 HG SER 18 -0.130 5.621 11.618 102 H GLY 19 H GLY 19 -0.500 4.725 6.500 103 1HA GLY 19 2HA GLY 19 -3.266 4.119 7.000 104 2HA GLY 19 1HA GLY 19 -3.100 5.801 6.492 105 H TYR 20 H TYR 20 -1.192 2.981 5.454 106 HA TYR 20 HA TYR 20 -2.332 3.255 2.699 107 1HB TYR 20 2HB TYR 20 0.560 3.304 3.613 108 2HB TYR 20 1HB TYR 20 0.097 3.027 1.935 109 HD1 TYR 20 1HD TYR 20 0.533 5.488 4.562 110 HD2 TYR 20 2HD TYR 20 -1.223 4.797 0.704 111 HE1 TYR 20 1HE TYR 20 0.322 7.935 4.219 112 HE2 TYR 20 2HE TYR 20 -1.436 7.242 0.361 113 HH TYR 20 HH TYR 20 -1.485 9.404 2.527 114 H ASN 21 H ASN 21 -2.592 1.254 1.685 115 HA ASN 21 HA ASN 21 -1.488 -1.156 3.097 116 1HB ASN 21 2HB ASN 21 -4.093 -0.410 2.899 117 2HB ASN 21 1HB ASN 21 -3.935 -1.356 1.418 118 1HD2 ASN 21 1HD2 ASN 21 -3.561 -3.659 1.621 119 2HD2 ASN 21 2HD2 ASN 21 -3.661 -4.459 3.115 120 H CYS 22 H CYS 22 -0.841 -2.922 1.700 121 HA CYS 22 HA CYS 22 0.108 -2.015 -0.950 122 1HB CYS 22 2HB CYS 22 0.562 -4.343 0.899 123 2HB CYS 22 1HB CYS 22 1.099 -4.442 -0.779 124 H SER 23 H SER 23 -0.765 -2.660 -2.879 125 HA SER 23 HA SER 23 -3.234 -4.300 -2.836 126 1HB SER 23 2HB SER 23 -2.586 -2.020 -4.090 127 2HB SER 23 1HB SER 23 -2.022 -3.153 -5.313 128 HG SER 23 HG SER 23 -4.600 -2.630 -4.386 129 HA PRO 24 HA PRO 24 -1.112 -7.894 -4.293 130 1HB PRO 24 2HB PRO 24 -3.227 -9.237 -5.390 131 2HB PRO 24 1HB PRO 24 -2.974 -9.099 -3.638 132 1HG PRO 24 2HG PRO 24 -4.833 -7.600 -5.405 133 2HG PRO 24 1HG PRO 24 -5.063 -8.168 -3.745 134 1HD PRO 24 2HD PRO 24 -4.477 -5.575 -4.418 135 2HD PRO 24 1HD PRO 24 -4.104 -6.308 -2.843 136 H THR 25 H THR 25 -3.289 -6.179 -6.519 137 HA THR 25 HA THR 25 -1.984 -7.318 -8.907 138 HB THR 25 HB THR 25 -4.054 -5.116 -8.643 139 HG1 THR 25 1HG THR 25 -4.317 -7.938 -8.735 140 1HG2 THR 25 1HG2 THR 25 -4.666 -5.742 -10.907 141 2HG2 THR 25 2HG2 THR 25 -3.511 -7.076 -10.890 142 3HG2 THR 25 3HG2 THR 25 -2.934 -5.409 -10.865 143 H TRP 26 H TRP 26 -2.104 -4.222 -7.167 144 HA TRP 26 HA TRP 26 -0.406 -2.849 -9.138 145 1HB TRP 26 2HB TRP 26 -1.245 -2.046 -6.335 146 2HB TRP 26 1HB TRP 26 -0.643 -0.979 -7.592 147 HD1 TRP 26 HD TRP 26 -2.494 -2.675 -9.844 148 HE1 TRP 26 1HE TRP 26 -4.971 -1.987 -10.007 149 HE3 TRP 26 3HE TRP 26 -3.047 -0.292 -5.360 150 HZ2 TRP 26 2HZ TRP 26 -6.928 -0.605 -8.448 151 HZ3 TRP 26 3HZ TRP 26 -5.226 0.702 -4.726 152 HH2 TRP 26 HH TRP 26 -7.165 0.549 -6.263 153 H LYS 27 H LYS 27 -0.006 -4.508 -6.063 154 HA LYS 27 HA LYS 27 1.926 -5.282 -4.977 155 1HB LYS 27 2HB LYS 27 2.499 -5.346 -7.610 156 2HB LYS 27 1HB LYS 27 3.705 -4.169 -7.088 157 1HG LYS 27 2HG LYS 27 4.743 -6.321 -6.904 158 2HG LYS 27 1HG LYS 27 4.352 -5.815 -5.260 159 1HD LYS 27 2HD LYS 27 2.421 -7.231 -5.185 160 2HD LYS 27 1HD LYS 27 2.511 -7.552 -6.918 161 1HE LYS 27 2HE LYS 27 4.820 -8.581 -6.460 162 2HE LYS 27 1HE LYS 27 4.371 -8.543 -4.744 163 1HZ LYS 27 1HZ LYS 27 2.936 -9.898 -6.961 164 2HZ LYS 27 2HZ LYS 27 2.238 -9.641 -5.433 165 3HZ LYS 27 3HZ LYS 27 3.623 -10.613 -5.586 166 H TRP 28 H TRP 28 1.080 -2.142 -5.162 167 HA TRP 28 HA TRP 28 3.481 -1.314 -3.587 168 1HB TRP 28 2HB TRP 28 3.287 0.927 -4.607 169 2HB TRP 28 1HB TRP 28 3.574 -0.316 -5.813 170 HD1 TRP 28 HD TRP 28 0.306 1.084 -4.220 171 HE1 TRP 28 1HE TRP 28 -1.305 1.673 -6.145 172 HE3 TRP 28 3HE TRP 28 3.209 -0.175 -8.222 173 HZ2 TRP 28 2HZ TRP 28 -1.355 1.618 -9.000 174 HZ3 TRP 28 3HZ TRP 28 2.361 0.106 -10.534 175 HH2 TRP 28 HH TRP 28 0.081 1.000 -10.927 176 H CYS 29 H CYS 29 3.004 0.595 -2.154 177 HA CYS 29 HA CYS 29 0.661 0.029 -0.521 178 1HB CYS 29 2HB CYS 29 3.184 0.963 -0.134 179 2HB CYS 29 1HB CYS 29 2.287 2.479 -0.113 180 H VAL 30 H VAL 30 -1.297 1.035 -0.633 181 HA VAL 30 HA VAL 30 -1.509 3.691 -2.019 182 HB VAL 30 HB VAL 30 -3.611 2.884 -3.008 183 1HG1 VAL 30 1HG1 VAL 30 -1.257 2.320 -3.983 184 2HG1 VAL 30 2HG1 VAL 30 -2.676 1.518 -4.655 185 3HG1 VAL 30 3HG1 VAL 30 -1.644 0.667 -3.506 186 1HG2 VAL 30 1HG2 VAL 30 -3.155 0.657 -1.101 187 2HG2 VAL 30 2HG2 VAL 30 -3.759 0.185 -2.687 188 3HG2 VAL 30 3HG2 VAL 30 -4.667 1.332 -1.704 189 H TYR 31 H TYR 31 -3.654 4.784 -1.356 190 HA TYR 31 HA TYR 31 -3.833 5.172 1.432 191 1HB TYR 31 2HB TYR 31 -6.109 6.142 0.838 192 2HB TYR 31 1HB TYR 31 -4.779 6.739 -0.151 193 HD1 TYR 31 1HD TYR 31 -4.863 6.548 -2.493 194 HD2 TYR 31 2HD TYR 31 -7.460 4.117 -0.086 195 HE1 TYR 31 1HE TYR 31 -6.007 5.744 -4.540 196 HE2 TYR 31 2HE TYR 31 -8.604 3.313 -2.131 197 HH TYR 31 HH TYR 31 -7.503 3.291 -4.962 198 H ALA 32 H ALA 32 -5.440 4.450 2.995 199 HA ALA 32 HA ALA 32 -6.598 1.754 2.354 200 1HB ALA 32 1HB ALA 32 -6.359 2.018 5.124 201 2HB ALA 32 2HB ALA 32 -4.931 2.840 4.497 202 3HB ALA 32 3HB ALA 32 -5.239 1.158 4.067 203 H ARG 33 H ARG 33 -8.804 1.729 2.345 204 HA ARG 33 HA ARG 33 -10.279 3.890 3.806 205 1HB ARG 33 2HB ARG 33 -10.422 2.671 1.183 206 2HB ARG 33 1HB ARG 33 -11.966 2.490 2.017 207 1HG ARG 33 2HG ARG 33 -10.610 5.152 2.141 208 2HG ARG 33 1HG ARG 33 -11.403 4.696 0.634 209 1HD ARG 33 2HD ARG 33 -13.139 4.025 2.839 210 2HD ARG 33 1HD ARG 33 -12.644 5.723 2.975 211 HE ARG 33 HE ARG 33 -13.235 5.745 0.401 212 1HH1 ARG 33 1HH2 ARG 33 -14.473 3.072 0.307 213 2HH1 ARG 33 2HH2 ARG 33 -16.140 3.398 0.644 214 1HH2 ARG 33 1HH1 ARG 33 -15.531 6.558 1.956 215 2HH2 ARG 33 2HH1 ARG 33 -16.740 5.377 1.580 216 HA PRO 34 HA PRO 34 -11.545 0.546 6.492 217 1HB PRO 34 2HB PRO 34 -13.185 2.045 8.090 218 2HB PRO 34 1HB PRO 34 -11.415 2.057 8.233 219 1HG PRO 34 2HG PRO 34 -13.220 4.024 6.914 220 2HG PRO 34 1HG PRO 34 -11.759 4.299 7.877 221 1HD PRO 34 2HD PRO 34 -11.808 4.406 5.153 222 2HD PRO 34 1HD PRO 34 -10.364 3.970 6.093 Start of MODEL 10 1 1H GLY 1 1HT GLY 1 11.642 3.932 7.603 2 2H GLY 1 2HT GLY 1 10.204 3.055 7.371 3 3H GLY 1 3HT GLY 1 10.152 4.621 8.032 4 1HA GLY 1 2HA GLY 1 10.988 5.543 5.950 5 2HA GLY 1 1HA GLY 1 10.982 3.917 5.269 6 H CYS 2 H CYS 2 9.168 6.711 5.550 7 HA CYS 2 HA CYS 2 6.493 5.529 5.672 8 1HB CYS 2 2HB CYS 2 6.727 7.749 6.476 9 2HB CYS 2 1HB CYS 2 7.691 8.240 5.084 10 H GLY 3 H GLY 3 5.258 4.859 3.932 11 1HA GLY 3 2HA GLY 3 6.533 4.758 1.278 12 2HA GLY 3 1HA GLY 3 5.014 3.981 1.731 13 H GLY 4 H GLY 4 3.355 4.825 0.579 14 1HA GLY 4 2HA GLY 4 2.474 7.488 0.733 15 2HA GLY 4 1HA GLY 4 3.475 7.397 -0.717 16 H LEU 5 H LEU 5 2.015 7.379 -2.382 17 HA LEU 5 HA LEU 5 -0.412 5.665 -2.175 18 1HB LEU 5 2HB LEU 5 0.312 8.202 -3.323 19 2HB LEU 5 1HB LEU 5 -0.309 7.146 -4.594 20 HG LEU 5 HG LEU 5 -1.720 7.426 -1.943 21 1HD1 LEU 5 1HD1 LEU 5 -1.631 9.284 -4.262 22 2HD1 LEU 5 2HD1 LEU 5 -1.976 9.615 -2.564 23 3HD1 LEU 5 3HD1 LEU 5 -3.228 8.931 -3.600 24 1HD2 LEU 5 1HD2 LEU 5 -2.582 6.580 -4.729 25 2HD2 LEU 5 2HD2 LEU 5 -3.647 6.671 -3.326 26 3HD2 LEU 5 3HD2 LEU 5 -2.321 5.509 -3.353 27 H MET 6 H MET 6 2.736 5.467 -3.450 28 HA MET 6 HA MET 6 1.957 3.126 -5.092 29 1HB MET 6 2HB MET 6 2.025 5.434 -6.366 30 2HB MET 6 1HB MET 6 3.773 5.204 -6.290 31 1HG MET 6 2HG MET 6 3.706 3.260 -7.596 32 2HG MET 6 1HG MET 6 2.006 2.959 -7.234 33 1HE MET 6 1HE MET 6 0.084 5.273 -8.219 34 2HE MET 6 2HE MET 6 0.257 3.520 -8.224 35 3HE MET 6 3HE MET 6 0.014 4.378 -9.744 36 H ALA 7 H ALA 7 3.459 3.554 -2.561 37 HA ALA 7 HA ALA 7 6.307 3.265 -3.089 38 1HB ALA 7 1HB ALA 7 6.356 2.758 -0.672 39 2HB ALA 7 2HB ALA 7 4.604 2.558 -0.672 40 3HB ALA 7 3HB ALA 7 5.310 4.142 -0.986 41 H GLY 8 H GLY 8 7.451 1.357 -3.429 42 1HA GLY 8 2HA GLY 8 6.135 -0.997 -4.309 43 2HA GLY 8 1HA GLY 8 7.835 -0.922 -3.845 44 H CYS 9 H CYS 9 5.010 -2.448 -3.130 45 HA CYS 9 HA CYS 9 5.442 -2.630 -0.197 46 1HB CYS 9 2HB CYS 9 3.175 -2.322 -0.884 47 2HB CYS 9 1HB CYS 9 3.322 -3.526 -2.163 48 H ASP 10 H ASP 10 4.507 -5.191 -2.490 49 HA ASP 10 HA ASP 10 5.262 -7.413 -2.717 50 1HB ASP 10 2HB ASP 10 7.698 -5.669 -2.460 51 2HB ASP 10 1HB ASP 10 7.894 -7.415 -2.602 52 H GLY 11 H GLY 11 4.151 -7.788 -0.516 53 1HA GLY 11 2HA GLY 11 5.165 -9.607 1.105 54 2HA GLY 11 1HA GLY 11 6.080 -8.217 1.697 55 H LYS 12 H LYS 12 3.400 -9.998 2.322 56 HA LYS 12 HA LYS 12 1.340 -8.094 2.868 57 1HB LYS 12 2HB LYS 12 2.104 -10.814 3.937 58 2HB LYS 12 1HB LYS 12 0.643 -9.986 4.476 59 1HG LYS 12 2HG LYS 12 -0.448 -10.400 2.531 60 2HG LYS 12 1HG LYS 12 0.963 -9.989 1.555 61 1HD LYS 12 2HD LYS 12 1.027 -12.540 3.120 62 2HD LYS 12 1HD LYS 12 0.045 -12.487 1.656 63 1HE LYS 12 2HE LYS 12 1.972 -12.937 0.526 64 2HE LYS 12 1HE LYS 12 2.453 -11.270 0.896 65 1HZ LYS 12 1HZ LYS 12 2.900 -13.643 2.634 66 2HZ LYS 12 2HZ LYS 12 3.305 -12.043 3.039 67 3HZ LYS 12 3HZ LYS 12 4.093 -12.821 1.751 68 H SER 13 H SER 13 4.369 -8.609 4.464 69 HA SER 13 HA SER 13 3.398 -7.295 6.973 70 1HB SER 13 2HB SER 13 4.709 -9.536 6.847 71 2HB SER 13 1HB SER 13 6.109 -8.533 6.472 72 HG SER 13 HG SER 13 6.215 -8.336 8.568 73 H THR 14 H THR 14 3.997 -5.918 4.313 74 HA THR 14 HA THR 14 6.495 -4.482 4.561 75 HB THR 14 HB THR 14 5.094 -4.866 2.487 76 HG1 THR 14 1HG THR 14 6.526 -3.335 2.123 77 1HG2 THR 14 1HG2 THR 14 2.878 -4.427 3.186 78 2HG2 THR 14 2HG2 THR 14 3.293 -3.042 2.174 79 3HG2 THR 14 3HG2 THR 14 3.325 -2.893 3.931 80 H PHE 15 H PHE 15 6.195 -1.876 4.542 81 HA PHE 15 HA PHE 15 4.404 -1.098 6.810 82 1HB PHE 15 2HB PHE 15 6.392 0.189 7.711 83 2HB PHE 15 1HB PHE 15 6.573 -1.560 7.772 84 HD1 PHE 15 1HD PHE 15 7.687 1.546 6.130 85 HD2 PHE 15 2HD PHE 15 8.131 -2.725 6.274 86 HE1 PHE 15 1HE PHE 15 9.766 1.715 4.787 87 HE2 PHE 15 2HE PHE 15 10.208 -2.553 4.930 88 HZ PHE 15 HZ PHE 15 11.025 -0.335 4.186 89 H CYS 16 H CYS 16 3.671 1.052 6.727 90 HA CYS 16 HA CYS 16 4.536 2.691 4.369 91 1HB CYS 16 2HB CYS 16 2.174 1.287 4.586 92 2HB CYS 16 1HB CYS 16 1.706 2.878 5.185 93 H CYS 17 H CYS 17 2.716 4.840 4.974 94 HA CYS 17 HA CYS 17 4.186 6.142 7.144 95 1HB CYS 17 2HB CYS 17 2.781 6.867 4.822 96 2HB CYS 17 1HB CYS 17 1.835 7.537 6.150 97 H SER 18 H SER 18 0.660 5.902 6.615 98 HA SER 18 HA SER 18 0.123 4.785 9.251 99 1HB SER 18 2HB SER 18 -1.023 6.945 10.025 100 2HB SER 18 1HB SER 18 0.739 6.973 10.007 101 HG SER 18 HG SER 18 -1.068 8.412 8.542 102 H GLY 19 H GLY 19 -1.251 6.898 6.721 103 1HA GLY 19 2HA GLY 19 -3.804 5.369 6.872 104 2HA GLY 19 1HA GLY 19 -3.616 6.961 6.136 105 H TYR 20 H TYR 20 -1.225 4.481 5.488 106 HA TYR 20 HA TYR 20 -2.381 4.149 2.737 107 1HB TYR 20 2HB TYR 20 0.459 4.524 3.726 108 2HB TYR 20 1HB TYR 20 0.099 3.933 2.105 109 HD1 TYR 20 1HD TYR 20 -1.744 5.369 0.802 110 HD2 TYR 20 2HD TYR 20 0.709 6.836 4.010 111 HE1 TYR 20 1HE TYR 20 -2.129 7.692 0.032 112 HE2 TYR 20 2HE TYR 20 0.324 9.162 3.236 113 HH TYR 20 HH TYR 20 -1.966 10.179 1.570 114 H ASN 21 H ASN 21 -2.743 2.031 2.178 115 HA ASN 21 HA ASN 21 -1.482 -0.122 3.853 116 1HB ASN 21 2HB ASN 21 -4.100 0.515 3.644 117 2HB ASN 21 1HB ASN 21 -3.967 -0.582 2.270 118 1HD2 ASN 21 1HD2 ASN 21 -4.253 -2.757 2.793 119 2HD2 ASN 21 2HD2 ASN 21 -3.995 -3.430 4.328 120 H CYS 22 H CYS 22 -1.112 -2.190 2.638 121 HA CYS 22 HA CYS 22 0.017 -1.644 -0.044 122 1HB CYS 22 2HB CYS 22 1.372 -2.850 1.521 123 2HB CYS 22 1HB CYS 22 0.051 -3.943 1.927 124 H SER 23 H SER 23 -0.851 -2.425 -1.963 125 HA SER 23 HA SER 23 -3.512 -3.741 -1.838 126 1HB SER 23 2HB SER 23 -2.692 -1.692 -3.299 127 2HB SER 23 1HB SER 23 -2.074 -2.955 -4.359 128 HG SER 23 HG SER 23 -4.057 -3.513 -4.854 129 HA PRO 24 HA PRO 24 -1.753 -7.686 -2.777 130 1HB PRO 24 2HB PRO 24 -4.011 -8.946 -3.668 131 2HB PRO 24 1HB PRO 24 -3.708 -8.599 -1.955 132 1HG PRO 24 2HG PRO 24 -5.447 -7.171 -3.897 133 2HG PRO 24 1HG PRO 24 -5.701 -7.493 -2.176 134 1HD PRO 24 2HD PRO 24 -4.881 -5.081 -3.179 135 2HD PRO 24 1HD PRO 24 -4.541 -5.640 -1.528 136 H THR 25 H THR 25 -3.428 -5.780 -5.216 137 HA THR 25 HA THR 25 -2.286 -7.502 -7.384 138 HB THR 25 HB THR 25 -4.469 -5.396 -7.423 139 HG1 THR 25 1HG THR 25 -4.671 -8.221 -7.542 140 1HG2 THR 25 1HG2 THR 25 -3.378 -7.299 -9.494 141 2HG2 THR 25 2HG2 THR 25 -3.607 -5.555 -9.625 142 3HG2 THR 25 3HG2 THR 25 -5.005 -6.630 -9.617 143 H TRP 26 H TRP 26 -2.540 -4.121 -6.291 144 HA TRP 26 HA TRP 26 -1.018 -3.008 -8.500 145 1HB TRP 26 2HB TRP 26 -1.545 -1.929 -5.714 146 2HB TRP 26 1HB TRP 26 -1.072 -0.986 -7.119 147 HD1 TRP 26 HD TRP 26 -3.109 -2.929 -8.989 148 HE1 TRP 26 1HE TRP 26 -5.592 -2.272 -8.994 149 HE3 TRP 26 3HE TRP 26 -3.272 -0.031 -4.784 150 HZ2 TRP 26 2HZ TRP 26 -7.415 -0.707 -7.441 151 HZ3 TRP 26 3HZ TRP 26 -5.396 1.031 -4.074 152 HH2 TRP 26 HH TRP 26 -7.466 0.697 -5.396 153 H LYS 27 H LYS 27 -0.130 -4.583 -5.525 154 HA LYS 27 HA LYS 27 1.970 -5.164 -4.659 155 1HB LYS 27 2HB LYS 27 2.360 -4.555 -7.516 156 2HB LYS 27 1HB LYS 27 3.828 -4.417 -6.550 157 1HG LYS 27 2HG LYS 27 1.990 -6.810 -6.364 158 2HG LYS 27 1HG LYS 27 3.327 -6.733 -7.512 159 1HD LYS 27 2HD LYS 27 4.900 -7.015 -5.895 160 2HD LYS 27 1HD LYS 27 4.049 -5.972 -4.755 161 1HE LYS 27 2HE LYS 27 3.615 -7.945 -3.665 162 2HE LYS 27 1HE LYS 27 2.340 -8.121 -4.886 163 1HZ LYS 27 1HZ LYS 27 3.513 -10.020 -5.289 164 2HZ LYS 27 2HZ LYS 27 4.994 -9.362 -4.777 165 3HZ LYS 27 3HZ LYS 27 4.370 -8.970 -6.311 166 H TRP 28 H TRP 28 0.873 -2.156 -4.667 167 HA TRP 28 HA TRP 28 3.341 -1.134 -3.365 168 1HB TRP 28 2HB TRP 28 3.145 1.011 -4.546 169 2HB TRP 28 1HB TRP 28 3.355 -0.308 -5.685 170 HD1 TRP 28 HD TRP 28 0.221 1.325 -4.047 171 HE1 TRP 28 1HE TRP 28 -1.475 1.807 -5.929 172 HE3 TRP 28 3HE TRP 28 2.838 -0.397 -8.070 173 HZ2 TRP 28 2HZ TRP 28 -1.691 1.513 -8.757 174 HZ3 TRP 28 3HZ TRP 28 1.873 -0.278 -10.348 175 HH2 TRP 28 HH TRP 28 -0.390 0.673 -10.696 176 H CYS 29 H CYS 29 2.883 0.771 -1.959 177 HA CYS 29 HA CYS 29 0.523 0.314 -0.341 178 1HB CYS 29 2HB CYS 29 3.011 1.325 0.046 179 2HB CYS 29 1HB CYS 29 2.093 2.824 -0.074 180 H VAL 30 H VAL 30 -1.384 1.459 -0.294 181 HA VAL 30 HA VAL 30 -1.686 3.886 -2.026 182 HB VAL 30 HB VAL 30 -3.977 2.856 -2.604 183 1HG1 VAL 30 1HG1 VAL 30 -1.882 1.050 -3.693 184 2HG1 VAL 30 2HG1 VAL 30 -1.644 2.783 -3.924 185 3HG1 VAL 30 3HG1 VAL 30 -3.102 2.002 -4.537 186 1HG2 VAL 30 1HG2 VAL 30 -2.654 0.243 -1.875 187 2HG2 VAL 30 2HG2 VAL 30 -4.352 0.554 -2.237 188 3HG2 VAL 30 3HG2 VAL 30 -3.661 1.103 -0.710 189 H TYR 31 H TYR 31 -4.114 4.739 -1.481 190 HA TYR 31 HA TYR 31 -4.129 5.616 1.227 191 1HB TYR 31 2HB TYR 31 -5.287 6.625 -0.766 192 2HB TYR 31 1HB TYR 31 -6.463 5.314 -0.696 193 HD1 TYR 31 1HD TYR 31 -8.488 5.994 0.220 194 HD2 TYR 31 2HD TYR 31 -4.826 7.535 1.862 195 HE1 TYR 31 1HE TYR 31 -9.779 7.235 1.936 196 HE2 TYR 31 2HE TYR 31 -6.117 8.775 3.576 197 HH TYR 31 HH TYR 31 -9.075 8.138 4.465 198 H ALA 32 H ALA 32 -5.510 4.971 3.008 199 HA ALA 32 HA ALA 32 -6.025 2.062 3.107 200 1HB ALA 32 1HB ALA 32 -4.914 2.963 4.995 201 2HB ALA 32 2HB ALA 32 -6.583 2.788 5.541 202 3HB ALA 32 3HB ALA 32 -5.977 4.371 5.052 203 H ARG 33 H ARG 33 -8.008 1.255 2.622 204 HA ARG 33 HA ARG 33 -10.459 2.678 3.467 205 1HB ARG 33 2HB ARG 33 -11.343 2.672 1.141 206 2HB ARG 33 1HB ARG 33 -9.885 3.652 1.278 207 1HG ARG 33 2HG ARG 33 -8.802 1.219 0.685 208 2HG ARG 33 1HG ARG 33 -10.328 1.120 -0.193 209 1HD ARG 33 2HD ARG 33 -9.674 2.681 -1.727 210 2HD ARG 33 1HD ARG 33 -8.915 3.706 -0.493 211 HE ARG 33 HE ARG 33 -6.882 2.632 -1.005 212 1HH1 ARG 33 1HH2 ARG 33 -8.639 1.401 -3.362 213 2HH1 ARG 33 2HH2 ARG 33 -8.088 -0.239 -3.274 214 1HH2 ARG 33 1HH1 ARG 33 -6.554 0.164 -0.181 215 2HH2 ARG 33 2HH1 ARG 33 -6.902 -0.942 -1.469 216 HA PRO 34 HA PRO 34 -11.626 -1.557 4.006 217 1HB PRO 34 2HB PRO 34 -14.319 -1.211 4.351 218 2HB PRO 34 1HB PRO 34 -13.122 -0.803 5.596 219 1HG PRO 34 2HG PRO 34 -14.549 0.980 3.689 220 2HG PRO 34 1HG PRO 34 -14.129 1.249 5.387 221 1HD PRO 34 2HD PRO 34 -12.736 2.321 3.301 222 2HD PRO 34 1HD PRO 34 -12.015 1.964 4.886 Start of MODEL 11 1 1H GLY 1 1HT GLY 1 10.487 6.316 6.480 2 2H GLY 1 2HT GLY 1 11.908 5.410 6.689 3 3H GLY 1 3HT GLY 1 10.634 5.263 7.803 4 1HA GLY 1 2HA GLY 1 10.746 4.299 5.006 5 2HA GLY 1 1HA GLY 1 10.483 3.355 6.473 6 H CYS 2 H CYS 2 9.021 5.882 4.441 7 HA CYS 2 HA CYS 2 6.322 5.005 5.429 8 1HB CYS 2 2HB CYS 2 6.697 7.200 6.234 9 2HB CYS 2 1HB CYS 2 7.526 7.692 4.759 10 H GLY 3 H GLY 3 4.682 4.821 3.809 11 1HA GLY 3 2HA GLY 3 5.653 4.233 1.119 12 2HA GLY 3 1HA GLY 3 3.983 4.088 1.672 13 H GLY 4 H GLY 4 3.203 5.173 -0.229 14 1HA GLY 4 2HA GLY 4 2.783 7.965 0.023 15 2HA GLY 4 1HA GLY 4 4.120 7.740 -1.103 16 H LEU 5 H LEU 5 1.148 5.825 -0.602 17 HA LEU 5 HA LEU 5 -0.649 5.350 -2.045 18 1HB LEU 5 2HB LEU 5 0.125 7.966 -2.570 19 2HB LEU 5 1HB LEU 5 0.101 7.214 -4.167 20 HG LEU 5 HG LEU 5 -2.180 6.512 -2.423 21 1HD1 LEU 5 1HD1 LEU 5 -3.318 8.618 -2.636 22 2HD1 LEU 5 2HD1 LEU 5 -2.026 9.281 -3.638 23 3HD1 LEU 5 3HD1 LEU 5 -1.739 8.957 -1.928 24 1HD2 LEU 5 1HD2 LEU 5 -3.141 6.127 -4.440 25 2HD2 LEU 5 2HD2 LEU 5 -1.521 6.330 -5.104 26 3HD2 LEU 5 3HD2 LEU 5 -2.638 7.694 -5.073 27 H MET 6 H MET 6 2.612 5.012 -2.973 28 HA MET 6 HA MET 6 1.883 2.943 -4.954 29 1HB MET 6 2HB MET 6 2.940 5.611 -5.562 30 2HB MET 6 1HB MET 6 3.943 4.321 -6.226 31 1HG MET 6 2HG MET 6 2.247 3.521 -7.596 32 2HG MET 6 1HG MET 6 0.970 4.144 -6.554 33 1HE MET 6 1HE MET 6 0.486 7.727 -7.379 34 2HE MET 6 2HE MET 6 1.376 7.079 -6.004 35 3HE MET 6 3HE MET 6 -0.060 6.242 -6.587 36 H ALA 7 H ALA 7 3.243 3.221 -2.223 37 HA ALA 7 HA ALA 7 6.066 2.782 -2.479 38 1HB ALA 7 1HB ALA 7 3.928 2.527 -0.453 39 2HB ALA 7 2HB ALA 7 5.540 3.224 -0.306 40 3HB ALA 7 3HB ALA 7 5.321 1.479 -0.183 41 H GLY 8 H GLY 8 6.946 1.108 -3.615 42 1HA GLY 8 2HA GLY 8 5.649 -1.258 -4.436 43 2HA GLY 8 1HA GLY 8 7.400 -1.085 -4.311 44 H CYS 9 H CYS 9 4.888 -2.913 -3.235 45 HA CYS 9 HA CYS 9 5.662 -3.270 -0.437 46 1HB CYS 9 2HB CYS 9 3.774 -4.558 -2.404 47 2HB CYS 9 1HB CYS 9 4.065 -5.310 -0.837 48 H ASP 10 H ASP 10 5.460 -5.766 -2.978 49 HA ASP 10 HA ASP 10 6.812 -7.658 -3.379 50 1HB ASP 10 2HB ASP 10 8.155 -5.412 -3.918 51 2HB ASP 10 1HB ASP 10 9.171 -5.980 -2.594 52 H GLY 11 H GLY 11 5.701 -7.983 -0.969 53 1HA GLY 11 2HA GLY 11 7.030 -9.783 0.520 54 2HA GLY 11 1HA GLY 11 7.757 -8.286 1.120 55 H LYS 12 H LYS 12 5.418 -10.428 1.857 56 HA LYS 12 HA LYS 12 3.083 -8.870 2.425 57 1HB LYS 12 2HB LYS 12 4.317 -11.359 3.625 58 2HB LYS 12 1HB LYS 12 2.715 -10.777 4.075 59 1HG LYS 12 2HG LYS 12 1.780 -11.486 2.133 60 2HG LYS 12 1HG LYS 12 3.153 -10.938 1.170 61 1HD LYS 12 2HD LYS 12 3.537 -13.311 2.956 62 2HD LYS 12 1HD LYS 12 2.637 -13.530 1.455 63 1HE LYS 12 2HE LYS 12 4.702 -13.808 0.509 64 2HE LYS 12 1HE LYS 12 4.812 -12.040 0.613 65 1HZ LYS 12 1HZ LYS 12 5.597 -13.923 2.780 66 2HZ LYS 12 2HZ LYS 12 5.762 -12.231 2.808 67 3HZ LYS 12 3HZ LYS 12 6.685 -13.159 1.727 68 H SER 13 H SER 13 6.191 -8.870 3.929 69 HA SER 13 HA SER 13 5.172 -7.842 6.515 70 1HB SER 13 2HB SER 13 7.534 -9.176 5.431 71 2HB SER 13 1HB SER 13 7.968 -7.819 6.467 72 HG SER 13 HG SER 13 6.750 -10.223 7.069 73 H THR 14 H THR 14 5.389 -6.371 3.660 74 HA THR 14 HA THR 14 7.199 -4.154 4.110 75 HB THR 14 HB THR 14 6.311 -5.030 1.902 76 HG1 THR 14 1HG THR 14 7.016 -3.134 1.386 77 1HG2 THR 14 1HG2 THR 14 4.108 -4.694 1.238 78 2HG2 THR 14 2HG2 THR 14 3.855 -3.374 2.379 79 3HG2 THR 14 3HG2 THR 14 3.889 -5.041 2.952 80 H PHE 15 H PHE 15 6.698 -2.040 4.856 81 HA PHE 15 HA PHE 15 4.003 -1.710 6.140 82 1HB PHE 15 2HB PHE 15 6.027 -2.222 7.623 83 2HB PHE 15 1HB PHE 15 6.644 -0.636 7.159 84 HD1 PHE 15 1HD PHE 15 3.534 -2.261 8.490 85 HD2 PHE 15 2HD PHE 15 6.025 1.239 8.411 86 HE1 PHE 15 1HE PHE 15 2.091 -1.195 10.202 87 HE2 PHE 15 2HE PHE 15 4.582 2.303 10.123 88 HZ PHE 15 HZ PHE 15 2.616 1.087 11.019 89 H CYS 16 H CYS 16 2.997 0.234 5.751 90 HA CYS 16 HA CYS 16 4.382 2.180 3.958 91 1HB CYS 16 2HB CYS 16 1.465 1.813 4.730 92 2HB CYS 16 1HB CYS 16 2.068 2.876 3.458 93 H CYS 17 H CYS 17 2.559 4.362 4.669 94 HA CYS 17 HA CYS 17 3.995 5.416 6.988 95 1HB CYS 17 2HB CYS 17 2.609 6.382 4.729 96 2HB CYS 17 1HB CYS 17 1.702 6.964 6.126 97 H SER 18 H SER 18 0.466 5.450 6.436 98 HA SER 18 HA SER 18 -0.129 3.998 8.902 99 1HB SER 18 2HB SER 18 0.323 6.875 8.887 100 2HB SER 18 1HB SER 18 -1.295 6.486 9.463 101 HG SER 18 HG SER 18 1.128 6.093 10.640 102 H GLY 19 H GLY 19 -1.365 6.391 6.562 103 1HA GLY 19 2HA GLY 19 -4.031 5.068 6.658 104 2HA GLY 19 1HA GLY 19 -3.716 6.670 5.989 105 H TYR 20 H TYR 20 -1.604 3.955 5.294 106 HA TYR 20 HA TYR 20 -2.675 3.883 2.487 107 1HB TYR 20 2HB TYR 20 0.142 3.900 3.610 108 2HB TYR 20 1HB TYR 20 -0.200 3.400 1.956 109 HD1 TYR 20 1HD TYR 20 0.966 6.064 3.722 110 HD2 TYR 20 2HD TYR 20 -2.122 5.159 0.879 111 HE1 TYR 20 1HE TYR 20 0.927 8.438 3.009 112 HE2 TYR 20 2HE TYR 20 -2.164 7.532 0.167 113 HH TYR 20 HH TYR 20 -1.160 9.955 1.784 114 H ASN 21 H ASN 21 -3.193 1.826 1.787 115 HA ASN 21 HA ASN 21 -2.327 -0.498 3.475 116 1HB ASN 21 2HB ASN 21 -4.779 0.103 3.230 117 2HB ASN 21 1HB ASN 21 -4.634 -0.275 1.514 118 1HD2 ASN 21 1HD2 ASN 21 -5.070 -2.426 0.977 119 2HD2 ASN 21 2HD2 ASN 21 -5.003 -3.730 2.061 120 H CYS 22 H CYS 22 -1.502 -2.381 2.378 121 HA CYS 22 HA CYS 22 -0.216 -1.792 -0.215 122 1HB CYS 22 2HB CYS 22 1.066 -2.809 1.592 123 2HB CYS 22 1HB CYS 22 -0.096 -4.129 1.714 124 H SER 23 H SER 23 -0.819 -2.667 -2.157 125 HA SER 23 HA SER 23 -3.213 -4.456 -2.200 126 1HB SER 23 2HB SER 23 -2.080 -2.278 -3.850 127 2HB SER 23 1HB SER 23 -2.736 -3.624 -4.777 128 HG SER 23 HG SER 23 -4.634 -2.885 -4.296 129 HA PRO 24 HA PRO 24 -0.387 -7.694 -3.350 130 1HB PRO 24 2HB PRO 24 -2.261 -9.602 -3.914 131 2HB PRO 24 1HB PRO 24 -1.813 -9.143 -2.259 132 1HG PRO 24 2HG PRO 24 -4.181 -8.339 -3.870 133 2HG PRO 24 1HG PRO 24 -4.064 -8.711 -2.144 134 1HD PRO 24 2HD PRO 24 -4.178 -6.171 -3.142 135 2HD PRO 24 1HD PRO 24 -3.405 -6.593 -1.599 136 H THR 25 H THR 25 -3.104 -6.713 -5.408 137 HA THR 25 HA THR 25 -2.064 -8.067 -7.791 138 HB THR 25 HB THR 25 -4.213 -5.952 -7.435 139 HG1 THR 25 1HG THR 25 -5.247 -7.511 -6.518 140 1HG2 THR 25 1HG2 THR 25 -5.075 -7.290 -9.526 141 2HG2 THR 25 2HG2 THR 25 -3.379 -7.741 -9.699 142 3HG2 THR 25 3HG2 THR 25 -3.847 -6.041 -9.735 143 H TRP 26 H TRP 26 -1.944 -4.805 -6.424 144 HA TRP 26 HA TRP 26 -0.651 -3.706 -8.855 145 1HB TRP 26 2HB TRP 26 -1.336 -2.500 -6.154 146 2HB TRP 26 1HB TRP 26 -0.807 -1.600 -7.570 147 HD1 TRP 26 HD TRP 26 -2.677 -3.692 -9.465 148 HE1 TRP 26 1HE TRP 26 -5.173 -3.090 -9.651 149 HE3 TRP 26 3HE TRP 26 -3.150 -0.620 -5.413 150 HZ2 TRP 26 2HZ TRP 26 -7.116 -1.512 -8.269 151 HZ3 TRP 26 3HZ TRP 26 -5.334 0.419 -4.872 152 HH2 TRP 26 HH TRP 26 -7.316 -0.024 -6.295 153 H LYS 27 H LYS 27 0.270 -5.092 -5.812 154 HA LYS 27 HA LYS 27 2.385 -5.546 -4.901 155 1HB LYS 27 2HB LYS 27 2.780 -5.780 -7.470 156 2HB LYS 27 1HB LYS 27 3.608 -4.230 -7.318 157 1HG LYS 27 2HG LYS 27 5.362 -5.724 -6.963 158 2HG LYS 27 1HG LYS 27 4.837 -5.401 -5.310 159 1HD LYS 27 2HD LYS 27 3.636 -7.451 -5.177 160 2HD LYS 27 1HD LYS 27 3.720 -7.702 -6.921 161 1HE LYS 27 2HE LYS 27 6.272 -7.508 -5.326 162 2HE LYS 27 1HE LYS 27 5.378 -9.039 -5.392 163 1HZ LYS 27 1HZ LYS 27 6.953 -8.865 -7.231 164 2HZ LYS 27 2HZ LYS 27 6.215 -7.426 -7.749 165 3HZ LYS 27 3HZ LYS 27 5.358 -8.892 -7.804 166 H TRP 28 H TRP 28 1.024 -2.673 -4.862 167 HA TRP 28 HA TRP 28 3.322 -1.449 -3.445 168 1HB TRP 28 2HB TRP 28 3.099 0.656 -4.657 169 2HB TRP 28 1HB TRP 28 3.379 -0.650 -5.798 170 HD1 TRP 28 HD TRP 28 0.118 0.776 -4.215 171 HE1 TRP 28 1HE TRP 28 -1.553 1.208 -6.131 172 HE3 TRP 28 3HE TRP 28 2.973 -0.592 -8.210 173 HZ2 TRP 28 2HZ TRP 28 -1.661 1.018 -8.978 174 HZ3 TRP 28 3HZ TRP 28 2.071 -0.448 -10.515 175 HH2 TRP 28 HH TRP 28 -0.242 0.355 -10.903 176 H CYS 29 H CYS 29 2.567 0.545 -2.194 177 HA CYS 29 HA CYS 29 0.091 -0.139 -0.770 178 1HB CYS 29 2HB CYS 29 2.497 0.785 -0.019 179 2HB CYS 29 1HB CYS 29 1.667 2.329 -0.211 180 H VAL 30 H VAL 30 -1.712 1.261 -0.540 181 HA VAL 30 HA VAL 30 -1.876 3.648 -2.332 182 HB VAL 30 HB VAL 30 -4.119 2.799 -3.078 183 1HG1 VAL 30 1HG1 VAL 30 -2.106 0.645 -3.659 184 2HG1 VAL 30 2HG1 VAL 30 -1.815 2.293 -4.214 185 3HG1 VAL 30 3HG1 VAL 30 -3.250 1.422 -4.752 186 1HG2 VAL 30 1HG2 VAL 30 -3.809 1.039 -0.924 187 2HG2 VAL 30 2HG2 VAL 30 -3.616 0.018 -2.348 188 3HG2 VAL 30 3HG2 VAL 30 -5.080 0.979 -2.143 189 H TYR 31 H TYR 31 -4.189 4.720 -1.803 190 HA TYR 31 HA TYR 31 -4.172 5.556 0.915 191 1HB TYR 31 2HB TYR 31 -6.299 6.618 0.336 192 2HB TYR 31 1HB TYR 31 -5.202 6.739 -1.036 193 HD1 TYR 31 1HD TYR 31 -5.628 5.547 -3.101 194 HD2 TYR 31 2HD TYR 31 -8.184 4.997 0.309 195 HE1 TYR 31 1HE TYR 31 -7.290 4.394 -4.533 196 HE2 TYR 31 2HE TYR 31 -9.845 3.841 -1.124 197 HH TYR 31 HH TYR 31 -10.163 4.067 -4.115 198 H ALA 32 H ALA 32 -5.585 5.018 2.684 199 HA ALA 32 HA ALA 32 -6.999 2.380 2.426 200 1HB ALA 32 1HB ALA 32 -4.740 2.368 3.578 201 2HB ALA 32 2HB ALA 32 -6.070 1.785 4.578 202 3HB ALA 32 3HB ALA 32 -5.439 3.414 4.813 203 H ARG 33 H ARG 33 -9.119 2.509 3.037 204 HA ARG 33 HA ARG 33 -9.955 4.335 5.207 205 1HB ARG 33 2HB ARG 33 -9.896 5.268 2.631 206 2HB ARG 33 1HB ARG 33 -11.541 4.638 2.727 207 1HG ARG 33 2HG ARG 33 -12.144 6.100 4.449 208 2HG ARG 33 1HG ARG 33 -10.473 6.351 4.953 209 1HD ARG 33 2HD ARG 33 -10.859 8.355 3.824 210 2HD ARG 33 1HD ARG 33 -10.269 7.362 2.477 211 HE ARG 33 HE ARG 33 -13.165 7.833 3.075 212 1HH1 ARG 33 1HH2 ARG 33 -11.778 9.091 0.693 213 2HH1 ARG 33 2HH2 ARG 33 -12.221 8.004 -0.582 214 1HH2 ARG 33 1HH1 ARG 33 -13.222 5.466 1.574 215 2HH2 ARG 33 2HH1 ARG 33 -13.042 5.946 -0.081 216 HA PRO 34 HA PRO 34 -12.616 0.812 5.700 217 1HB PRO 34 2HB PRO 34 -14.186 1.841 7.699 218 2HB PRO 34 1HB PRO 34 -12.539 1.233 7.972 219 1HG PRO 34 2HG PRO 34 -13.492 4.039 7.652 220 2HG PRO 34 1HG PRO 34 -12.281 3.379 8.763 221 1HD PRO 34 2HD PRO 34 -11.627 4.708 6.492 222 2HD PRO 34 1HD PRO 34 -10.614 3.421 7.185 Start of MODEL 12 1 1H GLY 1 1HT GLY 1 7.256 1.462 5.651 2 2H GLY 1 2HT GLY 1 8.757 0.731 5.334 3 3H GLY 1 3HT GLY 1 8.005 1.682 4.145 4 1HA GLY 1 2HA GLY 1 8.819 2.786 6.771 5 2HA GLY 1 1HA GLY 1 9.906 2.757 5.382 6 H CYS 2 H CYS 2 6.444 3.526 5.897 7 HA CYS 2 HA CYS 2 5.142 5.324 5.114 8 1HB CYS 2 2HB CYS 2 6.913 6.344 6.675 9 2HB CYS 2 1HB CYS 2 7.751 6.852 5.208 10 H GLY 3 H GLY 3 5.090 4.097 2.988 11 1HA GLY 3 2HA GLY 3 6.833 5.088 0.844 12 2HA GLY 3 1HA GLY 3 5.515 3.930 0.659 13 H GLY 4 H GLY 4 3.294 4.803 0.664 14 1HA GLY 4 2HA GLY 4 2.296 7.310 0.787 15 2HA GLY 4 1HA GLY 4 3.183 7.398 -0.737 16 H LEU 5 H LEU 5 1.619 7.329 -2.306 17 HA LEU 5 HA LEU 5 -0.582 5.325 -2.040 18 1HB LEU 5 2HB LEU 5 -0.500 8.026 -2.683 19 2HB LEU 5 1HB LEU 5 -0.703 7.239 -4.250 20 HG LEU 5 HG LEU 5 -2.372 6.167 -2.045 21 1HD1 LEU 5 1HD1 LEU 5 -2.409 8.654 -1.686 22 2HD1 LEU 5 2HD1 LEU 5 -3.977 7.981 -2.129 23 3HD1 LEU 5 3HD1 LEU 5 -3.011 8.836 -3.332 24 1HD2 LEU 5 1HD2 LEU 5 -2.729 6.870 -4.969 25 2HD2 LEU 5 2HD2 LEU 5 -4.056 6.294 -3.959 26 3HD2 LEU 5 3HD2 LEU 5 -2.656 5.262 -4.247 27 H MET 6 H MET 6 2.414 5.653 -3.571 28 HA MET 6 HA MET 6 1.757 3.460 -5.455 29 1HB MET 6 2HB MET 6 1.430 5.796 -6.507 30 2HB MET 6 1HB MET 6 3.183 5.958 -6.395 31 1HG MET 6 2HG MET 6 3.579 4.311 -7.971 32 2HG MET 6 1HG MET 6 2.074 3.463 -7.616 33 1HE MET 6 1HE MET 6 0.412 3.919 -10.596 34 2HE MET 6 2HE MET 6 -0.437 4.249 -9.088 35 3HE MET 6 3HE MET 6 0.856 3.053 -9.120 36 H ALA 7 H ALA 7 3.371 3.709 -2.992 37 HA ALA 7 HA ALA 7 6.195 3.842 -3.697 38 1HB ALA 7 1HB ALA 7 6.184 2.621 -1.326 39 2HB ALA 7 2HB ALA 7 4.488 3.101 -1.346 40 3HB ALA 7 3HB ALA 7 5.752 4.324 -1.467 41 H GLY 8 H GLY 8 7.352 1.609 -2.601 42 1HA GLY 8 2HA GLY 8 6.330 -0.597 -4.350 43 2HA GLY 8 1HA GLY 8 8.041 -0.340 -4.012 44 H CYS 9 H CYS 9 4.996 -1.475 -2.679 45 HA CYS 9 HA CYS 9 6.371 -2.420 -0.208 46 1HB CYS 9 2HB CYS 9 4.127 -2.628 0.652 47 2HB CYS 9 1HB CYS 9 4.202 -1.099 -0.220 48 H ASP 10 H ASP 10 7.310 -3.839 -2.331 49 HA ASP 10 HA ASP 10 5.723 -6.159 -3.050 50 1HB ASP 10 2HB ASP 10 7.549 -5.239 -4.427 51 2HB ASP 10 1HB ASP 10 8.709 -5.592 -3.144 52 H GLY 11 H GLY 11 5.046 -7.328 -1.228 53 1HA GLY 11 2HA GLY 11 6.375 -9.378 -0.092 54 2HA GLY 11 1HA GLY 11 6.992 -8.035 0.872 55 H LYS 12 H LYS 12 4.807 -10.393 1.037 56 HA LYS 12 HA LYS 12 2.341 -9.142 1.796 57 1HB LYS 12 2HB LYS 12 2.039 -11.379 3.009 58 2HB LYS 12 1HB LYS 12 2.394 -11.477 1.286 59 1HG LYS 12 2HG LYS 12 4.272 -12.650 1.694 60 2HG LYS 12 1HG LYS 12 4.866 -11.388 2.771 61 1HD LYS 12 2HD LYS 12 3.719 -12.342 4.657 62 2HD LYS 12 1HD LYS 12 2.843 -13.472 3.625 63 1HE LYS 12 2HE LYS 12 4.813 -14.517 4.826 64 2HE LYS 12 1HE LYS 12 4.926 -14.637 3.060 65 1HZ LYS 12 1HZ LYS 12 6.030 -12.303 4.503 66 2HZ LYS 12 2HZ LYS 12 6.420 -12.873 2.951 67 3HZ LYS 12 3HZ LYS 12 6.944 -13.719 4.326 68 H SER 13 H SER 13 5.385 -9.224 3.423 69 HA SER 13 HA SER 13 4.093 -8.599 6.052 70 1HB SER 13 2HB SER 13 5.804 -10.503 5.671 71 2HB SER 13 1HB SER 13 7.003 -9.224 5.511 72 HG SER 13 HG SER 13 5.546 -10.074 7.731 73 H THR 14 H THR 14 4.422 -6.683 3.741 74 HA THR 14 HA THR 14 6.493 -4.796 4.751 75 HB THR 14 HB THR 14 6.167 -5.450 2.300 76 HG1 THR 14 1HG THR 14 6.825 -3.495 1.729 77 1HG2 THR 14 1HG2 THR 14 3.890 -3.494 2.286 78 2HG2 THR 14 2HG2 THR 14 3.571 -5.190 2.642 79 3HG2 THR 14 3HG2 THR 14 4.299 -4.736 1.103 80 H PHE 15 H PHE 15 5.774 -2.421 4.833 81 HA PHE 15 HA PHE 15 2.920 -2.006 5.529 82 1HB PHE 15 2HB PHE 15 3.360 -1.395 7.778 83 2HB PHE 15 1HB PHE 15 4.347 -2.833 7.531 84 HD1 PHE 15 1HD PHE 15 4.341 0.641 8.440 85 HD2 PHE 15 2HD PHE 15 6.821 -2.493 6.862 86 HE1 PHE 15 1HE PHE 15 6.366 1.939 9.043 87 HE2 PHE 15 2HE PHE 15 8.845 -1.194 7.466 88 HZ PHE 15 HZ PHE 15 8.617 1.022 8.556 89 H CYS 16 H CYS 16 2.283 0.175 5.279 90 HA CYS 16 HA CYS 16 4.191 1.898 3.808 91 1HB CYS 16 2HB CYS 16 1.270 2.356 4.493 92 2HB CYS 16 1HB CYS 16 2.187 3.096 3.183 93 H CYS 17 H CYS 17 2.613 4.333 4.779 94 HA CYS 17 HA CYS 17 4.369 4.978 7.036 95 1HB CYS 17 2HB CYS 17 3.421 6.383 4.974 96 2HB CYS 17 1HB CYS 17 2.128 6.736 6.120 97 H SER 18 H SER 18 0.830 5.357 6.668 98 HA SER 18 HA SER 18 0.270 3.991 9.192 99 1HB SER 18 2HB SER 18 1.232 6.156 9.921 100 2HB SER 18 1HB SER 18 0.017 7.009 8.972 101 HG SER 18 HG SER 18 -1.472 6.502 10.409 102 H GLY 19 H GLY 19 -1.001 6.458 6.933 103 1HA GLY 19 2HA GLY 19 -3.698 5.226 7.139 104 2HA GLY 19 1HA GLY 19 -3.342 6.793 6.414 105 H TYR 20 H TYR 20 -1.294 4.076 5.624 106 HA TYR 20 HA TYR 20 -2.681 3.771 2.983 107 1HB TYR 20 2HB TYR 20 0.276 4.150 3.577 108 2HB TYR 20 1HB TYR 20 -0.374 3.750 1.987 109 HD1 TYR 20 1HD TYR 20 0.030 6.370 4.519 110 HD2 TYR 20 2HD TYR 20 -1.782 5.371 0.754 111 HE1 TYR 20 1HE TYR 20 -0.412 8.773 4.094 112 HE2 TYR 20 2HE TYR 20 -2.224 7.773 0.330 113 HH TYR 20 HH TYR 20 -2.409 10.001 2.397 114 H ASN 21 H ASN 21 -2.614 1.655 2.140 115 HA ASN 21 HA ASN 21 -1.299 -0.432 3.860 116 1HB ASN 21 2HB ASN 21 -4.015 -0.159 2.619 117 2HB ASN 21 1HB ASN 21 -3.332 -1.780 2.772 118 1HD2 ASN 21 1HD2 ASN 21 -2.757 -2.514 5.005 119 2HD2 ASN 21 2HD2 ASN 21 -3.525 -1.810 6.345 120 H CYS 22 H CYS 22 -0.554 -2.357 2.635 121 HA CYS 22 HA CYS 22 0.435 -1.613 -0.051 122 1HB CYS 22 2HB CYS 22 1.963 -2.629 1.528 123 2HB CYS 22 1HB CYS 22 0.858 -3.974 1.803 124 H SER 23 H SER 23 -0.213 -2.590 -1.962 125 HA SER 23 HA SER 23 -2.597 -4.392 -1.808 126 1HB SER 23 2HB SER 23 -1.769 -2.094 -3.390 127 2HB SER 23 1HB SER 23 -2.212 -3.446 -4.427 128 HG SER 23 HG SER 23 -3.802 -1.806 -3.080 129 HA PRO 24 HA PRO 24 0.098 -7.585 -3.321 130 1HB PRO 24 2HB PRO 24 -1.827 -9.462 -3.820 131 2HB PRO 24 1HB PRO 24 -1.256 -9.071 -2.186 132 1HG PRO 24 2HG PRO 24 -3.734 -8.208 -3.581 133 2HG PRO 24 1HG PRO 24 -3.483 -8.630 -1.881 134 1HD PRO 24 2HD PRO 24 -3.664 -6.062 -2.811 135 2HD PRO 24 1HD PRO 24 -2.804 -6.525 -1.327 136 H THR 25 H THR 25 -2.729 -6.449 -5.122 137 HA THR 25 HA THR 25 -1.839 -7.685 -7.648 138 HB THR 25 HB THR 25 -4.115 -5.881 -6.789 139 HG1 THR 25 1HG THR 25 -5.194 -7.698 -6.712 140 1HG2 THR 25 1HG2 THR 25 -5.012 -6.537 -9.138 141 2HG2 THR 25 2HG2 THR 25 -3.320 -6.844 -9.532 142 3HG2 THR 25 3HG2 THR 25 -3.832 -5.231 -9.034 143 H TRP 26 H TRP 26 -1.951 -4.453 -6.181 144 HA TRP 26 HA TRP 26 -0.817 -3.185 -8.601 145 1HB TRP 26 2HB TRP 26 -1.468 -2.070 -5.854 146 2HB TRP 26 1HB TRP 26 -1.192 -1.139 -7.323 147 HD1 TRP 26 HD TRP 26 -3.828 -3.057 -5.471 148 HE1 TRP 26 1HE TRP 26 -6.044 -2.985 -6.780 149 HE3 TRP 26 3HE TRP 26 -2.187 -1.063 -9.875 150 HZ2 TRP 26 2HZ TRP 26 -6.998 -2.186 -9.354 151 HZ3 TRP 26 3HZ TRP 26 -3.769 -0.657 -11.737 152 HH2 TRP 26 HH TRP 26 -6.171 -1.216 -11.484 153 H LYS 27 H LYS 27 0.354 -4.624 -5.695 154 HA LYS 27 HA LYS 27 2.501 -4.842 -4.793 155 1HB LYS 27 2HB LYS 27 2.979 -3.956 -7.630 156 2HB LYS 27 1HB LYS 27 4.338 -4.224 -6.540 157 1HG LYS 27 2HG LYS 27 2.168 -6.295 -6.887 158 2HG LYS 27 1HG LYS 27 3.560 -6.229 -7.967 159 1HD LYS 27 2HD LYS 27 5.091 -6.658 -6.206 160 2HD LYS 27 1HD LYS 27 3.894 -6.288 -4.966 161 1HE LYS 27 2HE LYS 27 3.204 -8.502 -6.843 162 2HE LYS 27 1HE LYS 27 4.481 -8.828 -5.655 163 1HZ LYS 27 1HZ LYS 27 3.071 -8.151 -3.889 164 2HZ LYS 27 2HZ LYS 27 2.164 -9.233 -4.834 165 3HZ LYS 27 3HZ LYS 27 1.887 -7.560 -4.953 166 H TRP 28 H TRP 28 1.051 -1.966 -4.891 167 HA TRP 28 HA TRP 28 3.437 -0.606 -3.715 168 1HB TRP 28 2HB TRP 28 2.844 1.463 -4.874 169 2HB TRP 28 1HB TRP 28 3.099 0.176 -6.038 170 HD1 TRP 28 HD TRP 28 -0.063 1.314 -4.061 171 HE1 TRP 28 1HE TRP 28 -1.974 1.611 -5.762 172 HE3 TRP 28 3HE TRP 28 2.404 0.170 -8.380 173 HZ2 TRP 28 2HZ TRP 28 -2.405 1.398 -8.576 174 HZ3 TRP 28 3HZ TRP 28 1.222 0.230 -10.557 175 HH2 TRP 28 HH TRP 28 -1.178 0.843 -10.660 176 H CYS 29 H CYS 29 2.852 1.116 -2.173 177 HA CYS 29 HA CYS 29 0.705 0.356 -0.412 178 1HB CYS 29 2HB CYS 29 2.681 2.602 -0.664 179 2HB CYS 29 1HB CYS 29 1.363 2.764 0.495 180 H VAL 30 H VAL 30 -1.408 1.024 -0.401 181 HA VAL 30 HA VAL 30 -2.211 3.236 -2.269 182 HB VAL 30 HB VAL 30 -4.393 1.969 -2.348 183 1HG1 VAL 30 1HG1 VAL 30 -3.502 0.088 -3.725 184 2HG1 VAL 30 2HG1 VAL 30 -1.883 0.466 -3.138 185 3HG1 VAL 30 3HG1 VAL 30 -2.763 1.639 -4.116 186 1HG2 VAL 30 1HG2 VAL 30 -4.679 -0.093 -1.289 187 2HG2 VAL 30 2HG2 VAL 30 -3.749 0.791 -0.079 188 3HG2 VAL 30 3HG2 VAL 30 -2.944 -0.370 -1.135 189 H TYR 31 H TYR 31 -4.556 4.048 -1.459 190 HA TYR 31 HA TYR 31 -4.134 5.194 1.193 191 1HB TYR 31 2HB TYR 31 -5.212 6.323 -0.781 192 2HB TYR 31 1HB TYR 31 -6.575 5.216 -0.615 193 HD1 TYR 31 1HD TYR 31 -4.498 7.486 1.547 194 HD2 TYR 31 2HD TYR 31 -8.404 5.955 0.621 195 HE1 TYR 31 1HE TYR 31 -5.485 8.954 3.283 196 HE2 TYR 31 2HE TYR 31 -9.390 7.424 2.358 197 HH TYR 31 HH TYR 31 -8.206 9.965 3.507 198 H ALA 32 H ALA 32 -5.207 4.638 3.110 199 HA ALA 32 HA ALA 32 -6.479 1.967 3.183 200 1HB ALA 32 1HB ALA 32 -6.195 2.262 5.604 201 2HB ALA 32 2HB ALA 32 -5.797 3.963 5.371 202 3HB ALA 32 3HB ALA 32 -4.704 2.712 4.779 203 H ARG 33 H ARG 33 -8.533 2.437 2.174 204 HA ARG 33 HA ARG 33 -10.260 4.579 3.156 205 1HB ARG 33 2HB ARG 33 -10.359 2.326 1.189 206 2HB ARG 33 1HB ARG 33 -11.890 3.031 1.707 207 1HG ARG 33 2HG ARG 33 -10.628 5.312 1.225 208 2HG ARG 33 1HG ARG 33 -9.649 4.291 0.171 209 1HD ARG 33 2HD ARG 33 -12.441 3.646 -0.210 210 2HD ARG 33 1HD ARG 33 -12.194 5.390 -0.417 211 HE ARG 33 HE ARG 33 -10.176 4.639 -1.898 212 1HH1 ARG 33 1HH2 ARG 33 -13.031 4.596 -3.085 213 2HH1 ARG 33 2HH2 ARG 33 -13.003 3.076 -3.915 214 1HH2 ARG 33 1HH1 ARG 33 -10.163 1.930 -2.277 215 2HH2 ARG 33 2HH1 ARG 33 -11.378 1.564 -3.456 216 HA PRO 34 HA PRO 34 -11.864 2.236 6.570 217 1HB PRO 34 2HB PRO 34 -13.973 3.872 7.174 218 2HB PRO 34 1HB PRO 34 -12.293 4.264 7.591 219 1HG PRO 34 2HG PRO 34 -13.972 5.269 5.352 220 2HG PRO 34 1HG PRO 34 -12.781 6.125 6.343 221 1HD PRO 34 2HD PRO 34 -12.286 5.229 3.809 222 2HD PRO 34 1HD PRO 34 -11.026 5.456 5.043 Start of MODEL 13 1 1H GLY 1 1HT GLY 1 8.946 5.970 9.102 2 2H GLY 1 2HT GLY 1 10.306 4.967 9.278 3 3H GLY 1 3HT GLY 1 8.747 4.294 9.266 4 1HA GLY 1 2HA GLY 1 10.150 5.590 6.993 5 2HA GLY 1 1HA GLY 1 9.742 3.882 7.148 6 H CYS 2 H CYS 2 8.852 6.240 5.300 7 HA CYS 2 HA CYS 2 5.920 5.623 5.474 8 1HB CYS 2 2HB CYS 2 7.439 8.202 5.203 9 2HB CYS 2 1HB CYS 2 5.837 8.074 4.477 10 H GLY 3 H GLY 3 5.154 4.757 3.576 11 1HA GLY 3 2HA GLY 3 6.900 4.617 1.226 12 2HA GLY 3 1HA GLY 3 5.308 3.870 1.382 13 H GLY 4 H GLY 4 3.429 5.163 0.944 14 1HA GLY 4 2HA GLY 4 2.911 7.730 0.490 15 2HA GLY 4 1HA GLY 4 3.997 7.444 -0.870 16 H LEU 5 H LEU 5 2.444 7.683 -2.505 17 HA LEU 5 HA LEU 5 0.026 5.945 -2.419 18 1HB LEU 5 2HB LEU 5 0.467 8.553 -3.136 19 2HB LEU 5 1HB LEU 5 0.503 7.750 -4.707 20 HG LEU 5 HG LEU 5 -1.671 6.963 -2.823 21 1HD1 LEU 5 1HD1 LEU 5 -2.441 9.239 -4.472 22 2HD1 LEU 5 2HD1 LEU 5 -1.196 9.674 -3.302 23 3HD1 LEU 5 3HD1 LEU 5 -2.712 8.962 -2.751 24 1HD2 LEU 5 1HD2 LEU 5 -1.015 6.801 -5.644 25 2HD2 LEU 5 2HD2 LEU 5 -2.605 7.528 -5.422 26 3HD2 LEU 5 3HD2 LEU 5 -2.261 5.937 -4.744 27 H MET 6 H MET 6 3.185 5.752 -3.597 28 HA MET 6 HA MET 6 2.438 3.545 -5.430 29 1HB MET 6 2HB MET 6 3.774 6.144 -6.175 30 2HB MET 6 1HB MET 6 4.125 4.678 -7.093 31 1HG MET 6 2HG MET 6 1.397 4.566 -6.954 32 2HG MET 6 1HG MET 6 1.662 6.309 -7.019 33 1HE MET 6 1HE MET 6 0.836 3.515 -8.464 34 2HE MET 6 2HE MET 6 1.754 3.102 -9.909 35 3HE MET 6 3HE MET 6 0.454 4.284 -10.009 36 H ALA 7 H ALA 7 3.682 3.502 -2.863 37 HA ALA 7 HA ALA 7 6.580 3.390 -3.050 38 1HB ALA 7 1HB ALA 7 4.654 3.460 -1.078 39 2HB ALA 7 2HB ALA 7 6.363 3.130 -0.797 40 3HB ALA 7 3HB ALA 7 5.225 1.795 -0.973 41 H GLY 8 H GLY 8 7.283 0.978 -1.914 42 1HA GLY 8 2HA GLY 8 6.498 -1.003 -4.020 43 2HA GLY 8 1HA GLY 8 8.116 -0.917 -3.324 44 H CYS 9 H CYS 9 5.154 -2.502 -3.110 45 HA CYS 9 HA CYS 9 5.192 -3.063 -0.233 46 1HB CYS 9 2HB CYS 9 3.684 -4.217 -2.603 47 2HB CYS 9 1HB CYS 9 3.366 -4.666 -0.928 48 H ASP 10 H ASP 10 5.143 -5.490 -2.835 49 HA ASP 10 HA ASP 10 6.268 -7.557 -3.029 50 1HB ASP 10 2HB ASP 10 7.971 -5.541 -3.330 51 2HB ASP 10 1HB ASP 10 8.653 -6.174 -1.833 52 H GLY 11 H GLY 11 4.801 -8.087 -0.995 53 1HA GLY 11 2HA GLY 11 5.647 -9.918 0.679 54 2HA GLY 11 1HA GLY 11 6.458 -8.538 1.428 55 H LYS 12 H LYS 12 3.761 -10.378 1.688 56 HA LYS 12 HA LYS 12 1.611 -8.527 2.032 57 1HB LYS 12 2HB LYS 12 2.283 -11.199 3.293 58 2HB LYS 12 1HB LYS 12 0.719 -10.409 3.472 59 1HG LYS 12 2HG LYS 12 0.094 -10.854 1.315 60 2HG LYS 12 1HG LYS 12 1.736 -10.675 0.695 61 1HD LYS 12 2HD LYS 12 1.133 -12.995 2.494 62 2HD LYS 12 1HD LYS 12 0.589 -13.065 0.819 63 1HE LYS 12 2HE LYS 12 2.704 -13.894 0.449 64 2HE LYS 12 1HE LYS 12 3.165 -12.182 0.482 65 1HZ LYS 12 1HZ LYS 12 2.945 -13.817 2.949 66 2HZ LYS 12 2HZ LYS 12 3.698 -12.304 2.759 67 3HZ LYS 12 3HZ LYS 12 4.394 -13.694 2.076 68 H SER 13 H SER 13 4.451 -9.052 3.952 69 HA SER 13 HA SER 13 3.229 -7.906 6.410 70 1HB SER 13 2HB SER 13 5.522 -9.574 5.652 71 2HB SER 13 1HB SER 13 5.932 -8.346 6.846 72 HG SER 13 HG SER 13 4.498 -10.614 7.127 73 H THR 14 H THR 14 4.274 -6.525 3.646 74 HA THR 14 HA THR 14 6.257 -4.616 4.560 75 HB THR 14 HB THR 14 5.777 -5.391 2.182 76 HG1 THR 14 1HG THR 14 5.583 -2.585 2.515 77 1HG2 THR 14 1HG2 THR 14 3.941 -4.393 0.975 78 2HG2 THR 14 2HG2 THR 14 3.486 -3.419 2.373 79 3HG2 THR 14 3HG2 THR 14 3.281 -5.169 2.414 80 H PHE 15 H PHE 15 5.851 -2.278 4.853 81 HA PHE 15 HA PHE 15 3.032 -1.578 5.580 82 1HB PHE 15 2HB PHE 15 5.408 -1.869 7.284 83 2HB PHE 15 1HB PHE 15 4.608 -0.309 7.479 84 HD1 PHE 15 1HD PHE 15 2.215 -0.193 8.144 85 HD2 PHE 15 2HD PHE 15 4.342 -3.923 7.979 86 HE1 PHE 15 1HE PHE 15 0.430 -1.271 9.488 87 HE2 PHE 15 2HE PHE 15 2.558 -4.999 9.322 88 HZ PHE 15 HZ PHE 15 0.601 -3.674 10.076 89 H CYS 16 H CYS 16 2.489 0.571 5.149 90 HA CYS 16 HA CYS 16 4.456 2.133 3.553 91 1HB CYS 16 2HB CYS 16 1.498 2.565 4.085 92 2HB CYS 16 1HB CYS 16 2.455 3.325 2.815 93 H CYS 17 H CYS 17 2.688 4.583 4.345 94 HA CYS 17 HA CYS 17 4.385 5.382 6.633 95 1HB CYS 17 2HB CYS 17 4.090 6.760 4.571 96 2HB CYS 17 1HB CYS 17 2.381 6.934 4.966 97 H SER 18 H SER 18 1.060 6.515 6.140 98 HA SER 18 HA SER 18 0.167 5.145 8.624 99 1HB SER 18 2HB SER 18 0.501 8.106 8.170 100 2HB SER 18 1HB SER 18 -0.656 7.501 9.350 101 HG SER 18 HG SER 18 2.114 7.488 9.375 102 H GLY 19 H GLY 19 -0.765 7.498 6.096 103 1HA GLY 19 2HA GLY 19 -3.556 6.472 6.220 104 2HA GLY 19 1HA GLY 19 -3.057 7.972 5.438 105 H TYR 20 H TYR 20 -1.200 5.050 4.948 106 HA TYR 20 HA TYR 20 -2.430 4.699 2.238 107 1HB TYR 20 2HB TYR 20 0.494 4.962 3.019 108 2HB TYR 20 1HB TYR 20 -0.043 4.422 1.429 109 HD1 TYR 20 1HD TYR 20 0.611 7.262 3.540 110 HD2 TYR 20 2HD TYR 20 -1.583 5.971 0.079 111 HE1 TYR 20 1HE TYR 20 0.338 9.622 2.832 112 HE2 TYR 20 2HE TYR 20 -1.857 8.331 -0.627 113 HH TYR 20 HH TYR 20 -0.096 10.741 0.295 114 H ASN 21 H ASN 21 -2.766 2.543 1.758 115 HA ASN 21 HA ASN 21 -1.619 0.497 3.624 116 1HB ASN 21 2HB ASN 21 -4.196 1.023 2.985 117 2HB ASN 21 1HB ASN 21 -3.812 -0.122 1.700 118 1HD2 ASN 21 1HD2 ASN 21 -4.284 -2.239 2.302 119 2HD2 ASN 21 2HD2 ASN 21 -4.163 -2.857 3.879 120 H CYS 22 H CYS 22 -0.597 -1.386 2.666 121 HA CYS 22 HA CYS 22 0.553 -0.865 -0.006 122 1HB CYS 22 2HB CYS 22 1.387 -2.053 2.384 123 2HB CYS 22 1HB CYS 22 1.218 -3.405 1.263 124 H SER 23 H SER 23 -0.331 -1.691 -1.826 125 HA SER 23 HA SER 23 -2.430 -3.779 -1.638 126 1HB SER 23 2HB SER 23 -1.764 -1.499 -3.295 127 2HB SER 23 1HB SER 23 -2.009 -2.924 -4.298 128 HG SER 23 HG SER 23 -4.033 -3.165 -3.437 129 HA PRO 24 HA PRO 24 0.595 -6.796 -2.920 130 1HB PRO 24 2HB PRO 24 -1.131 -8.911 -3.115 131 2HB PRO 24 1HB PRO 24 -0.517 -8.303 -1.565 132 1HG PRO 24 2HG PRO 24 -3.153 -7.862 -2.862 133 2HG PRO 24 1HG PRO 24 -2.757 -8.066 -1.149 134 1HD PRO 24 2HD PRO 24 -3.283 -5.648 -2.331 135 2HD PRO 24 1HD PRO 24 -2.309 -5.851 -0.860 136 H THR 25 H THR 25 -2.525 -6.388 -4.572 137 HA THR 25 HA THR 25 -1.757 -7.703 -7.036 138 HB THR 25 HB THR 25 -3.904 -5.659 -6.373 139 HG1 THR 25 1HG THR 25 -4.550 -7.324 -5.261 140 1HG2 THR 25 1HG2 THR 25 -3.118 -6.899 -8.867 141 2HG2 THR 25 2HG2 THR 25 -4.361 -5.684 -8.574 142 3HG2 THR 25 3HG2 THR 25 -4.750 -7.397 -8.420 143 H TRP 26 H TRP 26 -1.725 -4.333 -5.911 144 HA TRP 26 HA TRP 26 -0.690 -3.363 -8.513 145 1HB TRP 26 2HB TRP 26 -1.238 -1.945 -5.884 146 2HB TRP 26 1HB TRP 26 -0.962 -1.171 -7.443 147 HD1 TRP 26 HD TRP 26 -3.578 -3.062 -5.453 148 HE1 TRP 26 1HE TRP 26 -5.831 -2.965 -6.699 149 HE3 TRP 26 3HE TRP 26 -2.062 -0.975 -9.859 150 HZ2 TRP 26 2HZ TRP 26 -6.858 -2.110 -9.225 151 HZ3 TRP 26 3HZ TRP 26 -3.698 -0.529 -11.666 152 HH2 TRP 26 HH TRP 26 -6.091 -1.093 -11.355 153 H LYS 27 H LYS 27 0.590 -4.565 -5.569 154 HA LYS 27 HA LYS 27 2.772 -4.739 -4.747 155 1HB LYS 27 2HB LYS 27 3.243 -3.883 -7.611 156 2HB LYS 27 1HB LYS 27 4.557 -4.328 -6.524 157 1HG LYS 27 2HG LYS 27 2.187 -6.107 -7.178 158 2HG LYS 27 1HG LYS 27 3.783 -6.247 -7.916 159 1HD LYS 27 2HD LYS 27 4.413 -6.217 -5.243 160 2HD LYS 27 1HD LYS 27 2.875 -7.079 -5.236 161 1HE LYS 27 2HE LYS 27 5.041 -7.824 -7.209 162 2HE LYS 27 1HE LYS 27 5.029 -8.493 -5.566 163 1HZ LYS 27 1HZ LYS 27 3.740 -9.912 -7.002 164 2HZ LYS 27 2HZ LYS 27 2.800 -8.600 -7.532 165 3HZ LYS 27 3HZ LYS 27 2.692 -9.130 -5.922 166 H TRP 28 H TRP 28 1.278 -1.954 -4.771 167 HA TRP 28 HA TRP 28 3.627 -0.515 -3.688 168 1HB TRP 28 2HB TRP 28 3.275 1.443 -5.076 169 2HB TRP 28 1HB TRP 28 3.461 0.041 -6.116 170 HD1 TRP 28 HD TRP 28 0.367 1.664 -4.392 171 HE1 TRP 28 1HE TRP 28 -1.471 1.921 -6.178 172 HE3 TRP 28 3HE TRP 28 2.813 -0.207 -8.461 173 HZ2 TRP 28 2HZ TRP 28 -1.856 1.411 -8.961 174 HZ3 TRP 28 3HZ TRP 