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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | cing | stage | position | program | type |
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614257 |
1ro3 ![]() ![]() |
cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H2 GLU 1 1H GLU 1 6.448 -3.585 -4.539 2 HA GLU 1 HA GLU 1 7.926 -4.312 -2.425 3 HB3 GLU 1 2HB GLU 1 6.188 -5.708 -3.547 4 HG3 GLU 1 2HG GLU 1 7.914 -5.420 -5.804 5 HE2 GLU 1 HE GLU 1 7.698 -8.785 -4.087 6 H CYS 2 H CYS 2 9.895 -2.850 -2.959 7 HA CYS 2 HA CYS 2 11.713 -3.161 -4.841 8 HB3 CYS 2 2HB CYS 2 12.461 -3.116 -1.912 9 H GLU 3 H GLU 3 11.169 -5.399 -2.054 10 HA GLU 3 HA GLU 3 12.607 -7.409 -3.582 11 HB3 GLU 3 2HB GLU 3 14.156 -6.561 -1.845 12 HG3 GLU 3 2HG GLU 3 12.399 -7.715 0.315 13 HE2 GLU 3 HE GLU 3 13.947 -4.547 1.482 14 H SER 4 H SER 4 10.191 -6.496 -1.112 15 HA SER 4 HA SER 4 8.171 -7.915 -1.737 16 HB3 SER 4 2HB SER 4 10.220 -9.877 -0.718 17 HG SER 4 HG SER 4 7.425 -9.879 -0.120 18 H GLY 5 H GLY 5 10.350 -6.768 0.659 19 HA2 GLY 5 1HA GLY 5 8.722 -7.279 2.973 20 HA3 GLY 5 2HA GLY 5 10.150 -6.270 2.866 21 HA PRO 6 HA PRO 6 6.145 -3.803 2.511 22 HB3 PRO 6 2HB PRO 6 4.467 -4.802 3.732 23 HG3 PRO 6 2HG PRO 6 5.160 -6.546 5.073 24 HD3 PRO 6 2HD PRO 6 7.071 -7.180 3.964 25 H CYS 7 H CYS 7 5.707 -1.588 3.243 26 HA CYS 7 HA CYS 7 6.331 0.318 4.179 27 HB3 CYS 7 2HB CYS 7 8.640 -0.076 5.688 28 H CYS 8 H CYS 8 6.970 -0.124 1.623 29 HA CYS 8 HA CYS 8 9.232 1.427 1.197 30 HB3 CYS 8 2HB CYS 8 10.437 -0.625 1.894 31 H ARG 9 H ARG 9 6.526 1.485 0.444 32 HA ARG 9 HA ARG 9 5.279 0.545 -1.421 33 HB3 ARG 9 2HB ARG 9 4.594 2.734 -1.422 34 HG3 ARG 9 2HG ARG 9 7.536 3.290 -0.988 35 HD3 ARG 9 2HD ARG 9 5.399 5.371 -1.663 36 HE ARG 9 HE ARG 9 7.392 5.766 0.160 37 HH11 ARG 9 2HH2 ARG 9 7.042 6.894 -3.180 38 HH12 ARG 9 1HH2 ARG 9 7.959 8.340 -2.919 39 HH22 ARG 9 1HH ARG 9 8.866 8.778 -0.745 40 H ASN 10 H ASN 10 8.048 2.531 -2.715 41 HA ASN 10 HA ASN 10 8.434 0.405 -4.673 42 HB3 ASN 10 2HB ASN 10 7.684 2.070 -6.116 43 HD21 ASN 10 1HD2 ASN 10 9.733 3.754 -3.732 44 HD22 ASN 10 2HD2 ASN 10 8.726 5.147 -3.523 45 H CYS 11 H CYS 11 9.791 0.502 -2.164 46 HA CYS 11 HA CYS 11 11.842 0.268 -1.392 47 HB3 CYS 11 2HB CYS 11 13.163 1.323 -3.862 48 H LYS 12 H LYS 12 10.890 2.172 -0.130 49 HA LYS 12 HA LYS 12 12.740 4.114 0.316 50 HB3 LYS 12 2HB LYS 12 10.865 5.883 -0.891 51 HG3 LYS 12 2HG LYS 12 13.675 5.162 -1.831 52 HD3 LYS 12 2HD LYS 12 11.807 7.115 -2.677 53 HE3 LYS 12 2HE LYS 12 13.377 8.116 -0.435 54 HZ1 LYS 12 1HZ LYS 12 13.939 9.269 -3.104 55 HZ2 LYS 12 2HZ LYS 12 14.081 10.159 -1.747 56 H PHE 13 H PHE 13 9.411 2.962 0.261 57 HA PHE 13 HA PHE 13 7.808 3.003 1.771 58 HB3 PHE 13 2HB PHE 13 10.137 3.995 3.520 59 HD1 PHE 13 HD1 PHE 13 6.719 2.530 3.574 60 HD2 