28 1.692 -0.304 -10.669 175 HH2 TRP 28 HH TRP 28 -0.639 0.503 -10.923 176 H CYS 29 H CYS 29 3.023 1.314 -2.325 177 HA CYS 29 HA CYS 29 0.724 0.801 -0.678 178 1HB CYS 29 2HB CYS 29 2.683 3.092 -0.967 179 2HB CYS 29 1HB CYS 29 1.439 3.071 0.282 180 H VAL 30 H VAL 30 -1.315 1.652 -0.748 181 HA VAL 30 HA VAL 30 -1.919 3.781 -2.776 182 HB VAL 30 HB VAL 30 -4.113 2.581 -3.020 183 1HG1 VAL 30 1HG1 VAL 30 -3.027 0.419 -4.016 184 2HG1 VAL 30 2HG1 VAL 30 -1.505 1.203 -3.594 185 3HG1 VAL 30 3HG1 VAL 30 -2.621 1.986 -4.711 186 1HG2 VAL 30 1HG2 VAL 30 -4.569 0.549 -1.928 187 2HG2 VAL 30 2HG2 VAL 30 -3.795 1.499 -0.660 188 3HG2 VAL 30 3HG2 VAL 30 -2.874 0.272 -1.530 189 H TYR 31 H TYR 31 -4.443 4.473 -2.063 190 HA TYR 31 HA TYR 31 -4.098 5.902 0.429 191 1HB TYR 31 2HB TYR 31 -6.238 6.818 -0.108 192 2HB TYR 31 1HB TYR 31 -5.472 6.505 -1.662 193 HD1 TYR 31 1HD TYR 31 -6.216 4.641 -3.087 194 HD2 TYR 31 2HD TYR 31 -8.110 5.467 0.681 195 HE1 TYR 31 1HE TYR 31 -8.116 3.178 -3.720 196 HE2 TYR 31 2HE TYR 31 -10.008 4.003 0.047 197 HH TYR 31 HH TYR 31 -10.013 1.780 -1.993 198 H ALA 32 H ALA 32 -5.153 5.532 2.446 199 HA ALA 32 HA ALA 32 -6.105 2.720 2.851 200 1HB ALA 32 1HB ALA 32 -4.102 3.459 4.086 201 2HB ALA 32 2HB ALA 32 -5.434 3.162 5.202 202 3HB ALA 32 3HB ALA 32 -5.007 4.814 4.759 203 H ARG 33 H ARG 33 -8.210 2.395 3.483 204 HA ARG 33 HA ARG 33 -10.136 4.533 3.467 205 1HB ARG 33 2HB ARG 33 -10.023 1.608 3.946 206 2HB ARG 33 1HB ARG 33 -11.390 2.438 4.690 207 1HG ARG 33 2HG ARG 33 -10.951 3.391 1.981 208 2HG ARG 33 1HG ARG 33 -11.175 1.641 2.008 209 1HD ARG 33 2HD ARG 33 -13.034 3.443 3.566 210 2HD ARG 33 1HD ARG 33 -13.313 3.111 1.845 211 HE ARG 33 HE ARG 33 -13.188 1.008 3.972 212 1HH1 ARG 33 1HH2 ARG 33 -15.792 1.692 2.641 213 2HH1 ARG 33 2HH2 ARG 33 -15.901 0.477 1.411 214 1HH2 ARG 33 1HH1 ARG 33 -12.540 -0.387 1.593 215 2HH2 ARG 33 2HH1 ARG 33 -14.056 -0.703 0.817 216 HA PRO 34 HA PRO 34 -10.290 4.056 8.224 217 1HB PRO 34 2HB PRO 34 -8.414 2.493 9.462 218 2HB PRO 34 1HB PRO 34 -9.970 1.863 8.883 219 1HG PRO 34 2HG PRO 34 -7.272 1.662 7.653 220 2HG PRO 34 1HG PRO 34 -8.584 0.476 7.701 221 1HD PRO 34 2HD PRO 34 -7.994 2.018 5.520 222 2HD PRO 34 1HD PRO 34 -9.601 1.337 5.852 Start of MODEL 14 1 1H GLY 1 1HT GLY 1 9.070 4.459 8.302 2 2H GLY 1 2HT GLY 1 10.474 3.570 7.955 3 3H GLY 1 3HT GLY 1 9.122 2.797 8.635 4 1HA GLY 1 2HA GLY 1 9.740 3.239 5.909 5 2HA GLY 1 1HA GLY 1 8.436 2.279 6.607 6 H CYS 2 H CYS 2 8.589 4.346 4.326 7 HA CYS 2 HA CYS 2 6.025 5.662 4.974 8 1HB CYS 2 2HB CYS 2 8.357 6.946 5.613 9 2HB CYS 2 1HB CYS 2 8.088 7.535 3.974 10 H GLY 3 H GLY 3 5.008 4.785 3.159 11 1HA GLY 3 2HA GLY 3 6.347 5.104 0.512 12 2HA GLY 3 1HA GLY 3 5.032 3.979 0.850 13 H GLY 4 H GLY 4 3.115 4.617 0.003 14 1HA GLY 4 2HA GLY 4 1.812 7.056 0.477 15 2HA GLY 4 1HA GLY 4 2.691 7.275 -1.037 16 H LEU 5 H LEU 5 1.306 6.992 -2.716 17 HA LEU 5 HA LEU 5 -0.862 4.946 -2.482 18 1HB LEU 5 2HB LEU 5 -0.406 7.445 -4.108 19 2HB LEU 5 1HB LEU 5 -1.662 6.288 -4.553 20 HG LEU 5 HG LEU 5 -2.203 6.507 -1.923 21 1HD1 LEU 5 1HD1 LEU 5 -0.647 8.933 -2.708 22 2HD1 LEU 5 2HD1 LEU 5 -0.751 8.123 -1.145 23 3HD1 LEU 5 3HD1 LEU 5 -2.065 9.168 -1.685 24 1HD2 LEU 5 1HD2 LEU 5 -3.805 8.411 -2.675 25 2HD2 LEU 5 2HD2 LEU 5 -3.935 6.850 -3.486 26 3HD2 LEU 5 3HD2 LEU 5 -3.086 8.183 -4.270 27 H MET 6 H MET 6 2.228 5.214 -3.781 28 HA MET 6 HA MET 6 1.723 2.942 -5.613 29 1HB MET 6 2HB MET 6 1.564 5.413 -6.634 30 2HB MET 6 1HB MET 6 3.318 5.234 -6.687 31 1HG MET 6 2HG MET 6 2.064 2.813 -7.632 32 2HG MET 6 1HG MET 6 1.434 4.197 -8.524 33 1HE MET 6 1HE MET 6 3.230 1.600 -8.724 34 2HE MET 6 2HE MET 6 4.866 1.908 -8.146 35 3HE MET 6 3HE MET 6 4.540 1.885 -9.877 36 H ALA 7 H ALA 7 3.180 3.381 -3.044 37 HA ALA 7 HA ALA 7 6.044 3.386 -3.668 38 1HB ALA 7 1HB ALA 7 4.758 2.422 -1.115 39 2HB ALA 7 2HB ALA 7 4.735 4.136 -1.533 40 3HB ALA 7 3HB ALA 7 6.273 3.301 -1.321 41 H GLY 8 H GLY 8 7.230 1.592 -4.203 42 1HA GLY 8 2HA GLY 8 6.089 -0.907 -4.840 43 2HA GLY 8 1HA GLY 8 7.810 -0.658 -4.543 44 H CYS 9 H CYS 9 5.189 -2.375 -3.499 45 HA CYS 9 HA CYS 9 5.871 -2.381 -0.620 46 1HB CYS 9 2HB CYS 9 3.541 -2.436 -1.170 47 2HB CYS 9 1HB CYS 9 3.786 -3.704 -2.373 48 H ASP 10 H ASP 10 5.213 -5.125 -2.801 49 HA ASP 10 HA ASP 10 6.306 -7.194 -3.063 50 1HB ASP 10 2HB ASP 10 8.132 -5.075 -3.322 51 2HB ASP 10 1HB ASP 10 8.949 -6.244 -2.284 52 H GLY 11 H GLY 11 5.359 -8.246 -1.225 53 1HA GLY 11 2HA GLY 11 6.693 -9.654 0.583 54 2HA GLY 11 1HA GLY 11 6.833 -8.076 1.353 55 H LYS 12 H LYS 12 3.964 -7.641 0.036 56 HA LYS 12 HA LYS 12 1.741 -7.766 0.784 57 1HB LYS 12 2HB LYS 12 2.761 -10.405 1.892 58 2HB LYS 12 1HB LYS 12 1.068 -9.978 1.664 59 1HG LYS 12 2HG LYS 12 1.213 -10.072 -0.663 60 2HG LYS 12 1HG LYS 12 2.955 -9.795 -0.666 61 1HD LYS 12 2HD LYS 12 2.196 -12.236 0.771 62 2HD LYS 12 1HD LYS 12 1.722 -12.263 -0.927 63 1HE LYS 12 2HE LYS 12 3.888 -12.969 -1.242 64 2HE LYS 12 1HE LYS 12 4.259 -11.238 -1.118 65 1HZ LYS 12 1HZ LYS 12 4.424 -11.524 1.308 66 2HZ LYS 12 2HZ LYS 12 5.580 -12.448 0.475 67 3HZ LYS 12 3HZ LYS 12 4.198 -13.194 1.121 68 H SER 13 H SER 13 4.075 -6.806 2.623 69 HA SER 13 HA SER 13 2.423 -6.141 4.919 70 1HB SER 13 2HB SER 13 3.110 -8.600 5.215 71 2HB SER 13 1HB SER 13 4.758 -8.015 5.408 72 HG SER 13 HG SER 13 2.506 -7.657 7.045 73 H THR 14 H THR 14 3.860 -4.521 3.149 74 HA THR 14 HA THR 14 6.484 -3.850 4.294 75 HB THR 14 HB THR 14 5.712 -3.753 1.838 76 HG1 THR 14 1HG THR 14 7.398 -2.545 1.665 77 1HG2 THR 14 1HG2 THR 14 4.398 -1.968 1.089 78 2HG2 THR 14 2HG2 THR 14 4.698 -1.011 2.541 79 3HG2 THR 14 3HG2 THR 14 3.608 -2.396 2.607 80 H PHE 15 H PHE 15 6.951 -1.696 5.191 81 HA PHE 15 HA PHE 15 4.715 -0.676 6.860 82 1HB PHE 15 2HB PHE 15 7.566 -1.024 7.071 83 2HB PHE 15 1HB PHE 15 7.177 0.675 7.340 84 HD1 PHE 15 1HD PHE 15 4.835 0.936 8.766 85 HD2 PHE 15 2HD PHE 15 7.615 -2.333 8.990 86 HE1 PHE 15 1HE PHE 15 4.002 0.382 11.034 87 HE2 PHE 15 2HE PHE 15 6.782 -2.886 11.259 88 HZ PHE 15 HZ PHE 15 4.973 -1.529 12.281 89 H CYS 16 H CYS 16 3.574 1.060 6.126 90 HA CYS 16 HA CYS 16 4.802 2.855 4.084 91 1HB CYS 16 2HB CYS 16 2.322 1.593 4.387 92 2HB CYS 16 1HB CYS 16 1.996 3.284 4.770 93 H CYS 17 H CYS 17 3.467 5.197 4.456 94 HA CYS 17 HA CYS 17 4.839 6.468 6.627 95 1HB CYS 17 2HB CYS 17 2.551 7.221 4.796 96 2HB CYS 17 1HB CYS 17 3.187 8.350 5.989 97 H SER 18 H SER 18 1.346 6.863 6.368 98 HA SER 18 HA SER 18 0.796 5.519 8.927 99 1HB SER 18 2HB SER 18 0.022 7.718 9.937 100 2HB SER 18 1HB SER 18 1.763 7.591 9.713 101 HG SER 18 HG SER 18 -0.082 9.236 8.498 102 H GLY 19 H GLY 19 -0.755 4.386 7.562 103 1HA GLY 19 2HA GLY 19 -3.292 4.520 7.505 104 2HA GLY 19 1HA GLY 19 -3.075 6.073 6.698 105 H TYR 20 H TYR 20 -0.628 4.669 5.303 106 HA TYR 20 HA TYR 20 -2.164 3.809 2.947 107 1HB TYR 20 2HB TYR 20 0.773 4.151 3.609 108 2HB TYR 20 1HB TYR 20 0.206 3.610 2.030 109 HD1 TYR 20 1HD TYR 20 -2.057 5.166 1.351 110 HD2 TYR 20 2HD TYR 20 1.409 6.384 3.574 111 HE1 TYR 20 1HE TYR 20 -2.468 7.520 0.696 112 HE2 TYR 20 2HE TYR 20 0.999 8.741 2.918 113 HH TYR 20 HH TYR 20 -1.464 10.024 2.116 114 H ASN 21 H ASN 21 -2.184 1.687 2.117 115 HA ASN 21 HA ASN 21 -0.992 -0.438 3.865 116 1HB ASN 21 2HB ASN 21 -3.367 -0.360 4.220 117 2HB ASN 21 1HB ASN 21 -3.684 -0.194 2.495 118 1HD2 ASN 21 1HD2 ASN 21 -2.336 -2.526 4.890 119 2HD2 ASN 21 2HD2 ASN 21 -2.759 -3.909 4.001 120 H CYS 22 H CYS 22 -0.324 -2.378 2.727 121 HA CYS 22 HA CYS 22 0.600 -1.841 -0.028 122 1HB CYS 22 2HB CYS 22 2.223 -2.809 1.381 123 2HB CYS 22 1HB CYS 22 1.062 -3.911 2.117 124 H SER 23 H SER 23 -0.306 -2.737 -1.839 125 HA SER 23 HA SER 23 -2.671 -4.523 -1.493 126 1HB SER 23 2HB SER 23 -2.459 -2.244 -2.844 127 2HB SER 23 1HB SER 23 -1.790 -3.294 -4.089 128 HG SER 23 HG SER 23 -4.362 -3.130 -3.056 129 HA PRO 24 HA PRO 24 -0.129 -7.867 -2.953 130 1HB PRO 24 2HB PRO 24 -2.127 -9.704 -3.289 131 2HB PRO 24 1HB PRO 24 -1.475 -9.264 -1.697 132 1HG PRO 24 2HG PRO 24 -3.984 -8.376 -3.024 133 2HG PRO 24 1HG PRO 24 -3.676 -8.743 -1.320 134 1HD PRO 24 2HD PRO 24 -3.815 -6.206 -2.329 135 2HD PRO 24 1HD PRO 24 -2.890 -6.647 -0.877 136 H THR 25 H THR 25 -2.978 -6.681 -4.674 137 HA THR 25 HA THR 25 -2.248 -8.060 -7.181 138 HB THR 25 HB THR 25 -4.382 -5.978 -6.616 139 HG1 THR 25 1HG THR 25 -4.380 -8.797 -6.321 140 1HG2 THR 25 1HG2 THR 25 -3.747 -6.620 -9.022 141 2HG2 THR 25 2HG2 THR 25 -5.446 -6.784 -8.581 142 3HG2 THR 25 3HG2 THR 25 -4.412 -8.211 -8.650 143 H TRP 26 H TRP 26 -2.181 -4.774 -5.829 144 HA TRP 26 HA TRP 26 -1.139 -3.632 -8.354 145 1HB TRP 26 2HB TRP 26 -1.459 -2.363 -5.618 146 2HB TRP 26 1HB TRP 26 -1.323 -1.537 -7.161 147 HD1 TRP 26 HD TRP 26 -3.396 -3.794 -8.539 148 HE1 TRP 26 1HE TRP 26 -5.908 -3.388 -8.164 149 HE3 TRP 26 3HE TRP 26 -3.200 -0.661 -4.512 150 HZ2 TRP 26 2HZ TRP 26 -7.616 -1.926 -6.402 151 HZ3 TRP 26 3HZ TRP 26 -5.285 0.225 -3.508 152 HH2 TRP 26 HH TRP 26 -7.492 -0.404 -4.446 153 H LYS 27 H LYS 27 0.135 -5.073 -5.495 154 HA LYS 27 HA LYS 27 2.322 -5.386 -4.726 155 1HB LYS 27 2HB LYS 27 2.608 -4.617 -7.610 156 2HB LYS 27 1HB LYS 27 4.060 -4.766 -6.624 157 1HG LYS 27 2HG LYS 27 1.945 -6.927 -6.735 158 2HG LYS 27 1HG LYS 27 3.322 -6.888 -7.835 159 1HD LYS 27 2HD LYS 27 4.556 -7.911 -6.256 160 2HD LYS 27 1HD LYS 27 4.384 -6.475 -5.247 161 1HE LYS 27 2HE LYS 27 3.505 -8.190 -3.875 162 2HE LYS 27 1HE LYS 27 2.045 -7.516 -4.625 163 1HZ LYS 27 1HZ LYS 27 2.134 -9.940 -4.852 164 2HZ LYS 27 2HZ LYS 27 3.612 -9.815 -5.682 165 3HZ LYS 27 3HZ LYS 27 2.192 -9.176 -6.364 166 H TRP 28 H TRP 28 0.954 -2.556 -4.591 167 HA TRP 28 HA TRP 28 3.411 -1.239 -3.584 168 1HB TRP 28 2HB TRP 28 2.940 0.824 -4.814 169 2HB TRP 28 1HB TRP 28 3.143 -0.517 -5.927 170 HD1 TRP 28 HD TRP 28 0.002 0.787 -4.023 171 HE1 TRP 28 1HE TRP 28 -1.874 1.121 -5.760 172 HE3 TRP 28 3HE TRP 28 2.490 -0.508 -8.272 173 HZ2 TRP 28 2HZ TRP 28 -2.265 0.880 -8.580 174 HZ3 TRP 28 3HZ TRP 28 1.354 -0.447 -10.474 175 HH2 TRP 28 HH TRP 28 -1.022 0.245 -10.633 176 H CYS 29 H CYS 29 2.819 0.804 -2.328 177 HA CYS 29 HA CYS 29 0.689 0.160 -0.441 178 1HB CYS 29 2HB CYS 29 3.099 1.397 -0.328 179 2HB CYS 29 1HB CYS 29 2.042 2.804 -0.415 180 H VAL 30 H VAL 30 -1.175 1.435 -0.017 181 HA VAL 30 HA VAL 30 -1.885 3.662 -1.852 182 HB VAL 30 HB VAL 30 -4.095 2.451 -2.282 183 1HG1 VAL 30 1HG1 VAL 30 -1.868 0.778 -3.378 184 2HG1 VAL 30 2HG1 VAL 30 -1.902 2.499 -3.764 185 3HG1 VAL 30 3HG1 VAL 30 -3.263 1.469 -4.205 186 1HG2 VAL 30 1HG2 VAL 30 -4.360 0.196 -1.727 187 2HG2 VAL 30 2HG2 VAL 30 -3.479 0.796 -0.321 188 3HG2 VAL 30 3HG2 VAL 30 -2.623 -0.079 -1.592 189 H TYR 31 H TYR 31 -4.138 4.559 -1.090 190 HA TYR 31 HA TYR 31 -4.015 5.056 1.759 191 1HB TYR 31 2HB TYR 31 -4.929 6.525 -0.141 192 2HB TYR 31 1HB TYR 31 -6.373 5.511 -0.088 193 HD1 TYR 31 1HD TYR 31 -4.089 7.175 2.397 194 HD2 TYR 31 2HD TYR 31 -8.129 6.362 1.182 195 HE1 TYR 31 1HE TYR 31 -4.931 8.478 4.329 196 HE2 TYR 31 2HE TYR 31 -8.971 7.666 3.115 197 HH TYR 31 HH TYR 31 -7.325 9.817 4.735 198 H ALA 32 H ALA 32 -5.071 3.988 3.420 199 HA ALA 32 HA ALA 32 -6.521 1.496 2.756 200 1HB ALA 32 1HB ALA 32 -5.748 2.756 5.410 201 2HB ALA 32 2HB ALA 32 -4.729 1.647 4.492 202 3HB ALA 32 3HB ALA 32 -6.261 1.087 5.163 203 H ARG 33 H ARG 33 -8.633 1.945 2.148 204 HA ARG 33 HA ARG 33 -10.340 3.362 4.154 205 1HB ARG 33 2HB ARG 33 -11.426 4.542 2.227 206 2HB ARG 33 1HB ARG 33 -9.728 4.974 2.420 207 1HG ARG 33 2HG ARG 33 -9.155 4.074 0.419 208 2HG ARG 33 1HG ARG 33 -10.142 2.637 0.684 209 1HD ARG 33 2HD ARG 33 -12.185 4.059 0.173 210 2HD ARG 33 1HD ARG 33 -11.068 5.339 -0.342 211 HE ARG 33 HE ARG 33 -10.214 3.816 -2.074 212 1HH1 ARG 33 1HH2 ARG 33 -13.061 3.903 -2.809 213 2HH1 ARG 33 2HH2 ARG 33 -13.506 2.231 -2.876 214 1HH2 ARG 33 1HH1 ARG 33 -10.738 1.148 -1.074 215 2HH2 ARG 33 2HH1 ARG 33 -12.187 0.668 -1.890 216 HA PRO 34 HA PRO 34 -13.124 0.036 3.416 217 1HB PRO 34 2HB PRO 34 -15.549 1.254 3.790 218 2HB PRO 34 1HB PRO 34 -14.440 0.874 5.122 219 1HG PRO 34 2HG PRO 34 -14.919 3.465 3.739 220 2HG PRO 34 1HG PRO 34 -14.629 3.137 5.455 221 1HD PRO 34 2HD PRO 34 -12.718 4.094 3.764 222 2HD PRO 34 1HD PRO 34 -12.355 3.115 5.201 Start of MODEL 15 1 1H GLY 1 1HT GLY 1 11.438 5.907 4.368 2 2H GLY 1 2HT GLY 1 10.956 4.563 3.447 3 3H GLY 1 3HT GLY 1 12.407 4.516 4.330 4 1HA GLY 1 2HA GLY 1 10.928 3.274 5.618 5 2HA GLY 1 1HA GLY 1 10.993 4.859 6.392 6 H CYS 2 H CYS 2 9.351 6.472 5.178 7 HA CYS 2 HA CYS 2 6.688 5.375 5.640 8 1HB CYS 2 2HB CYS 2 7.922 7.841 5.729 9 2HB CYS 2 1HB CYS 2 6.960 7.965 4.256 10 H GLY 3 H GLY 3 5.184 4.748 4.083 11 1HA GLY 3 2HA GLY 3 6.175 4.400 1.323 12 2HA GLY 3 1HA GLY 3 4.691 3.712 1.983 13 H GLY 4 H GLY 4 3.129 4.497 0.601 14 1HA GLY 4 2HA GLY 4 2.190 7.158 0.835 15 2HA GLY 4 1HA GLY 4 3.180 7.086 -0.621 16 H LEU 5 H LEU 5 1.565 7.236 -2.166 17 HA LEU 5 HA LEU 5 -0.788 5.431 -2.014 18 1HB LEU 5 2HB LEU 5 -0.241 8.036 -2.938 19 2HB LEU 5 1HB LEU 5 -0.565 7.084 -4.389 20 HG LEU 5 HG LEU 5 -2.352 6.914 -1.963 21 1HD1 LEU 5 1HD1 LEU 5 -3.669 8.699 -2.712 22 2HD1 LEU 5 2HD1 LEU 5 -2.972 8.663 -4.331 23 3HD1 LEU 5 3HD1 LEU 5 -2.035 9.302 -2.981 24 1HD2 LEU 5 1HD2 LEU 5 -3.159 5.263 -3.296 25 2HD2 LEU 5 2HD2 LEU 5 -2.284 5.855 -4.708 26 3HD2 LEU 5 3HD2 LEU 5 -3.835 6.570 -4.268 27 H MET 6 H MET 6 2.339 5.441 -3.451 28 HA MET 6 HA MET 6 1.631 3.045 -5.048 29 1HB MET 6 2HB MET 6 2.519 5.721 -6.089 30 2HB MET 6 1HB MET 6 3.042 4.264 -6.936 31 1HG MET 6 2HG MET 6 0.420 3.683 -6.630 32 2HG MET 6 1HG MET 6 0.325 5.443 -6.702 33 1HE MET 6 1HE MET 6 -0.521 3.539 -10.178 34 2HE MET 6 2HE MET 6 -1.223 4.730 -9.086 35 3HE MET 6 3HE MET 6 -0.795 3.133 -8.478 36 H ALA 7 H ALA 7 3.280 3.604 -2.624 37 HA ALA 7 HA ALA 7 6.094 3.527 -3.367 38 1HB ALA 7 1HB ALA 7 6.089 4.135 -1.187 39 2HB ALA 7 2HB ALA 7 5.711 2.462 -0.779 40 3HB ALA 7 3HB ALA 7 4.409 3.630 -1.006 41 H GLY 8 H GLY 8 7.470 1.682 -3.404 42 1HA GLY 8 2HA GLY 8 6.334 -0.783 -4.321 43 2HA GLY 8 1HA GLY 8 8.014 -0.564 -3.828 44 H CYS 9 H CYS 9 5.377 -2.359 -3.135 45 HA CYS 9 HA CYS 9 5.611 -2.329 -0.185 46 1HB CYS 9 2HB CYS 9 3.406 -2.502 -1.147 47 2HB CYS 9 1HB CYS 9 3.913 -3.820 -2.203 48 H ASP 10 H ASP 10 5.509 -5.057 -2.484 49 HA ASP 10 HA ASP 10 6.793 -7.025 -2.624 50 1HB ASP 10 2HB ASP 10 8.507 -5.038 -2.704 51 2HB ASP 10 1HB ASP 10 8.936 -5.575 -1.080 52 H GLY 11 H GLY 11 5.658 -8.426 -1.238 53 1HA GLY 11 2HA GLY 11 6.396 -9.909 0.715 54 2HA GLY 11 1HA GLY 11 6.483 -8.412 1.639 55 H LYS 12 H LYS 12 3.928 -7.706 -0.165 56 HA LYS 12 HA LYS 12 1.597 -7.737 0.169 57 1HB LYS 12 2HB LYS 12 2.109 -10.467 1.378 58 2HB LYS 12 1HB LYS 12 0.660 -9.916 0.544 59 1HG LYS 12 2HG LYS 12 1.932 -9.729 -1.561 60 2HG LYS 12 1HG LYS 12 3.391 -10.266 -0.732 61 1HD LYS 12 2HD LYS 12 0.839 -11.862 -1.109 62 2HD LYS 12 1HD LYS 12 2.391 -12.166 -1.886 63 1HE LYS 12 2HE LYS 12 1.839 -12.346 1.104 64 2HE LYS 12 1HE LYS 12 2.111 -13.710 0.006 65 1HZ LYS 12 1HZ LYS 12 4.016 -11.591 0.806 66 2HZ LYS 12 2HZ LYS 12 4.253 -12.497 -0.612 67 3HZ LYS 12 3HZ LYS 12 4.210 -13.272 0.899 68 H SER 13 H SER 13 3.612 -7.061 2.465 69 HA SER 13 HA SER 13 1.611 -6.485 4.496 70 1HB SER 13 2HB SER 13 2.322 -9.039 4.564 71 2HB SER 13 1HB SER 13 3.749 -8.409 5.381 72 HG SER 13 HG SER 13 1.154 -8.630 6.248 73 H THR 14 H THR 14 3.464 -4.863 3.112 74 HA THR 14 HA THR 14 5.850 -4.419 4.761 75 HB THR 14 HB THR 14 5.565 -4.128 2.232 76 HG1 THR 14 1HG THR 14 7.187 -2.778 2.325 77 1HG2 THR 14 1HG2 THR 14 3.374 -2.783 2.644 78 2HG2 THR 14 2HG2 THR 14 4.466 -2.239 1.371 79 3HG2 THR 14 3HG2 THR 14 4.452 -1.418 2.932 80 H PHE 15 H PHE 15 6.272 -2.205 5.693 81 HA PHE 15 HA PHE 15 3.811 -1.154 7.032 82 1HB PHE 15 2HB PHE 15 6.489 -1.859 7.831 83 2HB PHE 15 1HB PHE 15 6.223 -0.148 8.172 84 HD1 PHE 15 1HD PHE 15 3.901 -3.099 8.207 85 HD2 PHE 15 2HD PHE 15 5.725 0.083 10.445 86 HE1 PHE 15 1HE PHE 15 2.529 -3.703 10.181 87 HE2 PHE 15 2HE PHE 15 4.353 -0.521 12.421 88 HZ PHE 15 HZ PHE 15 2.755 -2.414 12.289 89 H CYS 16 H CYS 16 3.048 0.510 5.747 90 HA CYS 16 HA CYS 16 4.887 2.339 4.347 91 1HB CYS 16 2HB CYS 16 1.865 2.246 4.641 92 2HB CYS 16 1HB CYS 16 2.747 3.243 3.483 93 H CYS 17 H CYS 17 2.824 4.570 4.816 94 HA CYS 17 HA CYS 17 4.205 5.855 7.031 95 1HB CYS 17 2HB CYS 17 1.939 6.499 5.144 96 2HB CYS 17 1HB CYS 17 2.320 7.587 6.479 97 H SER 18 H SER 18 0.796 6.408 7.003 98 HA SER 18 HA SER 18 0.318 4.617 9.337 99 1HB SER 18 2HB SER 18 0.310 7.631 9.250 100 2HB SER 18 1HB SER 18 -0.699 6.777 10.413 101 HG SER 18 HG SER 18 1.057 6.040 11.414 102 H GLY 19 H GLY 19 -0.884 3.870 7.152 103 1HA GLY 19 2HA GLY 19 -3.586 3.787 7.433 104 2HA GLY 19 1HA GLY 19 -3.378 5.343 6.627 105 H TYR 20 H TYR 20 -1.290 4.794 4.885 106 HA TYR 20 HA TYR 20 -2.553 3.610 2.641 107 1HB TYR 20 2HB TYR 20 0.396 3.878 3.336 108 2HB TYR 20 1HB TYR 20 -0.237 3.603 1.716 109 HD1 TYR 20 1HD TYR 20 -2.742 5.389 2.073 110 HD2 TYR 20 2HD TYR 20 1.425 6.020 2.891 111 HE1 TYR 20 1HE TYR 20 -3.057 7.828 1.774 112 HE2 TYR 20 2HE TYR 20 1.111 8.462 2.595 113 HH TYR 20 HH TYR 20 -1.150 9.851 1.058 114 H ASN 21 H ASN 21 -2.922 1.482 2.122 115 HA ASN 21 HA ASN 21 -1.548 -0.631 3.737 116 1HB ASN 21 2HB ASN 21 -4.156 -0.196 3.463 117 2HB ASN 21 1HB ASN 21 -3.925 -1.101 1.968 118 1HD2 ASN 21 1HD2 ASN 21 -5.465 -2.589 3.434 119 2HD2 ASN 21 2HD2 ASN 21 -4.654 -3.758 4.360 120 H CYS 22 H CYS 22 -0.864 -2.595 2.570 121 HA CYS 22 HA CYS 22 0.325 -1.947 -0.058 122 1HB CYS 22 2HB CYS 22 1.765 -2.983 1.523 123 2HB CYS 22 1HB CYS 22 0.546 -4.171 1.977 124 H SER 23 H SER 23 -0.456 -2.722 -1.987 125 HA SER 23 HA SER 23 -2.856 -4.485 -1.953 126 1HB SER 23 2HB SER 23 -1.889 -2.260 -3.488 127 2HB SER 23 1HB SER 23 -2.075 -3.633 -4.574 128 HG SER 23 HG SER 23 -4.161 -3.493 -4.349 129 HA PRO 24 HA PRO 24 -0.141 -7.851 -3.042 130 1HB PRO 24 2HB PRO 24 -2.089 -9.729 -3.450 131 2HB PRO 24 1HB PRO 24 -1.554 -9.219 -1.836 132 1HG PRO 24 2HG PRO 24 -3.975 -8.425 -3.367 133 2HG PRO 24 1HG PRO 24 -3.781 -8.715 -1.633 134 1HD PRO 24 2HD PRO 24 -3.884 -6.226 -2.763 135 2HD PRO 24 1HD PRO 24 -3.066 -6.585 -1.227 136 H THR 25 H THR 25 -2.802 -6.696 -5.034 137 HA THR 25 HA THR 25 -1.943 -8.227 -7.406 138 HB THR 25 HB THR 25 -4.019 -6.040 -7.046 139 HG1 THR 25 1HG THR 25 -4.939 -7.545 -5.911 140 1HG2 THR 25 1HG2 THR 25 -5.036 -7.281 -9.041 141 2HG2 THR 25 2HG2 THR 25 -3.469 -8.069 -9.214 142 3HG2 THR 25 3HG2 THR 25 -3.596 -6.317 -9.371 143 H TRP 26 H TRP 26 -1.628 -4.950 -6.119 144 HA TRP 26 HA TRP 26 -0.370 -4.007 -8.651 145 1HB TRP 26 2HB TRP 26 -1.020 -2.524 -6.086 146 2HB TRP 26 1HB TRP 26 -0.634 -1.811 -7.647 147 HD1 TRP 26 HD TRP 26 -2.529 -4.145 -9.152 148 HE1 TRP 26 1HE TRP 26 -5.060 -3.683 -9.194 149 HE3 TRP 26 3HE TRP 26 -2.864 -0.715 -5.392 150 HZ2 TRP 26 2HZ TRP 26 -6.978 -2.066 -7.823 151 HZ3 TRP 26 3HZ TRP 26 -5.055 0.272 -4.778 152 HH2 TRP 26 HH TRP 26 -7.111 -0.400 -5.989 153 H LYS 27 H LYS 27 0.524 -5.194 -5.532 154 HA LYS 27 HA LYS 27 2.632 -5.539 -4.562 155 1HB LYS 27 2HB LYS 27 3.010 -5.836 -7.168 156 2HB LYS 27 1HB LYS 27 3.931 -4.344 -6.987 157 1HG LYS 27 2HG LYS 27 4.600 -6.160 -4.844 158 2HG LYS 27 1HG LYS 27 4.792 -6.975 -6.395 159 1HD LYS 27 2HD LYS 27 5.995 -4.756 -7.112 160 2HD LYS 27 1HD LYS 27 6.177 -4.509 -5.376 161 1HE LYS 27 2HE LYS 27 8.139 -5.698 -5.890 162 2HE LYS 27 1HE LYS 27 7.046 -7.017 -5.423 163 1HZ LYS 27 1HZ LYS 27 7.348 -6.001 -8.202 164 2HZ LYS 27 2HZ LYS 27 6.448 -7.355 -7.702 165 3HZ LYS 27 3HZ LYS 27 8.144 -7.375 -7.605 166 H TRP 28 H TRP 28 1.251 -2.637 -4.779 167 HA TRP 28 HA TRP 28 3.581 -1.303 -3.472 168 1HB TRP 28 2HB TRP 28 3.173 0.743 -4.718 169 2HB TRP 28 1HB TRP 28 3.377 -0.579 -5.855 170 HD1 TRP 28 HD TRP 28 0.289 0.920 -3.998 171 HE1 TRP 28 1HE TRP 28 -1.592 1.210 -5.735 172 HE3 TRP 28 3HE TRP 28 2.673 -0.795 -8.165 173 HZ2 TRP 28 2HZ TRP 28 -2.027 0.770 -8.531 174 HZ3 TRP 28 3HZ TRP 28 1.511 -0.850 -10.351 175 HH2 TRP 28 HH TRP 28 -0.835 -0.070 -10.540 176 H CYS 29 H CYS 29 2.865 0.621 -2.140 177 HA CYS 29 HA CYS 29 0.538 -0.119 -0.529 178 1HB CYS 29 2HB CYS 29 2.914 0.984 0.016 179 2HB CYS 29 1HB CYS 29 1.996 2.473 -0.212 180 H VAL 30 H VAL 30 -1.462 0.831 -0.574 181 HA VAL 30 HA VAL 30 -1.931 3.067 -2.520 182 HB VAL 30 HB VAL 30 -4.210 2.080 -2.668 183 1HG1 VAL 30 1HG1 VAL 30 -3.054 1.079 -4.356 184 2HG1 VAL 30 2HG1 VAL 30 -3.226 -0.358 -3.349 185 3HG1 VAL 30 3HG1 VAL 30 -1.734 0.580 -3.298 186 1HG2 VAL 30 1HG2 VAL 30 -3.334 -0.337 -1.150 187 2HG2 VAL 30 2HG2 VAL 30 -4.948 0.351 -1.330 188 3HG2 VAL 30 3HG2 VAL 30 -3.799 1.077 -0.206 189 H TYR 31 H TYR 31 -4.418 3.868 -1.694 190 HA TYR 31 HA TYR 31 -3.826 5.233 0.859 191 1HB TYR 31 2HB TYR 31 -5.840 6.548 0.239 192 2HB TYR 31 1HB TYR 31 -4.684 6.475 -1.088 193 HD1 TYR 31 1HD TYR 31 -7.783 4.862 0.243 194 HD2 TYR 31 2HD TYR 31 -5.312 5.597 -3.191 195 HE1 TYR 31 1HE TYR 31 -9.527 3.880 -1.220 196 HE2 TYR 31 2HE TYR 31 -7.055 4.614 -4.656 197 HH TYR 31 HH TYR 31 -9.950 4.344 -4.139 198 H ALA 32 H ALA 32 -5.597 5.346 2.538 199 HA ALA 32 HA ALA 32 -6.875 2.659 2.878 200 1HB ALA 32 1HB ALA 32 -5.918 2.858 4.916 201 2HB ALA 32 2HB ALA 32 -6.976 4.230 5.244 202 3HB ALA 32 3HB ALA 32 -5.385 4.495 4.533 203 H ARG 33 H ARG 33 -8.885 3.135 4.600 204 HA ARG 33 HA ARG 33 -10.641 5.141 3.214 205 1HB ARG 33 2HB ARG 33 -10.891 2.291 3.902 206 2HB ARG 33 1HB ARG 33 -12.287 3.248 4.393 207 1HG ARG 33 2HG ARG 33 -12.995 3.090 2.256 208 2HG ARG 33 1HG ARG 33 -11.694 4.207 1.845 209 1HD ARG 33 2HD ARG 33 -10.644 2.581 0.672 210 2HD ARG 33 1HD ARG 33 -10.607 1.541 2.111 211 HE ARG 33 HE ARG 33 -12.996 1.727 0.307 212 1HH1 ARG 33 1HH1 ARG 33 -12.724 0.402 3.179 213 2HH1 ARG 33 2HH1 ARG 33 -12.717 -1.264 2.707 214 1HH2 ARG 33 1HH2 ARG 33 -12.174 -0.585 -0.655 215 2HH2 ARG 33 2HH2 ARG 33 -12.406 -1.823 0.533 216 HA PRO 34 HA PRO 34 -10.238 6.180 7.753 217 1HB PRO 34 2HB PRO 34 -9.623 8.824 7.397 218 2HB PRO 34 1HB PRO 34 -8.397 7.542 7.449 219 1HG PRO 34 2HG PRO 34 -9.579 8.933 5.098 220 2HG PRO 34 1HG PRO 34 -7.909 8.416 5.382 221 1HD PRO 34 2HD PRO 34 -9.650 7.049 3.796 222 2HD PRO 34 1HD PRO 34 -8.311 6.277 4.674 Start of MODEL 16 1 1H GLY 1 1HT GLY 1 10.802 9.651 3.128 2 2H GLY 1 2HT GLY 1 9.194 9.104 3.120 3 3H GLY 1 3HT GLY 1 10.435 8.109 2.524 4 1HA GLY 1 2HA GLY 1 11.412 7.959 4.732 5 2HA GLY 1 1HA GLY 1 10.109 8.978 5.345 6 H CYS 2 H CYS 2 7.846 8.128 4.926 7 HA CYS 2 HA CYS 2 7.773 5.221 5.538 8 1HB CYS 2 2HB CYS 2 5.539 5.736 6.331 9 2HB CYS 2 1HB CYS 2 6.619 7.006 6.904 10 H GLY 3 H GLY 3 5.362 4.410 4.595 11 1HA GLY 3 2HA GLY 3 5.821 4.153 1.723 12 2HA GLY 3 1HA GLY 3 4.507 3.406 2.634 13 H GLY 4 H GLY 4 3.780 4.421 0.245 14 1HA GLY 4 2HA GLY 4 2.095 6.731 1.021 15 2HA GLY 4 1HA GLY 4 3.149 6.950 -0.375 16 H LEU 5 H LEU 5 2.130 6.588 -2.277 17 HA LEU 5 HA LEU 5 -0.200 4.706 -2.309 18 1HB LEU 5 2HB LEU 5 0.067 7.361 -3.039 19 2HB LEU 5 1HB LEU 5 0.180 6.518 -4.585 20 HG LEU 5 HG LEU 5 -1.930 5.495 -2.791 21 1HD1 LEU 5 1HD1 LEU 5 -3.456 7.367 -3.189 22 2HD1 LEU 5 2HD1 LEU 5 -2.187 8.249 -4.038 23 3HD1 LEU 5 3HD1 LEU 5 -2.036 7.931 -2.309 24 1HD2 LEU 5 1HD2 LEU 5 -3.149 5.359 -4.861 25 2HD2 LEU 5 2HD2 LEU 5 -1.491 4.876 -5.216 26 3HD2 LEU 5 3HD2 LEU 5 -2.050 6.491 -5.651 27 H MET 6 H MET 6 2.996 4.536 -3.026 28 HA MET 6 HA MET 6 2.528 2.509 -5.138 29 1HB MET 6 2HB MET 6 3.163 5.099 -5.809 30 2HB MET 6 1HB MET 6 4.758 4.352 -5.725 31 1HG MET 6 2HG MET 6 4.301 3.708 -7.861 32 2HG MET 6 1HG MET 6 3.372 2.431 -7.077 33 1HE MET 6 1HE MET 6 3.212 6.056 -8.661 34 2HE MET 6 2HE MET 6 1.983 5.615 -9.843 35 3HE MET 6 3HE MET 6 3.464 4.667 -9.726 36 H ALA 7 H ALA 7 3.486 2.547 -2.275 37 HA ALA 7 HA ALA 7 6.366 2.045 -2.318 38 1HB ALA 7 1HB ALA 7 4.982 0.866 -0.075 39 2HB ALA 7 2HB ALA 7 4.275 2.440 -0.434 40 3HB ALA 7 3HB ALA 7 6.001 2.305 -0.102 41 H GLY 8 H GLY 8 7.238 0.205 -3.180 42 1HA GLY 8 2HA GLY 8 5.900 -2.027 -4.170 43 2HA GLY 8 1HA GLY 8 7.570 -2.082 -3.615 44 H CYS 9 H CYS 9 4.840 -3.710 -3.272 45 HA CYS 9 HA CYS 9 5.085 -4.155 -0.320 46 1HB CYS 9 2HB CYS 9 2.912 -3.450 -1.589 47 2HB CYS 9 1HB CYS 9 2.874 -5.129 -2.126 48 H ASP 10 H ASP 10 6.772 -5.329 -2.637 49 HA ASP 10 HA ASP 10 6.113 -8.096 -2.990 50 1HB ASP 10 2HB ASP 10 7.742 -6.555 -4.250 51 2HB ASP 10 1HB ASP 10 8.884 -6.878 -2.944 52 H GLY 11 H GLY 11 7.535 -6.381 -0.290 53 1HA GLY 11 2HA GLY 11 8.840 -8.696 0.899 54 2HA GLY 11 1HA GLY 11 8.551 -7.149 1.692 55 H LYS 12 H LYS 12 5.591 -7.935 0.512 56 HA LYS 12 HA LYS 12 3.622 -8.790 1.461 57 1HB LYS 12 2HB LYS 12 5.642 -10.687 2.713 58 2HB LYS 12 1HB LYS 12 3.908 -10.974 2.596 59 1HG LYS 12 2HG LYS 12 3.979 -11.130 0.226 60 2HG LYS 12 1HG LYS 12 5.592 -10.424 0.149 61 1HD LYS 12 2HD LYS 12 5.442 -12.851 1.808 62 2HD LYS 12 1HD LYS 12 5.055 -13.127 0.112 63 1HE LYS 12 2HE LYS 12 7.394 -13.373 0.112 64 2HE LYS 12 1HE LYS 12 7.222 -11.660 -0.314 65 1HZ LYS 12 1HZ LYS 12 8.727 -12.353 1.680 66 2HZ LYS 12 2HZ LYS 12 7.259 -12.435 2.526 67 3HZ LYS 12 3HZ LYS 12 7.745 -10.979 1.800 68 H SER 13 H SER 13 5.385 -6.753 2.971 69 HA SER 13 HA SER 13 3.725 -6.490 5.317 70 1HB SER 13 2HB SER 13 5.312 -8.511 5.749 71 2HB SER 13 1HB SER 13 6.573 -7.295 5.927 72 HG SER 13 HG SER 13 4.401 -7.889 7.547 73 H THR 14 H THR 14 4.750 -4.756 3.189 74 HA THR 14 HA THR 14 6.910 -3.100 4.198 75 HB THR 14 HB THR 14 6.364 -3.247 1.818 76 HG1 THR 14 1HG THR 14 6.523 -1.117 1.407 77 1HG2 THR 14 1HG2 THR 14 4.011 -1.635 1.656 78 2HG2 THR 14 2HG2 THR 14 3.678 -2.971 2.756 79 3HG2 THR 14 3HG2 THR 14 4.233 -3.296 1.115 80 H PHE 15 H PHE 15 6.591 -2.120 6.178 81 HA PHE 15 HA PHE 15 4.029 -1.211 7.160 82 1HB PHE 15 2HB PHE 15 6.807 -1.386 7.998 83 2HB PHE 15 1HB PHE 15 6.111 0.155 8.492 84 HD1 PHE 15 1HD PHE 15 4.610 -3.271 8.135 85 HD2 PHE 15 2HD PHE 15 5.523 0.015 10.751 86 HE1 PHE 15 1HE PHE 15 3.400 -4.402 9.980 87 HE2 PHE 15 2HE PHE 15 4.313 -1.118 12.596 88 HZ PHE 15 HZ PHE 15 3.251 -3.327 12.209 89 H CYS 16 H CYS 16 3.001 0.359 5.939 90 HA CYS 16 HA CYS 16 4.463 2.553 4.659 91 1HB CYS 16 2HB CYS 16 1.502 1.996 5.053 92 2HB CYS 16 1HB CYS 16 2.179 3.175 3.928 93 H CYS 17 H CYS 17 2.836 4.757 5.078 94 HA CYS 17 HA CYS 17 3.814 5.852 7.533 95 1HB CYS 17 2HB CYS 17 2.419 6.666 5.188 96 2HB CYS 17 1HB CYS 17 1.494 7.246 6.572 97 H SER 18 H SER 18 0.362 5.357 6.701 98 HA SER 18 HA SER 18 -0.277 3.974 9.166 99 1HB SER 18 2HB SER 18 -0.036 6.858 9.183 100 2HB SER 18 1HB SER 18 -1.691 6.389 9.562 101 HG SER 18 HG SER 18 -0.999 5.311 11.305 102 H GLY 19 H GLY 19 -1.587 6.244 6.741 103 1HA GLY 19 2HA GLY 19 -4.121 4.680 6.693 104 2HA GLY 19 1HA GLY 19 -3.925 6.310 6.053 105 H TYR 20 H TYR 20 -1.585 3.754 5.453 106 HA TYR 20 HA TYR 20 -2.477 3.691 2.581 107 1HB TYR 20 2HB TYR 20 0.275 3.720 3.859 108 2HB TYR 20 1HB TYR 20 0.010 3.383 2.151 109 HD1 TYR 20 1HD TYR 20 0.885 5.905 4.347 110 HD2 TYR 20 2HD TYR 20 -1.774 5.172 1.055 111 HE1 TYR 20 1HE TYR 20 0.799 8.337 3.877 112 HE2 TYR 20 2HE TYR 20 -1.862 7.605 0.585 113 HH TYR 20 HH TYR 20 -1.278 9.866 2.481 114 H ASN 21 H ASN 21 -3.166 1.649 2.040 115 HA ASN 21 HA ASN 21 -2.049 -0.709 3.529 116 1HB ASN 21 2HB ASN 21 -4.624 0.128 3.256 117 2HB ASN 21 1HB ASN 21 -4.494 -0.926 1.848 118 1HD2 ASN 21 1HD2 ASN 21 -4.310 -3.214 2.209 119 2HD2 ASN 21 2HD2 ASN 21 -4.422 -3.907 3.754 120 H CYS 22 H CYS 22 -1.903 -2.748 2.095 121 HA CYS 22 HA CYS 22 -0.570 -2.020 -0.449 122 1HB CYS 22 2HB CYS 22 -0.721 -4.344 1.414 123 2HB CYS 22 1HB CYS 22 -0.328 -4.693 -0.269 124 H SER 23 H SER 23 -1.287 -2.668 -2.500 125 HA SER 23 HA SER 23 -4.147 -3.410 -2.725 126 1HB SER 23 2HB SER 23 -2.481 -1.693 -4.065 127 2HB SER 23 1HB SER 23 -2.463 -3.088 -5.138 128 HG SER 23 HG SER 23 -4.522 -1.359 -4.466 129 HA PRO 24 HA PRO 24 -3.220 -7.638 -3.596 130 1HB PRO 24 2HB PRO 24 -5.525 -8.343 -4.882 131 2HB PRO 24 1HB PRO 24 -5.439 -8.074 -3.131 132 1HG PRO 24 2HG PRO 24 -6.485 -6.301 -5.269 133 2HG PRO 24 1HG PRO 24 -7.054 -6.529 -3.609 134 1HD PRO 24 2HD PRO 24 -5.540 -4.394 -4.465 135 2HD PRO 24 1HD PRO 24 -5.646 -4.948 -2.781 136 H THR 25 H THR 25 -4.083 -5.430 -6.209 137 HA THR 25 HA THR 25 -2.924 -7.340 -8.206 138 HB THR 25 HB THR 25 -4.700 -4.909 -8.593 139 HG1 THR 25 1HG THR 25 -6.102 -6.251 -7.776 140 1HG2 THR 25 1HG2 THR 25 -3.266 -5.672 -10.537 141 2HG2 THR 25 2HG2 THR 25 -5.002 -5.715 -10.838 142 3HG2 THR 25 3HG2 THR 25 -4.133 -7.207 -10.480 143 H TRP 26 H TRP 26 -2.654 -4.045 -6.923 144 HA TRP 26 HA TRP 26 -0.705 -3.203 -8.945 145 1HB TRP 26 2HB TRP 26 -1.459 -1.982 -6.272 146 2HB TRP 26 1HB TRP 26 -0.632 -1.169 -7.594 147 HD1 TRP 26 HD TRP 26 -2.780 -2.956 -9.619 148 HE1 TRP 26 1HE TRP 26 -5.050 -1.816 -10.037 149 HE3 TRP 26 3HE TRP 26 -2.794 0.413 -5.791 150 HZ2 TRP 26 2HZ TRP 26 -6.659 0.258 -8.905 151 HZ3 TRP 26 3HZ TRP 26 -4.703 1.960 -5.482 152 HH2 TRP 26 HH TRP 26 -6.635 1.887 -7.034 153 H LYS 27 H LYS 27 -0.568 -4.849 -5.883 154 HA LYS 27 HA LYS 27 1.245 -5.785 -4.723 155 1HB LYS 27 2HB LYS 27 1.932 -5.598 -7.461 156 2HB LYS 27 1HB LYS 27 3.357 -5.077 -6.564 157 1HG LYS 27 2HG LYS 27 1.906 -7.524 -5.631 158 2HG LYS 27 1HG LYS 27 2.930 -7.649 -7.060 159 1HD LYS 27 2HD LYS 27 4.869 -7.262 -5.880 160 2HD LYS 27 1HD LYS 27 4.065 -6.238 -4.691 161 1HE LYS 27 2HE LYS 27 4.181 -8.049 -3.309 162 2HE LYS 27 1HE LYS 27 2.872 -8.726 -4.298 163 1HZ LYS 27 1HZ LYS 27 4.777 -10.221 -4.257 164 2HZ LYS 27 2HZ LYS 27 5.782 -8.990 -4.855 165 3HZ LYS 27 3HZ LYS 27 4.532 -9.615 -5.822 166 H TRP 28 H TRP 28 0.647 -2.696 -4.650 167 HA TRP 28 HA TRP 28 3.104 -2.091 -3.094 168 1HB TRP 28 2HB TRP 28 3.405 0.065 -4.214 169 2HB TRP 28 1HB TRP 28 3.480 -1.242 -5.384 170 HD1 TRP 28 HD TRP 28 0.433 0.718 -3.960 171 HE1 TRP 28 1HE TRP 28 -0.931 1.599 -5.960 172 HE3 TRP 28 3HE TRP 28 3.349 -0.925 -7.803 173 HZ2 TRP 28 2HZ TRP 28 -0.800 1.610 -8.815 174 HZ3 TRP 28 3HZ TRP 28 2.713 -0.466 -10.153 175 HH2 TRP 28 HH TRP 28 0.644 0.800 -10.664 176 H CYS 29 H CYS 29 2.802 -0.060 -1.749 177 HA CYS 29 HA CYS 29 0.327 -0.214 -0.279 178 1HB CYS 29 2HB CYS 29 2.797 0.516 0.335 179 2HB CYS 29 1HB CYS 29 2.205 2.119 -0.101 180 H VAL 30 H VAL 30 -1.470 1.051 -0.378 181 HA VAL 30 HA VAL 30 -1.533 3.417 -2.215 182 HB VAL 30 HB VAL 30 -3.769 2.551 -2.956 183 1HG1 VAL 30 1HG1 VAL 30 -2.417 1.814 -4.608 184 2HG1 VAL 30 2HG1 VAL 30 -2.545 0.234 -3.837 185 3HG1 VAL 30 3HG1 VAL 30 -1.179 1.285 -3.473 186 1HG2 VAL 30 1HG2 VAL 30 -3.037 -0.065 -1.642 187 2HG2 VAL 30 2HG2 VAL 30 -4.603 0.456 -2.260 188 3HG2 VAL 30 3HG2 VAL 30 -3.972 1.148 -0.766 189 H TYR 31 H TYR 31 -3.866 4.509 -1.760 190 HA TYR 31 HA TYR 31 -3.899 5.420 0.955 191 1HB TYR 31 2HB TYR 31 -5.994 6.511 0.259 192 2HB TYR 31 1HB TYR 31 -4.821 6.607 -1.054 193 HD1 TYR 31 1HD TYR 31 -5.189 5.486 -3.146 194 HD2 TYR 31 2HD TYR 31 -7.829 4.797 0.174 195 HE1 TYR 31 1HE TYR 31 -6.759 4.284 -4.642 196 HE2 TYR 31 2HE TYR 31 -9.397 3.596 -1.323 197 HH TYR 31 HH TYR 31 -9.019 2.251 -3.678 198 H ALA 32 H ALA 32 -5.609 5.031 2.578 199 HA ALA 32 HA ALA 32 -6.960 2.361 2.314 200 1HB ALA 32 1HB ALA 32 -5.646 3.509 4.798 201 2HB ALA 32 2HB ALA 32 -4.835 2.394 3.697 202 3HB ALA 32 3HB ALA 32 -6.267 1.873 4.584 203 H ARG 33 H ARG 33 -8.714 2.181 4.123 204 HA ARG 33 HA ARG 33 -10.137 4.817 4.334 205 1HB ARG 33 2HB ARG 33 -10.924 2.005 3.713 206 2HB ARG 33 1HB ARG 33 -12.086 2.981 4.613 207 1HG ARG 33 2HG ARG 33 -11.894 4.755 2.870 208 2HG ARG 33 1HG ARG 33 -10.828 3.695 1.948 209 1HD ARG 33 2HD ARG 33 -12.571 2.097 1.577 210 2HD ARG 33 1HD ARG 33 -13.619 2.855 2.792 211 HE ARG 33 HE ARG 33 -14.158 4.542 1.213 212 1HH1 ARG 33 1HH2 ARG 33 -13.473 2.288 -0.797 213 2HH1 ARG 33 2HH2 ARG 33 -12.483 3.161 -1.919 214 1HH2 ARG 33 1HH1 ARG 33 -11.988 5.864 0.209 215 2HH2 ARG 33 2HH1 ARG 33 -11.642 5.189 -1.349 216 HA PRO 34 HA PRO 34 -9.893 4.355 8.718 217 1HB PRO 34 2HB PRO 34 -11.994 5.957 9.445 218 2HB PRO 34 1HB PRO 34 -10.445 6.595 8.857 219 1HG PRO 34 2HG PRO 34 -13.024 6.259 7.414 220 2HG PRO 34 1HG PRO 34 -11.830 7.562 7.306 221 1HD PRO 34 2HD PRO 34 -12.060 5.561 5.461 222 2HD PRO 34 1HD PRO 34 -10.548 6.436 5.785 Start of MODEL 17 1 1H GLY 1 1HT GLY 1 10.912 4.719 7.042 2 2H GLY 1 2HT GLY 1 11.294 3.900 5.603 3 3H GLY 1 3HT GLY 1 11.827 3.292 7.097 4 1HA GLY 1 2HA GLY 1 9.851 2.131 6.069 5 2HA GLY 1 1HA GLY 1 9.685 2.644 7.748 6 H CYS 2 H CYS 2 9.311 4.191 4.529 7 HA CYS 2 HA CYS 2 6.518 4.928 5.218 8 1HB CYS 2 2HB CYS 2 7.757 6.747 6.180 9 2HB CYS 2 1HB CYS 2 8.818 6.852 4.777 10 H GLY 3 H GLY 3 5.313 4.650 3.380 11 1HA GLY 3 2HA GLY 3 6.727 4.699 0.747 12 2HA GLY 3 1HA GLY 3 5.266 3.766 1.077 13 H GLY 4 H GLY 4 3.450 4.661 0.251 14 1HA GLY 4 2HA GLY 4 2.522 7.273 0.712 15 2HA GLY 4 1HA GLY 4 3.387 7.335 -0.823 16 H LEU 5 H LEU 5 1.917 7.257 -2.450 17 HA LEU 5 HA LEU 5 -0.475 5.483 -2.146 18 1HB LEU 5 2HB LEU 5 -0.171 8.144 -2.839 19 2HB LEU 5 1HB LEU 5 -0.360 7.355 -4.406 20 HG LEU 5 HG LEU 5 -2.215 6.340 -2.369 21 1HD1 LEU 5 1HD1 LEU 5 -1.856 8.924 -1.946 22 2HD1 LEU 5 2HD1 LEU 5 -3.482 8.246 -1.969 23 3HD1 LEU 5 3HD1 LEU 5 -2.857 9.086 -3.388 24 1HD2 LEU 5 1HD2 LEU 5 -3.769 6.483 -4.203 25 2HD2 LEU 5 2HD2 LEU 5 -2.234 5.934 -4.874 26 3HD2 LEU 5 3HD2 LEU 5 -2.729 7.614 -5.070 27 H MET 6 H MET 6 2.553 5.572 -3.691 28 HA MET 6 HA MET 6 1.752 3.358 -5.499 29 1HB MET 6 2HB MET 6 2.339 6.117 -6.261 30 2HB MET 6 1HB MET 6 3.427 4.980 -7.056 31 1HG MET 6 2HG MET 6 1.754 4.627 -8.535 32 2HG MET 6 1HG MET 6 0.953 3.731 -7.244 33 1HE MET 6 1HE MET 6 -0.763 6.954 -9.493 34 2HE MET 6 2HE MET 6 -0.880 5.197 -9.564 35 3HE MET 6 3HE MET 6 0.683 5.979 -9.788 36 H ALA 7 H ALA 7 3.440 3.721 -3.025 37 HA ALA 7 HA ALA 7 6.228 3.412 -3.930 38 1HB ALA 7 1HB ALA 7 5.013 2.966 -1.188 39 2HB ALA 7 2HB ALA 7 5.390 4.570 -1.817 40 3HB ALA 7 3HB ALA 7 6.681 3.398 -1.566 41 H GLY 8 H GLY 8 7.405 1.451 -3.852 42 1HA GLY 8 2HA GLY 8 6.040 -0.968 -4.438 43 2HA GLY 8 1HA GLY 8 7.734 -0.866 -3.959 44 H CYS 9 H CYS 9 4.961 -2.341 -3.109 45 HA CYS 9 HA CYS 9 5.674 -2.365 -0.191 46 1HB CYS 9 2HB CYS 9 3.329 -2.452 0.293 47 2HB CYS 9 1HB CYS 9 3.519 -1.193 -0.925 48 H ASP 10 H ASP 10 6.320 -4.180 -2.666 49 HA ASP 10 HA ASP 10 5.027 -6.656 -2.602 50 1HB ASP 10 2HB ASP 10 6.843 -5.931 -4.137 51 2HB ASP 10 1HB ASP 10 8.004 -6.087 -2.819 52 H GLY 11 H GLY 11 4.444 -7.635 -0.683 53 1HA GLY 11 2HA GLY 11 5.916 -9.277 0.856 54 2HA GLY 11 1HA GLY 11 6.327 -7.724 1.587 55 H LYS 12 H LYS 12 4.542 -10.196 2.343 56 HA LYS 12 HA LYS 12 1.849 -9.209 2.638 57 1HB LYS 12 2HB LYS 12 1.573 -11.188 3.990 58 2HB LYS 12 1HB LYS 12 2.700 -11.600 2.701 59 1HG LYS 12 2HG LYS 12 4.213 -10.535 4.886 60 2HG LYS 12 1HG LYS 12 3.117 -11.760 5.525 61 1HD LYS 12 2HD LYS 12 3.965 -13.430 4.035 62 2HD LYS 12 1HD LYS 12 4.837 -12.229 3.080 63 1HE LYS 12 2HE LYS 12 5.466 -12.535 6.015 64 2HE LYS 12 1HE LYS 12 6.187 -13.642 4.831 65 1HZ LYS 12 1HZ LYS 12 7.586 -11.703 5.077 66 2HZ LYS 12 2HZ LYS 12 6.281 -10.668 4.743 67 3HZ LYS 12 3HZ LYS 12 6.887 -11.695 3.532 68 H SER 13 H SER 13 4.749 -8.393 4.312 69 HA SER 13 HA SER 13 3.133 -7.081 6.470 70 1HB SER 13 2HB SER 13 4.683 -9.294 6.817 71 2HB SER 13 1HB SER 13 5.876 -8.031 7.102 72 HG SER 13 HG SER 13 4.673 -7.266 8.762 73 H THR 14 H THR 14 4.119 -5.870 3.992 74 HA THR 14 HA THR 14 6.593 -4.437 4.454 75 HB THR 14 HB THR 14 5.463 -4.881 2.237 76 HG1 THR 14 1HG THR 14 6.649 -3.280 1.649 77 1HG2 THR 14 1HG2 THR 14 3.188 -4.052 3.365 78 2HG2 THR 14 2HG2 THR 14 3.472 -3.885 1.634 79 3HG2 THR 14 3HG2 THR 14 3.715 -2.504 2.703 80 H PHE 15 H PHE 15 6.841 -2.221 5.119 81 HA PHE 15 HA PHE 15 4.575 -1.205 6.797 82 1HB PHE 15 2HB PHE 15 7.532 -1.343 7.002 83 2HB PHE 15 1HB PHE 15 6.806 0.150 7.596 84 HD1 PHE 15 1HD PHE 15 4.412 -0.418 8.899 85 HD2 PHE 15 2HD PHE 15 7.883 -2.938 8.654 86 HE1 PHE 15 1HE PHE 15 3.714 -1.582 10.975 87 HE2 PHE 15 2HE PHE 15 7.184 -4.101 10.730 88 HZ PHE 15 HZ PHE 15 5.099 -3.425 11.889 89 H CYS 16 H CYS 16 3.589 0.647 6.128 90 HA CYS 16 HA CYS 16 4.878 2.278 3.979 91 1HB CYS 16 2HB CYS 16 2.404 1.137 4.191 92 2HB CYS 16 1HB CYS 16 2.070 2.750 4.821 93 H CYS 17 H CYS 17 3.269 4.635 4.504 94 HA CYS 17 HA CYS 17 4.810 5.756 6.774 95 1HB CYS 17 2HB CYS 17 4.095 6.628 4.246 96 2HB CYS 17 1HB CYS 17 2.970 7.498 5.287 97 H SER 18 H SER 18 1.444 6.287 5.685 98 HA SER 18 HA SER 18 0.267 5.451 8.217 99 1HB SER 18 2HB SER 18 -0.396 7.795 8.867 100 2HB SER 18 1HB SER 18 1.337 7.501 8.962 101 HG SER 18 HG SER 18 -0.071 9.215 7.376 102 H GLY 19 H GLY 19 -1.806 4.856 7.700 103 1HA GLY 19 2HA GLY 19 -3.932 4.900 6.688 104 2HA GLY 19 1HA GLY 19 -3.542 6.498 6.055 105 H TYR 20 H TYR 20 -1.314 3.899 5.387 106 HA TYR 20 HA TYR 20 -2.434 3.640 2.619 107 1HB TYR 20 2HB TYR 20 0.412 4.137 3.543 108 2HB TYR 20 1HB TYR 20 0.003 3.657 1.897 109 HD1 TYR 20 1HD TYR 20 -2.292 5.122 1.114 110 HD2 TYR 20 2HD TYR 20 0.906 6.405 3.679 111 HE1 TYR 20 1HE TYR 20 -2.787 7.483 0.548 112 HE2 TYR 20 2HE TYR 20 0.409 8.768 3.114 113 HH TYR 20 HH TYR 20 -0.826 9.898 0.865 114 H ASN 21 H ASN 21 -2.618 1.519 1.983 115 HA ASN 21 HA ASN 21 -1.168 -0.564 3.591 116 1HB ASN 21 2HB ASN 21 -3.764 -0.224 3.643 117 2HB ASN 21 1HB ASN 21 -3.728 -0.987 2.054 118 1HD2 ASN 21 1HD2 ASN 21 -2.859 -1.529 5.486 119 2HD2 ASN 21 2HD2 ASN 21 -2.859 -3.222 5.381 120 H CYS 22 H CYS 22 -0.716 -2.596 2.314 121 HA CYS 22 HA CYS 22 0.355 -1.888 -0.349 122 1HB CYS 22 2HB CYS 22 1.744 -3.092 1.231 123 2HB CYS 22 1HB CYS 22 0.505 -4.329 1.444 124 H SER 23 H SER 23 -0.467 -2.639 -2.278 125 HA SER 23 HA SER 23 -2.975 -4.273 -2.169 126 1HB SER 23 2HB SER 23 -2.194 -1.855 -3.441 127 2HB SER 23 1HB SER 23 -2.384 -3.051 -4.720 128 HG SER 23 HG SER 23 -4.303 -1.772 -3.787 129 HA PRO 24 HA PRO 24 -0.569 -7.498 -4.063 130 1HB PRO 24 2HB PRO 24 -2.627 -9.202 -4.630 131 2HB PRO 24 1HB PRO 24 -1.979 -8.982 -2.993 132 1HG PRO 24 2HG PRO 24 -4.449 -7.879 -4.215 133 2HG PRO 24 1HG PRO 24 -4.153 -8.420 -2.557 134 1HD PRO 24 2HD PRO 24 -4.209 -5.786 -3.353 135 2HD PRO 24 1HD PRO 24 -3.375 -6.384 -1.904 136 H THR 25 H THR 25 -3.471 -6.190 -5.637 137 HA THR 25 HA THR 25 -2.869 -7.246 -8.280 138 HB THR 25 HB THR 25 -4.647 -4.947 -7.398 139 HG1 THR 25 1HG THR 25 -5.690 -6.482 -6.446 140 1HG2 THR 25 1HG2 THR 25 -3.997 -5.818 -9.962 141 2HG2 THR 25 2HG2 THR 25 -5.409 -4.860 -9.518 142 3HG2 THR 25 3HG2 THR 25 -5.533 -6.616 -9.622 143 H TRP 26 H TRP 26 -2.249 -4.180 -6.606 144 HA TRP 26 HA TRP 26 -0.971 -3.043 -9.046 145 1HB TRP 26 2HB TRP 26 -1.468 -1.810 -6.319 146 2HB TRP 26 1HB TRP 26 -1.106 -0.959 -7.819 147 HD1 TRP 26 HD TRP 26 -3.917 -2.592 -5.911 148 HE1 TRP 26 1HE TRP 26 -6.139 -2.222 -7.159 149 HE3 TRP 26 3HE TRP 26 -2.154 -0.641 -10.288 150 HZ2 TRP 26 2HZ TRP 26 -7.052 -1.223 -9.677 151 HZ3 TRP 26 3HZ TRP 26 -3.721 0.011 -12.092 152 HH2 TRP 26 HH TRP 26 -6.165 -0.277 -11.793 153 H LYS 27 H LYS 27 -0.143 -4.508 -6.002 154 HA LYS 27 HA LYS 27 1.934 -5.135 -5.114 155 1HB LYS 27 2HB LYS 27 2.229 -5.104 -7.825 156 2HB LYS 27 1HB LYS 27 3.479 -3.958 -7.343 157 1HG LYS 27 2HG LYS 27 4.434 -6.198 -7.392 158 2HG LYS 27 1HG LYS 27 4.344 -5.649 -5.718 159 1HD LYS 27 2HD LYS 27 2.372 -6.968 -5.309 160 2HD LYS 27 1HD LYS 27 2.203 -7.351 -7.023 161 1HE LYS 27 2HE LYS 27 4.848 -8.091 -6.040 162 2HE LYS 27 1HE LYS 27 3.560 -8.903 -5.129 163 1HZ LYS 27 1HZ LYS 27 2.510 -9.499 -7.238 164 2HZ LYS 27 2HZ LYS 27 4.079 -10.142 -7.134 165 3HZ LYS 27 3HZ LYS 27 3.782 -8.771 -8.092 166 H TRP 28 H TRP 28 0.869 -2.075 -5.171 167 HA TRP 28 HA TRP 28 3.328 -1.106 -3.783 168 1HB TRP 28 2HB TRP 28 3.105 1.070 -4.887 169 2HB TRP 28 1HB TRP 28 3.267 -0.205 -6.084 170 HD1 TRP 28 HD TRP 28 0.190 1.330 -4.261 171 HE1 TRP 28 1HE TRP 28 -1.580 1.888 -6.047 172 HE3 TRP 28 3HE TRP 28 2.676 -0.150 -8.465 173 HZ2 TRP 28 2HZ TRP 28 -1.905 1.731 -8.878 174 HZ3 TRP 28 3HZ TRP 28 1.614 0.067 -10.694 175 HH2 TRP 28 HH TRP 28 -0.671 1.004 -10.906 176 H CYS 29 H CYS 29 2.852 0.762 -2.312 177 HA CYS 29 HA CYS 29 0.619 0.180 -0.597 178 1HB CYS 29 2HB CYS 29 3.012 1.363 -0.321 179 2HB CYS 29 1HB CYS 29 2.025 2.811 -0.501 180 H VAL 30 H VAL 30 -1.388 1.123 -0.472 181 HA VAL 30 HA VAL 30 -2.003 3.496 -2.188 182 HB VAL 30 HB VAL 30 -4.061 2.329 -2.910 183 1HG1 VAL 30 1HG1 VAL 30 -1.834 0.356 -3.347 184 2HG1 VAL 30 2HG1 VAL 30 -1.717 1.986 -4.011 185 3HG1 VAL 30 3HG1 VAL 30 -3.048 0.932 -4.489 186 1HG2 VAL 30 1HG2 VAL 30 -3.513 -0.354 -2.186 187 2HG2 VAL 30 2HG2 VAL 30 -4.860 0.645 -1.642 188 3HG2 VAL 30 3HG2 VAL 30 -3.367 0.592 -0.707 189 H TYR 31 H TYR 31 -4.529 4.045 -1.535 190 HA TYR 31 HA TYR 31 -4.435 4.838 1.250 191 1HB TYR 31 2HB TYR 31 -5.956 5.342 -1.129 192 2HB TYR 31 1HB TYR 31 -7.083 4.967 0.175 193 HD1 TYR 31 1HD TYR 31 -6.525 6.119 2.503 194 HD2 TYR 31 2HD TYR 31 -5.153 7.522 -1.319 195 HE1 TYR 31 1HE TYR 31 -6.158 8.375 3.463 196 HE2 TYR 31 2HE TYR 31 -4.787 9.780 -0.358 197 HH TYR 31 HH TYR 31 -6.074 10.957 2.110 198 H ALA 32 H ALA 32 -5.360 3.850 3.037 199 HA ALA 32 HA ALA 32 -6.651 1.181 2.601 200 1HB ALA 32 1HB ALA 32 -4.495 1.518 3.946 201 2HB ALA 32 2HB ALA 32 -5.787 0.647 4.773 202 3HB ALA 32 3HB ALA 32 -5.489 2.345 5.146 203 H ARG 33 H ARG 33 -8.861 1.230 2.787 204 HA ARG 33 HA ARG 33 -10.150 2.487 5.089 205 1HB ARG 33 2HB ARG 33 -11.376 4.171 3.816 206 2HB ARG 33 1HB ARG 33 -9.651 4.389 3.532 207 1HG ARG 33 2HG ARG 33 -10.264 4.395 1.336 208 2HG ARG 33 1HG ARG 33 -10.269 2.642 1.530 209 1HD ARG 33 2HD ARG 33 -12.553 2.513 1.427 210 2HD ARG 33 1HD ARG 33 -12.773 4.005 2.359 211 HE ARG 33 HE ARG 33 -12.620 5.257 0.336 212 1HH1 ARG 33 1HH2 ARG 33 -14.088 3.026 -0.957 213 2HH1 ARG 33 2HH2 ARG 33 -13.067 2.621 -2.296 214 1HH2 ARG 33 1HH1 ARG 33 -10.288 4.269 -1.015 215 2HH2 ARG 33 2HH1 ARG 33 -10.908 3.327 -2.328 216 HA PRO 34 HA PRO 34 -13.107 -0.624 4.088 217 1HB PRO 34 2HB PRO 34 -15.308 0.368 5.381 218 2HB PRO 34 1HB PRO 34 -13.932 -0.362 6.233 219 1HG PRO 34 2HG PRO 34 -14.600 2.511 5.827 220 2HG PRO 34 1HG PRO 34 -13.930 1.698 7.250 221 1HD PRO 34 2HD PRO 34 -12.427 3.158 5.510 222 2HD PRO 34 1HD PRO 34 -11.785 1.801 6.463 Start of MODEL 18 1 1H GLY 1 1HT GLY 1 12.528 8.736 7.265 2 2H GLY 1 2HT GLY 1 12.663 7.231 6.491 3 3H GLY 1 3HT GLY 1 11.480 7.473 7.685 4 1HA GLY 1 2HA GLY 1 10.387 9.128 6.271 5 2HA GLY 1 1HA GLY 1 11.582 8.782 5.021 6 H CYS 2 H CYS 2 8.494 8.140 5.737 7 HA CYS 2 HA CYS 2 8.444 5.235 5.237 8 1HB CYS 2 2HB CYS 2 6.008 5.586 5.445 9 2HB CYS 2 1HB CYS 2 6.868 6.380 6.763 10 H GLY 3 H GLY 3 6.462 4.766 3.479 11 1HA GLY 3 2HA GLY 3 7.628 5.595 0.911 12 2HA GLY 3 1HA GLY 3 6.340 4.413 1.131 13 H GLY 4 H GLY 4 4.336 5.061 0.510 14 1HA GLY 4 2HA GLY 4 3.079 7.508 1.091 15 2HA GLY 4 1HA GLY 4 3.854 7.723 -0.479 16 H LEU 5 H LEU 5 2.627 7.161 -2.212 17 HA LEU 5 HA LEU 5 0.322 5.292 -1.767 18 1HB LEU 5 2HB LEU 5 0.464 7.909 -2.719 19 2HB LEU 5 1HB LEU 5 0.296 6.942 -4.184 20 HG LEU 5 HG LEU 5 -1.461 6.241 -1.876 21 1HD1 LEU 5 1HD1 LEU 5 -2.961 8.098 -3.298 22 2HD1 LEU 5 2HD1 LEU 5 -1.390 8.884 -3.136 23 3HD1 LEU 5 3HD1 LEU 5 -2.261 8.349 -1.699 24 1HD2 LEU 5 1HD2 LEU 5 -1.620 4.918 -3.890 25 2HD2 LEU 5 2HD2 LEU 5 -1.737 6.364 -4.894 26 3HD2 LEU 5 3HD2 LEU 5 -3.063 5.930 -3.814 27 H MET 6 H MET 6 3.364 5.038 -2.863 28 HA MET 6 HA MET 6 2.635 2.973 -4.872 29 1HB MET 6 2HB MET 6 3.159 5.446 -5.748 30 2HB MET 6 1HB MET 6 4.823 4.895 -5.564 31 1HG MET 6 2HG MET 6 4.523 3.118 -7.105 32 2HG MET 6 1HG MET 6 2.764 3.250 -7.036 33 1HE MET 6 1HE MET 6 2.554 3.603 -9.995 34 2HE MET 6 2HE MET 6 4.007 2.802 -9.402 35 3HE MET 6 3HE MET 6 4.144 4.089 -10.598 36 H ALA 7 H ALA 7 3.730 2.857 -2.142 37 HA ALA 7 HA ALA 7 6.601 2.407 -2.242 38 1HB ALA 7 1HB ALA 7 5.477 1.000 -0.081 39 2HB ALA 7 2HB ALA 7 4.392 2.363 -0.344 40 3HB ALA 7 3HB ALA 7 6.106 2.647 -0.043 41 H GLY 8 H GLY 8 7.598 0.606 -3.080 42 1HA GLY 8 2HA GLY 8 6.237 -1.551 -4.305 43 2HA GLY 8 1HA GLY 8 7.929 -1.604 -3.809 44 H CYS 9 H CYS 9 4.961 -3.027 -3.313 45 HA CYS 9 HA CYS 9 5.395 -3.690 -0.455 46 1HB CYS 9 2HB CYS 9 3.162 -3.107 -1.127 47 2HB CYS 9 1HB CYS 9 3.222 -4.209 -2.501 48 H ASP 10 H ASP 10 4.187 -5.908 -2.949 49 HA ASP 10 HA ASP 10 4.785 -8.142 -3.422 50 1HB ASP 10 2HB ASP 10 7.382 -6.609 -3.195 51 2HB ASP 10 1HB ASP 10 7.358 -8.302 -3.684 52 H GLY 11 H GLY 11 3.931 -8.212 -0.902 53 1HA GLY 11 2HA GLY 11 5.509 -10.246 0.379 54 2HA GLY 11 1HA GLY 11 5.678 -8.708 1.232 55 H LYS 12 H LYS 12 4.484 -9.238 3.069 56 HA LYS 12 HA LYS 12 1.562 -9.743 2.609 57 1HB LYS 12 2HB LYS 12 1.614 -11.233 4.517 58 2HB LYS 12 1HB LYS 12 2.903 -11.709 3.413 59 1HG LYS 12 2HG LYS 12 3.904 -9.717 5.244 60 2HG LYS 12 1HG LYS 12 3.148 -11.023 6.156 61 1HD LYS 12 2HD LYS 12 4.495 -12.677 4.928 62 2HD LYS 12 1HD LYS 12 5.242 -11.384 3.991 63 1HE LYS 12 2HE LYS 12 5.356 -11.272 7.000 64 2HE LYS 12 1HE LYS 12 6.503 -12.293 6.111 65 1HZ LYS 12 1HZ LYS 12 7.001 -10.366 4.685 66 2HZ LYS 12 2HZ LYS 12 7.405 -10.081 6.310 67 3HZ LYS 12 3HZ LYS 12 5.996 -9.398 5.650 68 H SER 13 H SER 13 3.952 -7.752 4.122 69 HA SER 13 HA SER 13 1.866 -6.041 5.287 70 1HB SER 13 2HB SER 13 3.308 -8.051 6.807 71 2HB SER 13 1HB SER 13 3.668 -6.444 7.429 72 HG SER 13 HG SER 13 1.540 -7.847 7.903 73 H THR 14 H THR 14 3.400 -5.200 3.283 74 HA THR 14 HA THR 14 6.023 -4.227 3.809 75 HB THR 14 HB THR 14 4.860 -4.369 1.596 76 HG1 THR 14 1HG THR 14 5.701 -1.731 2.215 77 1HG2 THR 14 1HG2 THR 14 3.443 -1.833 2.452 78 2HG2 THR 14 2HG2 THR 14 2.682 -3.423 2.470 79 3HG2 THR 14 3HG2 THR 14 3.227 -2.723 0.946 80 H PHE 15 H PHE 15 6.760 -2.189 4.634 81 HA PHE 15 HA PHE 15 4.903 -0.870 6.515 82 1HB PHE 15 2HB PHE 15 7.815 -1.114 6.045 83 2HB PHE 15 1HB PHE 15 7.299 0.443 6.693 84 HD1 PHE 15 1HD PHE 15 6.828 -3.240 7.206 85 HD2 PHE 15 2HD PHE 15 6.878 0.667 8.993 86 HE1 PHE 15 1HE PHE 15 6.544 -4.261 9.447 87 HE2 PHE 15 2HE PHE 15 6.595 -0.355 11.234 88 HZ PHE 15 HZ PHE 15 6.428 -2.819 11.461 89 H CYS 16 H CYS 16 3.878 1.030 6.092 90 HA CYS 16 HA CYS 16 4.828 2.703 3.783 91 1HB CYS 16 2HB CYS 16 2.005 2.062 4.711 92 2HB CYS 16 1HB CYS 16 2.416 3.090 3.339 93 H CYS 17 H CYS 17 3.018 4.829 4.170 94 HA CYS 17 HA CYS 17 4.219 6.179 6.484 95 1HB CYS 17 2HB CYS 17 2.173 6.977 4.387 96 2HB CYS 17 1HB CYS 17 2.842 8.089 5.580 97 H SER 18 H SER 18 0.804 6.541 5.645 98 HA SER 18 HA SER 18 -0.151 5.127 8.038 99 1HB SER 18 2HB SER 18 0.661 7.858 8.146 100 2HB SER 18 1HB SER 18 -1.097 7.840 8.239 101 HG SER 18 HG SER 18 0.803 6.579 9.907 102 H GLY 19 H GLY 19 -2.108 4.290 7.435 103 1HA GLY 19 2HA GLY 19 -4.316 4.287 6.556 104 2HA GLY 19 1HA GLY 19 -4.034 5.906 5.915 105 H TYR 20 H TYR 20 -1.627 3.491 5.214 106 HA TYR 20 HA TYR 20 -2.695 3.276 2.414 107 1HB TYR 20 2HB TYR 20 0.106 3.575 3.533 108 2HB TYR 20 1HB TYR 20 -0.197 3.086 1.867 109 HD1 TYR 20 1HD TYR 20 0.616 5.821 3.779 110 HD2 TYR 20 2HD TYR 20 -2.217 4.651 0.774 111 HE1 TYR 20 1HE TYR 20 0.322 8.196 3.132 112 HE2 TYR 20 2HE TYR 20 -2.514 7.024 0.126 113 HH TYR 20 HH TYR 20 -0.627 9.292 0.551 114 H ASN 21 H ASN 21 -3.024 1.194 1.723 115 HA ASN 21 HA ASN 21 -1.858 -1.037 3.353 116 1HB ASN 21 2HB ASN 21 -4.463 -0.479 2.022 117 2HB ASN 21 1HB ASN 21 -3.900 -2.148 1.948 118 1HD2 ASN 21 1HD2 ASN 21 -5.198 -3.147 3.547 119 2HD2 ASN 21 2HD2 ASN 21 -5.256 -2.642 5.166 120 H CYS 22 H CYS 22 -1.449 -3.068 2.009 121 HA CYS 22 HA CYS 22 0.079 -2.324 -0.411 122 1HB CYS 22 2HB CYS 22 1.183 -3.763 1.120 123 2HB CYS 22 1HB CYS 22 -0.249 -4.768 1.335 124 H SER 23 H SER 23 -0.579 -2.779 -2.485 125 HA SER 23 HA SER 23 -3.194 -4.189 -2.841 126 1HB SER 23 2HB SER 23 -2.315 -1.734 -3.674 127 2HB SER 23 1HB SER 23 -1.926 -2.719 -5.081 128 HG SER 23 HG SER 23 -4.054 -3.329 -5.221 129 HA PRO 24 HA PRO 24 -0.818 -7.459 -4.701 130 1HB PRO 24 2HB PRO 24 -2.922 -8.959 -5.591 131 2HB PRO 24 1HB PRO 24 -2.426 -8.905 -3.888 132 1HG PRO 24 2HG PRO 24 -4.692 -7.554 -5.242 133 2HG PRO 24 1HG PRO 24 -4.580 -8.205 -3.601 134 1HD PRO 24 2HD PRO 24 -4.386 -5.529 -4.256 135 2HD PRO 24 1HD PRO 24 -3.767 -6.258 -2.759 136 H THR 25 H THR 25 -3.442 -5.805 -6.429 137 HA THR 25 HA THR 25 -2.671 -6.707 -9.082 138 HB THR 25 HB THR 25 -4.350 -4.373 -8.104 139 HG1 THR 25 1HG THR 25 -5.062 -6.993 -8.935 140 1HG2 THR 25 1HG2 THR 25 -4.172 -3.814 -10.315 141 2HG2 THR 25 2HG2 THR 25 -5.408 -5.058 -10.494 142 3HG2 THR 25 3HG2 THR 25 -3.716 -5.448 -10.799 143 H TRP 26 H TRP 26 -2.184 -3.692 -7.242 144 HA TRP 26 HA TRP 26 -0.458 -2.559 -9.358 145 1HB TRP 26 2HB TRP 26 -1.248 -1.566 -6.599 146 2HB TRP 26 1HB TRP 26 -0.476 -0.606 -7.859 147 HD1 TRP 26 HD TRP 26 -3.808 -1.769 -6.674 148 HE1 TRP 26 1HE TRP 26 -5.645 -1.038 -8.326 149 HE3 TRP 26 3HE TRP 26 -0.913 -0.206 -10.574 150 HZ2 TRP 26 2HZ TRP 26 -5.859 0.068 -10.956 151 HZ3 TRP 26 3HZ TRP 26 -1.955 0.680 -12.640 152 HH2 TRP 26 HH TRP 26 -4.422 0.820 -12.836 153 H LYS 27 H LYS 27 -0.074 -4.513 -6.561 154 HA LYS 27 HA LYS 27 1.813 -5.355 -5.470 155 1HB LYS 27 2HB LYS 27 2.792 -4.346 -8.111 156 2HB LYS 27 1HB LYS 27 3.988 -4.853 -6.920 157 1HG LYS 27 2HG LYS 27 1.625 -6.566 -7.733 158 2HG LYS 27 1HG LYS 27 3.215 -6.684 -8.490 159 1HD LYS 27 2HD LYS 27 3.601 -8.226 -6.853 160 2HD LYS 27 1HD LYS 27 3.915 -6.802 -5.862 161 1HE LYS 27 2HE LYS 27 2.161 -7.334 -4.532 162 2HE LYS 27 1HE LYS 27 1.070 -7.276 -5.929 163 1HZ LYS 27 1HZ LYS 27 2.808 -9.572 -5.186 164 2HZ LYS 27 2HZ LYS 27 1.776 -9.508 -6.534 165 3HZ LYS 27 3HZ LYS 27 1.129 -9.499 -4.964 166 H TRP 28 H TRP 28 1.001 -2.315 -5.160 167 HA TRP 28 HA TRP 28 3.389 -1.696 -3.511 168 1HB TRP 28 2HB TRP 28 3.600 0.544 -4.459 169 2HB TRP 28 1HB TRP 28 3.745 -0.658 -5.730 170 HD1 TRP 28 HD TRP 28 0.668 1.164 -4.179 171 HE1 TRP 28 1HE TRP 28 -0.745 2.094 -6.124 172 HE3 TRP 28 3HE TRP 28 3.514 -0.328 -8.132 173 HZ2 TRP 28 2HZ TRP 28 -0.677 2.197 -8.978 174 HZ3 TRP 28 3HZ TRP 28 2.826 0.197 -10.455 175 HH2 TRP 28 HH TRP 28 0.734 1.458 -10.882 176 H CYS 29 H CYS 29 2.938 0.178 -2.003 177 HA CYS 29 HA CYS 29 0.476 -0.246 -0.597 178 1HB CYS 29 2HB CYS 29 2.923 0.760 -0.027 179 2HB CYS 29 1HB CYS 29 2.007 2.260 -0.165 180 H VAL 30 H VAL 30 -1.462 0.768 -0.753 181 HA VAL 30 HA VAL 30 -1.686 3.298 -2.346 182 HB VAL 30 HB VAL 30 -3.782 2.304 -3.302 183 1HG1 VAL 30 1HG1 VAL 30 -2.674 1.097 -4.967 184 2HG1 VAL 30 2HG1 VAL 30 -1.556 0.354 -3.822 185 3HG1 VAL 30 3HG1 VAL 30 -1.362 2.048 -4.269 186 1HG2 VAL 30 1HG2 VAL 30 -4.092 0.686 -1.363 187 2HG2 VAL 30 2HG2 VAL 30 -2.812 -0.296 -2.077 188 3HG2 VAL 30 3HG2 VAL 30 -4.311 -0.021 -2.963 189 H TYR 31 H TYR 31 -4.071 4.188 -1.921 190 HA TYR 31 HA TYR 31 -4.330 4.795 0.857 191 1HB TYR 31 2HB TYR 31 -5.208 5.978 -1.271 192 2HB TYR 31 1HB TYR 31 -6.569 4.860 -1.172 193 HD1 TYR 31 1HD TYR 31 -4.811 7.642 0.508 194 HD2 TYR 31 2HD TYR 31 -8.216 5.023 0.602 195 HE1 TYR 31 1HE TYR 31 -5.869 9.079 2.229 196 HE2 TYR 31 2HE TYR 31 -9.274 6.460 2.322 197 HH TYR 31 HH TYR 31 -7.940 8.357 4.206 198 H ALA 32 H ALA 32 -5.471 3.791 2.503 199 HA ALA 32 HA ALA 32 -6.807 1.191 1.862 200 1HB ALA 32 1HB ALA 32 -5.897 2.311 4.529 201 2HB ALA 32 2HB ALA 32 -4.837 1.396 3.456 202 3HB ALA 32 3HB ALA 32 -6.268 0.630 4.146 203 H ARG 33 H ARG 33 -8.863 0.711 2.908 204 HA ARG 33 HA ARG 33 -10.350 3.060 4.016 205 1HB ARG 33 2HB ARG 33 -10.579 1.941 1.412 206 2HB ARG 33 1HB ARG 33 -12.024 1.455 2.298 207 1HG ARG 33 2HG ARG 33 -11.013 4.307 2.265 208 2HG ARG 33 1HG ARG 33 -12.178 3.695 1.093 209 1HD ARG 33 2HD ARG 33 -13.246 2.844 3.512 210 2HD ARG 33 1HD ARG 33 -12.603 4.453 3.894 211 HE ARG 33 HE ARG 33 -13.940 5.357 2.026 212 1HH1 ARG 33 1HH2 ARG 33 -16.007 4.153 3.781 213 2HH1 ARG 33 2HH2 ARG 33 -16.907 3.159 2.687 214 1HH2 ARG 33 1HH1 ARG 33 -14.448 3.176 0.231 215 2HH2 ARG 33 2HH1 ARG 33 -16.023 2.605 0.670 216 HA PRO 34 HA PRO 34 -11.366 -0.264 6.856 217 1HB PRO 34 2HB PRO 34 -12.907 1.255 8.539 218 2HB PRO 34 1HB PRO 34 -11.131 1.272 8.571 219 1HG PRO 34 2HG PRO 34 -13.019 3.206 7.313 220 2HG PRO 34 1HG PRO 34 -11.521 3.512 8.208 221 1HD PRO 34 2HD PRO 34 -11.658 3.595 5.501 222 2HD PRO 34 1HD PRO 34 -10.189 3.111 6.380 Start of MODEL 19 1 1H GLY 1 1HT GLY 1 11.380 4.488 5.596 2 2H GLY 1 2HT GLY 1 11.843 4.096 7.183 3 3H GLY 1 3HT GLY 1 10.858 5.448 6.893 4 1HA GLY 1 2HA GLY 1 9.981 2.729 6.140 5 2HA GLY 1 1HA GLY 1 9.736 3.351 7.771 6 H CYS 2 H CYS 2 9.306 4.468 4.389 7 HA CYS 2 HA CYS 2 6.504 5.203 4.983 8 1HB CYS 2 2HB CYS 2 8.430 7.017 5.556 9 2HB CYS 2 1HB CYS 2 8.173 7.394 3.853 10 H GLY 3 H GLY 3 5.439 4.449 3.195 11 1HA GLY 3 2HA GLY 3 6.854 4.283 0.600 12 2HA GLY 3 1HA GLY 3 5.318 3.508 0.988 13 H GLY 4 H GLY 4 3.389 4.674 0.691 14 1HA GLY 4 2HA GLY 4 2.630 7.202 0.540 15 2HA GLY 4 1HA GLY 4 3.684 7.189 -0.873 16 H LEU 5 H LEU 5 2.345 7.200 -2.625 17 HA LEU 5 HA LEU 5 -0.073 5.438 -2.607 18 1HB LEU 5 2HB LEU 5 0.463 8.107 -3.375 19 2HB LEU 5 1HB LEU 5 0.195 7.222 -4.877 20 HG LEU 5 HG LEU 5 -1.927 8.113 -3.988 21 1HD1 LEU 5 1HD1 LEU 5 -1.892 5.945 -5.224 22 2HD1 LEU 5 2HD1 LEU 5 -3.206 6.032 -4.051 23 3HD1 LEU 5 3HD1 LEU 5 -1.755 5.099 -3.684 24 1HD2 LEU 5 1HD2 LEU 5 -2.750 7.591 -1.843 25 2HD2 LEU 5 2HD2 LEU 5 -1.036 7.880 -1.551 26 3HD2 LEU 5 3HD2 LEU 5 -1.647 6.229 -1.649 27 H MET 6 H MET 6 3.118 5.442 -3.759 28 HA MET 6 HA MET 6 2.455 3.309 -5.729 29 1HB MET 6 2HB MET 6 2.854 5.894 -6.517 30 2HB MET 6 1HB MET 6 4.507 5.280 -6.573 31 1HG MET 6 2HG MET 6 4.056 3.831 -8.295 32 2HG MET 6 1HG MET 6 2.406 3.532 -7.749 33 1HE MET 6 1HE MET 6 0.171 5.129 -9.151 34 2HE MET 6 2HE MET 6 0.581 6.657 -8.378 35 3HE MET 6 3HE MET 6 0.807 5.147 -7.501 36 H ALA 7 H ALA 7 3.663 3.222 -3.059 37 HA ALA 7 HA ALA 7 6.556 3.008 -3.270 38 1HB ALA 7 1HB ALA 7 6.385 2.599 -1.005 39 2HB ALA 7 2HB ALA 7 4.983 1.545 -1.196 40 3HB ALA 7 3HB ALA 7 4.787 3.297 -1.267 41 H GLY 8 H GLY 8 7.168 0.582 -2.114 42 1HA GLY 8 2HA GLY 8 6.178 -1.424 -4.105 43 2HA GLY 8 1HA GLY 8 7.874 -1.336 -3.628 44 H CYS 9 H CYS 9 4.710 -2.428 -2.715 45 HA CYS 9 HA CYS 9 5.284 -3.071 0.043 46 1HB CYS 9 2HB CYS 9 3.245 -4.090 -1.959 47 2HB CYS 9 1HB CYS 9 3.180 -4.411 -0.226 48 H ASP 10 H ASP 10 4.479 -5.515 -2.415 49 HA ASP 10 HA ASP 10 5.324 -7.692 -2.747 50 1HB ASP 10 2HB ASP 10 7.117 -6.062 -3.564 51 2HB ASP 10 1HB ASP 10 7.949 -6.358 -2.037 52 H GLY 11 H GLY 11 4.194 -7.744 -0.321 53 1HA GLY 11 2HA GLY 11 5.156 -9.793 1.145 54 2HA GLY 11 1HA GLY 11 6.173 -8.479 1.740 55 H LYS 12 H LYS 12 3.829 -10.125 2.925 56 HA LYS 12 HA LYS 12 1.703 -8.202 3.428 57 1HB LYS 12 2HB LYS 12 0.921 -9.941 4.965 58 2HB LYS 12 1HB LYS 12 1.484 -10.688 3.472 59 1HG LYS 12 2HG LYS 12 3.706 -10.433 5.281 60 2HG LYS 12 1HG LYS 12 2.370 -11.220 6.121 61 1HD LYS 12 2HD LYS 12 2.267 -12.987 4.563 62 2HD LYS 12 1HD LYS 12 3.165 -12.083 3.344 63 1HE LYS 12 2HE LYS 12 4.427 -12.854 5.989 64 2HE LYS 12 1HE LYS 12 4.480 -13.922 4.573 65 1HZ LYS 12 1HZ LYS 12 5.423 -11.103 4.698 66 2HZ LYS 12 2HZ LYS 12 5.345 -12.028 3.275 67 3HZ LYS 12 3HZ LYS 12 6.393 -12.485 4.533 68 H SER 13 H SER 13 4.886 -8.438 4.624 69 HA SER 13 HA SER 13 4.204 -7.200 7.250 70 1HB SER 13 2HB SER 13 6.325 -8.883 6.115 71 2HB SER 13 1HB SER 13 6.951 -7.561 7.095 72 HG SER 13 HG SER 13 6.030 -8.398 8.828 73 H THR 14 H THR 14 4.765 -6.127 4.153 74 HA THR 14 HA THR 14 6.751 -4.076 4.503 75 HB THR 14 HB THR 14 5.821 -5.088 2.359 76 HG1 THR 14 1HG THR 14 6.844 -3.392 1.701 77 1HG2 THR 14 1HG2 THR 14 3.384 -4.513 3.335 78 2HG2 THR 14 2HG2 THR 14 3.704 -4.614 1.603 79 3HG2 THR 14 3HG2 THR 14 3.655 -3.042 2.401 80 H PHE 15 H PHE 15 6.475 -1.853 5.015 81 HA PHE 15 HA PHE 15 3.790 -1.107 6.133 82 1HB PHE 15 2HB PHE 15 6.149 -1.507 7.498 83 2HB PHE 15 1HB PHE 15 6.187 0.233 7.212 84 HD1 PHE 15 1HD PHE 15 4.106 -2.530 8.591 85 HD2 PHE 15 2HD PHE 15 4.750 1.713 8.400 86 HE1 PHE 15 1HE PHE 15 2.437 -2.196 10.395 87 HE2 PHE 15 2HE PHE 15 3.081 2.047 10.204 88 HZ PHE 15 HZ PHE 15 1.925 0.092 11.201 89 H CYS 16 H CYS 16 2.914 0.658 5.172 90 HA CYS 16 HA CYS 16 4.499 2.239 3.247 91 1HB CYS 16 2HB CYS 16 1.597 2.487 4.100 92 2HB CYS 16 1HB CYS 16 2.314 3.069 2.598 93 H CYS 17 H CYS 17 3.005 4.710 3.614 94 HA CYS 17 HA CYS 17 4.625 5.927 5.723 95 1HB CYS 17 2HB CYS 17 2.724 6.766 3.567 96 2HB CYS 17 1HB CYS 17 3.017 7.906 4.880 97 H SER 18 H SER 18 1.295 6.962 5.359 98 HA SER 18 HA SER 18 0.554 5.795 8.006 99 1HB SER 18 2HB SER 18 1.030 8.631 7.252 100 2HB SER 18 1HB SER 18 -0.404 8.330 8.228 101 HG SER 18 HG SER 18 2.307 7.930 8.818 102 H GLY 19 H GLY 19 -1.436 4.864 7.750 103 1HA GLY 19 2HA GLY 19 -3.657 4.549 7.042 104 2HA GLY 19 1HA GLY 19 -3.651 6.223 6.487 105 H TYR 20 H TYR 20 -1.373 3.718 5.430 106 HA TYR 20 HA TYR 20 -2.651 3.788 2.712 107 1HB TYR 20 2HB TYR 20 0.205 4.171 3.620 108 2HB TYR 20 1HB TYR 20 -0.141 3.601 1.989 109 HD1 TYR 20 1HD TYR 20 -2.486 5.057 1.147 110 HD2 TYR 20 2HD TYR 20 0.814 6.418 3.533 111 HE1 TYR 20 1HE TYR 20 -2.924 7.383 0.422 112 HE2 TYR 20 2HE TYR 20 0.375 8.748 2.809 113 HH TYR 20 HH TYR 20 -2.463 9.726 1.376 114 H ASN 21 H ASN 21 -3.235 1.718 2.166 115 HA ASN 21 HA ASN 21 -1.851 -0.593 3.448 116 1HB ASN 21 2HB ASN 21 -4.486 0.024 3.042 117 2HB ASN 21 1HB ASN 21 -4.164 -0.965 1.619 118 1HD2 ASN 21 1HD2 ASN 21 -5.800 -1.634 4.073 119 2HD2 ASN 21 2HD2 ASN 21 -5.116 -3.061 4.687 120 H CYS 22 H CYS 22 -2.083 -2.562 1.574 121 HA CYS 22 HA CYS 22 -0.534 -1.498 -0.772 122 1HB CYS 22 2HB CYS 22 -0.316 -3.996 0.911 123 2HB CYS 22 1HB CYS 22 0.422 -3.902 -0.688 124 H SER 23 H SER 23 -1.232 -2.128 -2.816 125 HA SER 23 HA SER 23 -3.843 -3.479 -3.011 126 1HB SER 23 2HB SER 23 -2.870 -1.432 -4.334 127 2HB SER 23 1HB SER 23 -2.081 -2.665 -5.314 128 HG SER 23 HG SER 23 -3.979 -3.315 -6.050 129 HA PRO 24 HA PRO 24 -2.068 -7.460 -3.741 130 1HB PRO 24 2HB PRO 24 -4.251 -8.660 -4.884 131 2HB PRO 24 1HB PRO 24 -4.117 -8.343 -3.143 132 1HG PRO 24 2HG PRO 24 -5.587 -6.816 -5.236 133 2HG PRO 24 1HG PRO 24 -6.061 -7.197 -3.573 134 1HD PRO 24 2HD PRO 24 -5.098 -4.769 -4.321 135 2HD PRO 24 1HD PRO 24 -4.880 -5.443 -2.691 136 H THR 25 H THR 25 -3.531 -5.554 -6.324 137 HA THR 25 HA THR 25 -2.179 -7.232 -8.392 138 HB THR 25 HB THR 25 -4.161 -4.955 -8.696 139 HG1 THR 25 1HG THR 25 -4.613 -7.757 -8.604 140 1HG2 THR 25 1HG2 THR 25 -3.388 -7.223 -10.551 141 2HG2 THR 25 2HG2 THR 25 -2.834 -5.555 -10.708 142 3HG2 THR 25 3HG2 THR 25 -4.545 -5.939 -10.903 143 H TRP 26 H TRP 26 -2.321 -3.896 -7.161 144 HA TRP 26 HA TRP 26 -0.438 -2.875 -9.158 145 1HB TRP 26 2HB TRP 26 -1.368 -1.668 -6.534 146 2HB TRP 26 1HB TRP 26 -0.677 -0.811 -7.903 147 HD1 TRP 26 HD TRP 26 -2.474 -2.728 -9.992 148 HE1 TRP 26 1HE TRP 26 -4.919 -2.011 -10.359 149 HE3 TRP 26 3HE TRP 26 -3.164 0.222 -5.881 150 HZ2 TRP 26 2HZ TRP 26 -6.906 -0.400 -9.089 151 HZ3 TRP 26 3HZ TRP 26 -5.342 1.337 -5.485 152 HH2 TRP 26 HH TRP 26 -7.213 1.029 -7.084 153 H LYS 27 H LYS 27 -0.159 -4.373 -6.022 154 HA LYS 27 HA LYS 27 1.720 -4.987 -4.760 155 1HB LYS 27 2HB LYS 27 2.642 -4.555 -7.532 156 2HB LYS 27 1HB LYS 27 3.919 -4.482 -6.319 157 1HG LYS 27 2HG LYS 27 1.948 -6.705 -6.075 158 2HG LYS 27 1HG LYS 27 3.105 -6.801 -7.403 159 1HD LYS 27 2HD LYS 27 4.621 -5.991 -5.179 160 2HD LYS 27 1HD LYS 27 3.538 -7.242 -4.565 161 1HE LYS 27 2HE LYS 27 5.141 -8.667 -5.391 162 2HE LYS 27 1HE LYS 27 4.340 -8.359 -6.945 163 1HZ LYS 27 1HZ LYS 27 6.751 -7.879 -7.002 164 2HZ LYS 27 2HZ LYS 27 6.525 -6.686 -5.814 165 3HZ LYS 27 3HZ LYS 27 5.804 -6.515 -7.344 166 H TRP 28 H TRP 28 0.909 -1.863 -5.225 167 HA TRP 28 HA TRP 28 3.303 -0.912 -3.690 168 1HB TRP 28 2HB TRP 28 3.110 1.234 -4.849 169 2HB TRP 28 1HB TRP 28 3.293 -0.068 -6.013 170 HD1 TRP 28 HD TRP 28 0.185 1.536 -4.304 171 HE1 TRP 28 1HE TRP 28 -1.523 2.083 -6.154 172 HE3 TRP 28 3HE TRP 28 2.778 -0.056 -8.399 173 HZ2 TRP 28 2HZ TRP 28 -1.760 1.877 -8.993 174 HZ3 TRP 28 3HZ TRP 28 1.791 0.131 -10.664 175 HH2 TRP 28 HH TRP 28 -0.473 1.096 -10.967 176 H CYS 29 H CYS 29 2.824 0.906 -2.206 177 HA CYS 29 HA CYS 29 0.521 0.399 -0.584 178 1HB CYS 29 2HB CYS 29 2.551 2.635 -0.727 179 2HB CYS 29 1HB CYS 29 1.315 2.557 0.529 180 H VAL 30 H VAL 30 -1.451 1.384 -0.478 181 HA VAL 30 HA VAL 30 -2.024 3.783 -2.167 182 HB VAL 30 HB VAL 30 -4.133 2.598 -2.875 183 1HG1 VAL 30 1HG1 VAL 30 -1.681 2.472 -3.994 184 2HG1 VAL 30 2HG1 VAL 30 -3.094 1.686 -4.694 185 3HG1 VAL 30 3HG1 VAL 30 -1.962 0.754 -3.715 186 1HG2 VAL 30 1HG2 VAL 30 -2.770 0.171 -1.657 187 2HG2 VAL 30 2HG2 VAL 30 -4.305 0.182 -2.525 188 3HG2 VAL 30 3HG2 VAL 30 -4.171 0.989 -0.963 189 H TYR 31 H TYR 31 -4.508 4.405 -1.549 190 HA TYR 31 HA TYR 31 -4.536 5.136 1.212 191 1HB TYR 31 2HB TYR 31 -6.511 5.013 -1.051 192 2HB TYR 31 1HB TYR 31 -7.108 5.366 0.570 193 HD1 TYR 31 1HD TYR 31 -5.577 6.730 -2.357 194 HD2 TYR 31 2HD TYR 31 -5.875 7.235 1.899 195 HE1 TYR 31 1HE TYR 31 -4.802 9.075 -2.582 196 HE2 TYR 31 2HE TYR 31 -5.099 9.580 1.674 197 HH TYR 31 HH TYR 31 -3.517 10.774 -0.714 198 H ALA 32 H ALA 32 -5.251 4.048 3.026 199 HA ALA 32 HA ALA 32 -6.030 1.212 2.722 200 1HB ALA 32 1HB ALA 32 -5.525 1.114 5.072 201 2HB ALA 32 2HB ALA 32 -5.669 2.863 5.239 202 3HB ALA 32 3HB ALA 32 -4.312 2.171 4.349 203 H ARG 33 H ARG 33 -8.193 0.942 2.252 204 HA ARG 33 HA ARG 33 -10.180 1.945 4.200 205 1HB ARG 33 2HB ARG 33 -9.721 3.691 2.372 206 2HB ARG 33 1HB ARG 33 -10.467 2.558 1.247 207 1HG ARG 33 2HG ARG 33 -12.238 3.986 1.927 208 2HG ARG 33 1HG ARG 33 -12.460 2.515 2.875 209 1HD ARG 33 2HD ARG 33 -11.776 3.526 4.860 210 2HD ARG 33 1HD ARG 33 -10.768 4.723 4.020 211 HE ARG 33 HE ARG 33 -12.728 6.024 3.581 212 1HH1 ARG 33 1HH1 ARG 33 -13.384 4.740 6.347 213 2HH1 ARG 33 2HH1 ARG 33 -15.047 4.321 6.097 214 1HH2 ARG 33 1HH2 ARG 33 -14.901 4.714 2.648 215 2HH2 ARG 33 2HH2 ARG 33 -15.907 4.306 3.997 216 HA PRO 34 HA PRO 34 -10.987 -2.211 2.189 217 1HB PRO 34 2HB PRO 34 -10.951 -3.692 4.492 218 2HB PRO 34 1HB PRO 34 -9.497 -3.371 3.526 219 1HG PRO 34 2HG PRO 34 -10.426 -2.074 6.035 220 2HG PRO 34 1HG PRO 34 -8.786 -2.498 5.521 221 1HD PRO 34 2HD PRO 34 -9.806 0.036 5.402 222 2HD PRO 34 1HD PRO 34 -8.520 -0.565 4.332 Start of MODEL 20 1 1H GLY 1 1HT GLY 1 11.795 5.415 1.638 2 2H GLY 1 2HT GLY 1 12.507 6.141 0.277 3 3H GLY 1 3HT GLY 1 11.657 4.679 0.115 4 1HA GLY 1 2HA GLY 1 10.597 7.394 0.591 5 2HA GLY 1 1HA GLY 1 10.157 6.248 -0.675 6 H CYS 2 H CYS 2 8.860 7.617 1.919 7 HA CYS 2 HA CYS 2 7.825 5.347 3.428 8 1HB CYS 2 2HB CYS 2 8.162 7.832 4.086 9 2HB CYS 2 1HB CYS 2 6.641 8.123 3.243 10 H GLY 3 H GLY 3 5.434 4.863 3.515 11 1HA GLY 3 2HA GLY 3 4.357 4.126 1.010 12 2HA GLY 3 1HA GLY 3 3.407 4.277 2.486 13 H GLY 4 H GLY 4 3.697 5.448 -0.602 14 1HA GLY 4 2HA GLY 4 2.095 7.868 0.091 15 2HA GLY 4 1HA GLY 4 3.466 8.029 -1.008 16 H LEU 5 H LEU 5 0.973 5.483 -0.742 17 HA LEU 5 HA LEU 5 -0.622 4.713 -2.287 18 1HB LEU 5 2HB LEU 5 -0.460 7.498 -2.583 19 2HB LEU 5 1HB LEU 5 -0.398 6.862 -4.227 20 HG LEU 5 HG LEU 5 -2.417 5.786 -2.276 21 1HD1 LEU 5 1HD1 LEU 5 -2.547 8.372 -3.835 22 2HD1 LEU 5 2HD1 LEU 5 -2.873 8.115 -2.120 23 3HD1 LEU 5 3HD1 LEU 5 -4.001 7.508 -3.333 24 1HD2 LEU 5 1HD2 LEU 5 -3.543 5.966 -4.781 25 2HD2 LEU 5 2HD2 LEU 5 -2.722 4.537 -4.153 26 3HD2 LEU 5 3HD2 LEU 5 -1.846 5.683 -5.167 27 H MET 6 H MET 6 2.635 5.177 -3.071 28 HA MET 6 HA MET 6 2.403 3.282 -5.333 29 1HB MET 6 2HB MET 6 2.767 6.130 -5.591 30 2HB MET 6 1HB MET 6 4.218 5.307 -6.165 31 1HG MET 6 2HG MET 6 2.912 3.938 -7.682 32 2HG MET 6 1HG MET 6 1.405 4.576 -7.024 33 1HE MET 6 1HE MET 6 1.523 4.758 -10.078 34 2HE MET 6 2HE MET 6 3.232 4.400 -9.849 35 3HE MET 6 3HE MET 6 2.755 5.819 -10.777 36 H ALA 7 H ALA 7 3.572 3.376 -2.528 37 HA ALA 7 HA ALA 7 6.494 3.282 -2.978 38 1HB ALA 7 1HB ALA 7 5.646 4.312 -0.962 39 2HB ALA 7 2HB ALA 7 6.421 2.800 -0.490 40 3HB ALA 7 3HB ALA 7 4.662 2.896 -0.592 41 H GLY 8 H GLY 8 7.711 1.374 -2.966 42 1HA GLY 8 2HA GLY 8 6.557 -1.064 -3.826 43 2HA GLY 8 1HA GLY 8 8.171 -0.921 -3.132 44 H CYS 9 H CYS 9 5.263 -2.431 -2.694 45 HA CYS 9 HA CYS 9 5.695 -2.666 0.269 46 1HB CYS 9 2HB CYS 9 3.310 -2.745 0.509 47 2HB CYS 9 1HB CYS 9 3.640 -1.416 -0.600 48 H ASP 10 H ASP 10 6.770 -4.360 -2.019 49 HA ASP 10 HA ASP 10 5.431 -6.807 -2.376 50 1HB ASP 10 2HB ASP 10 7.447 -6.256 -3.571 51 2HB ASP 10 1HB ASP 10 8.364 -6.091 -2.073 52 H GLY 11 H GLY 11 4.534 -8.011 -0.744 53 1HA GLY 11 2HA GLY 11 5.561 -9.697 1.008 54 2HA GLY 11 1HA GLY 11 5.936 -8.201 1.870 55 H LYS 12 H LYS 12 3.923 -10.547 2.266 56 HA LYS 12 HA LYS 12 1.276 -9.382 2.116 57 1HB LYS 12 2HB LYS 12 0.660 -11.373 3.385 58 2HB LYS 12 1HB LYS 12 1.860 -11.817 2.172 59 1HG LYS 12 2HG LYS 12 3.361 -11.056 4.419 60 2HG LYS 12 1HG LYS 12 2.024 -12.003 5.070 61 1HD LYS 12 2HD LYS 12 2.819 -13.932 4.191 62 2HD LYS 12 1HD LYS 12 3.189 -13.173 2.643 63 1HE LYS 12 2HE LYS 12 4.937 -12.370 4.916 64 2HE LYS 12 1HE LYS 12 5.125 -14.035 4.339 65 1HZ LYS 12 1HZ LYS 12 5.763 -11.556 3.007 66 2HZ LYS 12 2HZ LYS 12 4.866 -12.625 2.038 67 3HZ LYS 12 3HZ LYS 12 6.343 -13.120 2.712 68 H SER 13 H SER 13 3.885 -8.701 4.219 69 HA SER 13 HA SER 13 2.015 -7.372 6.135 70 1HB SER 13 2HB SER 13 2.941 -9.693 6.837 71 2HB SER 13 1HB SER 13 4.488 -8.873 7.016 72 HG SER 13 HG SER 13 3.749 -7.853 8.723 73 H THR 14 H THR 14 3.351 -6.036 4.070 74 HA THR 14 HA THR 14 5.927 -4.970 4.940 75 HB THR 14 HB THR 14 5.060 -5.232 2.569 76 HG1 THR 14 1HG THR 14 6.491 -3.779 2.145 77 1HG2 THR 14 1HG2 THR 14 3.201 -4.162 1.865 78 2HG2 THR 14 2HG2 THR 14 3.704 -2.642 2.603 79 3HG2 THR 14 3HG2 THR 14 2.861 -3.854 3.567 80 H PHE 15 H PHE 15 5.929 -2.322 4.818 81 HA PHE 15 HA PHE 15 3.768 -1.324 6.643 82 1HB PHE 15 2HB PHE 15 6.700 -1.561 6.991 83 2HB PHE 15 1HB PHE 15 6.013 -0.017 7.493 84 HD1 PHE 15 1HD PHE 15 3.521 -0.455 8.674 85 HD2 PHE 15 2HD PHE 15 6.921 -3.079 8.737 86 HE1 PHE 15 1HE PHE 15 2.668 -1.510 10.749 87 HE2 PHE 15 2HE PHE 15 6.067 -4.134 10.814 88 HZ PHE 15 HZ PHE 15 3.940 -3.349 11.819 89 H CYS 16 H CYS 16 3.241 0.882 6.373 90 HA CYS 16 HA CYS 16 4.601 2.334 4.120 91 1HB CYS 16 2HB CYS 16 1.645 2.049 4.768 92 2HB CYS 16 1HB CYS 16 2.291 3.083 3.493 93 H CYS 17 H CYS 17 3.089 4.719 4.353 94 HA CYS 17 HA CYS 17 4.326 5.917 6.708 95 1HB CYS 17 2HB CYS 17 3.218 6.710 4.194 96 2HB CYS 17 1HB CYS 17 2.417 7.641 5.458 97 H SER 18 H SER 18 0.928 6.375 5.736 98 HA SER 18 HA SER 18 -0.072 5.332 8.305 99 1HB SER 18 2HB SER 18 -1.003 7.587 8.907 100 2HB SER 18 1HB SER 18 0.757 7.541 8.913 101 HG SER 18 HG SER 18 -0.958 8.973 7.354 102 H GLY 19 H GLY 19 -1.987 4.358 7.793 103 1HA GLY 19 2HA GLY 19 -4.121 4.038 6.858 104 2HA GLY 19 1HA GLY 19 -4.055 5.699 6.273 105 H TYR 20 H TYR 20 -1.588 3.291 5.477 106 HA TYR 20 HA TYR 20 -2.629 3.272 2.658 107 1HB TYR 20 2HB TYR 20 0.215 3.394 3.719 108 2HB TYR 20 1HB TYR 20 -0.204 3.234 2.016 109 HD1 TYR 20 1HD TYR 20 1.193 5.529 3.862 110 HD2 TYR 20 2HD TYR 20 -2.564 5.061 1.840 111 HE1 TYR 20 1HE TYR 20 0.977 7.992 3.693 112 HE2 TYR 20 2HE TYR 20 -2.780 7.525 1.671 113 HH TYR 20 HH TYR 20 -0.633 9.566 1.748 114 H ASN 21 H ASN 21 -2.900 1.226 1.814 115 HA ASN 21 HA ASN 21 -1.769 -1.088 3.357 116 1HB ASN 21 2HB ASN 21 -4.347 -0.511 2.923 117 2HB ASN 21 1HB ASN 21 -4.022 -1.342 1.402 118 1HD2 ASN 21 1HD2 ASN 21 -4.598 -1.809 4.796 119 2HD2 ASN 21 2HD2 ASN 21 -4.367 -3.490 4.816 120 H CYS 22 H CYS 22 -1.062 -2.952 2.029 121 HA CYS 22 HA CYS 22 0.300 -2.057 -0.439 122 1HB CYS 22 2HB CYS 22 1.562 -3.298 1.191 123 2HB CYS 22 1HB CYS 22 0.335 -4.561 1.265 124 H SER 23 H SER 23 -0.249 -2.714 -2.495 125 HA SER 23 HA SER 23 -2.699 -4.398 -2.804 126 1HB SER 23 2HB SER 23 -1.351 -2.188 -4.303 127 2HB SER 23 1HB SER 23 -2.273 -3.359 -5.243 128 HG SER 23 HG SER 23 -3.977 -2.341 -4.587 129 HA PRO 24 HA PRO 24 0.080 -7.592 -4.203 130 1HB PRO 24 2HB PRO 24 -1.841 -9.381 -4.976 131 2HB PRO 24 1HB PRO 24 -1.397 -9.109 -3.280 132 1HG PRO 24 2HG PRO 24 -3.727 -8.079 -4.815 133 2HG PRO 24 1HG PRO 24 -3.634 -8.626 -3.134 134 1HD PRO 24 2HD PRO 24 -3.673 -5.997 -3.876 135 2HD PRO 24 1HD PRO 24 -2.924 -6.590 -2.377 136 H THR 25 H THR 25 -2.509 -6.207 -6.159 137 HA THR 25 HA THR 25 -1.539 -7.383 -8.670 138 HB THR 25 HB THR 25 -3.575 -5.209 -8.078 139 HG1 THR 25 1HG THR 25 -4.563 -6.872 -7.253 140 1HG2 THR 25 1HG2 THR 25 -4.487 -5.822 -10.293 141 2HG2 THR 25 2HG2 THR 25 -3.156 -6.956 -10.521 142 3HG2 THR 25 3HG2 THR 25 -2.832 -5.225 -10.423 143 H TRP 26 H TRP 26 -1.348 -4.252 -7.007 144 HA TRP 26 HA TRP 26 0.151 -3.054 -9.276 145 1HB TRP 26 2HB TRP 26 -0.704 -1.914 -6.596 146 2HB TRP 26 1HB TRP 26 -0.132 -0.998 -7.985 147 HD1 TRP 26 HD TRP 26 -1.953 -3.125 -9.933 148 HE1 TRP 26 1HE TRP 26 -4.439 -2.514 -10.194 149 HE3 TRP 26 3HE TRP 26 -2.516 0.009 -5.945 150 HZ2 TRP 26 2HZ TRP 26 -6.410 -0.901 -8.890 151 HZ3 TRP 26 3HZ TRP 26 -4.705 1.071 -5.477 152 HH2 TRP 26 HH TRP 26 -6.652 0.620 -6.945 153 H LYS 27 H LYS 27 0.819 -4.700 -6.332 154 HA LYS 27 HA LYS 27 2.832 -5.207 -5.248 155 1HB LYS 27 2HB LYS 27 3.488 -4.414 -7.978 156 2HB LYS 27 1HB LYS 27 4.810 -4.073 -6.862 157 1HG LYS 27 2HG LYS 27 3.370 -6.736 -6.966 158 2HG LYS 27 1HG LYS 27 4.844 -6.398 -7.873 159 1HD LYS 27 2HD LYS 27 6.163 -6.490 -6.016 160 2HD LYS 27 1HD LYS 27 4.965 -5.676 -5.008 161 1HE LYS 27 2HE LYS 27 4.855 -7.808 -4.085 162 2HE LYS 27 1HE LYS 27 3.656 -8.001 -5.379 163 1HZ LYS 27 1HZ LYS 27 5.433 -8.760 -6.849 164 2HZ LYS 27 2HZ LYS 27 5.310 -9.763 -5.484 165 3HZ LYS 27 3HZ LYS 27 6.561 -8.617 -5.590 166 H TRP 28 H TRP 28 1.553 -2.221 -5.244 167 HA TRP 28 HA TRP 28 3.776 -1.176 -3.547 168 1HB TRP 28 2HB TRP 28 3.525 1.034 -4.546 169 2HB TRP 28 1HB TRP 28 3.853 -0.144 -5.806 170 HD1 TRP 28 HD TRP 28 0.522 1.013 -4.147 171 HE1 TRP 28 1HE TRP 28 -1.120 1.625 -6.031 172 HE3 TRP 28 3HE TRP 28 3.491 0.173 -8.214 173 HZ2 TRP 28 2HZ TRP 28 -1.173 1.748 -8.884 174 HZ3 TRP 28 3HZ TRP 28 2.620 0.548 -10.503 175 HH2 TRP 28 HH TRP 28 0.293 1.334 -10.843 176 H CYS 29 H CYS 29 2.999 0.619 -2.079 177 HA CYS 29 HA CYS 29 0.577 -0.218 -0.702 178 1HB CYS 29 2HB CYS 29 2.870 0.848 0.092 179 2HB CYS 29 1HB CYS 29 2.014 2.366 -0.185 180 H VAL 30 H VAL 30 -1.412 0.859 -0.618 181 HA VAL 30 HA VAL 30 -1.785 3.192 -2.474 182 HB VAL 30 HB VAL 30 -4.005 2.184 -2.962 183 1HG1 VAL 30 1HG1 VAL 30 -3.114 0.083 -4.097 184 2HG1 VAL 30 2HG1 VAL 30 -1.561 0.443 -3.343 185 3HG1 VAL 30 3HG1 VAL 30 -2.272 1.582 -4.487 186 1HG2 VAL 30 1HG2 VAL 30 -3.149 -0.337 -1.572 187 2HG2 VAL 30 2HG2 VAL 30 -4.774 0.217 -1.976 188 3HG2 VAL 30 3HG2 VAL 30 -3.907 0.941 -0.623 189 H TYR 31 H TYR 31 -4.339 3.905 -1.821 190 HA TYR 31 HA TYR 31 -4.033 4.869 0.970 191 1HB TYR 31 2HB TYR 31 -4.514 6.406 -0.924 192 2HB TYR 31 1HB TYR 31 -6.020 5.542 -1.228 193 HD1 TYR 31 1HD TYR 31 -4.380 6.592 1.979 194 HD2 TYR 31 2HD TYR 31 -7.782 6.960 -0.616 195 HE1 TYR 31 1HE TYR 31 -5.523 7.984 3.678 196 HE2 TYR 31 2HE TYR 31 -8.928 8.352 1.085 197 HH TYR 31 HH TYR 31 -8.332 8.441 4.087 198 H ALA 32 H ALA 32 -5.301 4.121 2.637 199 HA ALA 32 HA ALA 32 -7.296 1.990 2.033 200 1HB ALA 32 1HB ALA 32 -5.251 2.081 3.776 201 2HB ALA 32 2HB ALA 32 -6.721 1.169 4.115 202 3HB ALA 32 3HB ALA 32 -6.505 2.779 4.803 203 H ARG 33 H ARG 33 -9.168 2.049 3.820 204 HA ARG 33 HA ARG 33 -10.108 4.720 4.567 205 1HB ARG 33 2HB ARG 33 -10.748 3.527 2.002 206 2HB ARG 33 1HB ARG 33 -12.217 3.776 2.945 207 1HG ARG 33 2HG ARG 33 -10.570 6.087 3.274 208 2HG ARG 33 1HG ARG 33 -10.661 5.729 1.550 209 1HD ARG 33 2HD ARG 33 -12.647 6.871 1.667 210 2HD ARG 33 1HD ARG 33 -13.275 5.347 2.323 211 HE ARG 33 HE ARG 33 -12.197 7.542 4.059 212 1HH1 ARG 33 1HH2 ARG 33 -15.199 7.153 3.529 213 2HH1 ARG 33 2HH2 ARG 33 -15.671 6.284 4.951 214 1HH2 ARG 33 1HH1 ARG 33 -12.416 5.451 5.842 215 2HH2 ARG 33 2HH1 ARG 33 -14.092 5.318 6.264 216 HA PRO 34 HA PRO 34 -13.368 1.556 6.017 217 1HB PRO 34 2HB PRO 34 -13.272 -1.014 5.075 218 2HB PRO 34 1HB PRO 34 -14.181 0.281 4.270 219 1HG PRO 34 2HG PRO 34 -11.517 -0.859 3.600 220 2HG PRO 34 1HG PRO 34 -12.821 -0.327 2.526 221 1HD PRO 34 2HD PRO 34 -10.591 1.154 3.034 222 2HD PRO 34 1HD PRO 34 -12.159 1.858 2.589
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