PHE 13 HD2 PHE 13 9.836 4.350 5.806 61 HE1 PHE 13 HE1 PHE 13 5.199 2.690 5.565 62 HE2 PHE 13 HE2 PHE 13 8.317 4.510 7.797 63 HZ PHE 13 HZ PHE 13 6.016 3.678 7.653 64 H LEU 14 H LEU 14 6.140 4.399 2.359 65 HA LEU 14 HA LEU 14 6.723 7.217 1.909 66 HB3 LEU 14 2HB LEU 14 3.992 6.034 2.278 67 HG LEU 14 HG LEU 14 3.287 7.665 0.645 68 HD11 LEU 14 1HD1 LEU 14 4.622 9.698 2.101 69 HD12 LEU 14 2HD1 LEU 14 2.986 9.043 2.354 70 HD13 LEU 14 3HD1 LEU 14 4.373 8.328 3.209 71 HD21 LEU 14 1HD2 LEU 14 4.993 7.905 -0.901 72 HD22 LEU 14 2HD2 LEU 14 5.036 9.459 -0.034 73 HD23 LEU 14 3HD2 LEU 14 6.230 8.195 0.346 74 H LYS 15 H LYS 15 4.174 5.808 4.012 75 HA LYS 15 HA LYS 15 5.439 6.296 6.442 76 HB3 LYS 15 2HB LYS 15 5.381 8.659 5.694 77 HG3 LYS 15 2HG LYS 15 2.411 8.716 6.160 78 HD3 LYS 15 2HD LYS 15 2.650 10.516 4.361 79 HE3 LYS 15 2HE LYS 15 4.374 11.865 6.029 80 HZ1 LYS 15 1HZ LYS 15 1.543 11.420 5.906 81 HZ2 LYS 15 2HZ LYS 15 2.023 11.785 7.419 82 H GLU 16 H GLU 16 4.417 4.145 6.467 83 HA GLU 16 HA GLU 16 2.520 2.849 6.377 84 HB3 GLU 16 2HB GLU 16 1.598 3.109 8.860 85 HG3 GLU 16 2HG GLU 16 4.549 2.527 8.328 86 HE2 GLU 16 HE GLU 16 5.167 0.838 10.551 87 H GLY 17 H GLY 17 0.714 3.164 5.136 88 HA2 GLY 17 1HA GLY 17 -1.683 3.896 5.780 89 HA3 GLY 17 2HA GLY 17 -0.979 5.499 5.709 90 H THR 18 H THR 18 0.906 3.953 3.529 91 HA THR 18 HA THR 18 -0.453 5.071 1.302 92 HB THR 18 HB THR 18 1.605 3.205 0.533 93 HG1 THR 18 HG1 THR 18 3.182 3.859 2.155 94 HG21 THR 18 1HG2 THR 18 1.045 6.030 0.359 95 HG22 THR 18 2HG2 THR 18 2.680 5.842 1.041 96 HG23 THR 18 3HG2 THR 18 2.281 5.107 -0.531 97 H ILE 19 H ILE 19 -2.581 4.063 1.538 98 HA ILE 19 HA ILE 19 -2.958 1.317 1.384 99 HB ILE 19 HB ILE 19 -4.907 2.220 1.935 100 HG13 ILE 19 2HG1 ILE 19 -6.233 1.524 0.297 101 HG21 ILE 19 1HG2 ILE 19 -3.985 4.672 0.442 102 HG22 ILE 19 2HG2 ILE 19 -5.638 4.531 1.087 103 HG23 ILE 19 3HG2 ILE 19 -4.242 4.447 2.189 104 HD11 ILE 19 1HD1 ILE 19 -6.491 4.097 -0.045 105 HD12 ILE 19 2HD1 ILE 19 -5.454 3.865 -1.473 106 HD13 ILE 19 3HD1 ILE 19 -7.020 3.026 -1.367 107 H CYS 20 H CYS 20 -2.982 -0.171 -0.265 108 HA CYS 20 HA CYS 20 -1.486 0.193 -2.475 109 HB3 CYS 20 2HB CYS 20 -3.650 -1.709 -1.735 110 H LYS 21 H LYS 21 -4.939 -0.483 -3.143 111 HA LYS 21 HA LYS 21 -5.104 2.039 -4.623 112 HB3 LYS 21 2HB LYS 21 -6.194 0.829 -6.489 113 HG3 LYS 21 2HG LYS 21 -3.366 0.619 -5.692 114 HD3 LYS 21 2HD LYS 21 -4.344 -1.831 -6.444 115 HE3 LYS 21 2HE LYS 21 -3.409 -0.420 -8.990 116 HZ1 LYS 21 1HZ LYS 21 -4.044 -3.258 -8.401 117 HZ2 LYS 21 2HZ LYS 21 -3.966 -2.674 -9.918 118 H ARG 22 H ARG 22 -6.789 3.201 -3.880 119 HA ARG 22 HA ARG 22 -8.564 2.144 -2.056 120 HB3 ARG 22 2HB ARG 22 -8.732 4.647 -3.805 121 HG3 ARG 22 2HG ARG 22 -10.966 4.425 -3.083 122 HD3 ARG 22 2HD ARG 22 -10.627 2.362 -1.716 123 HE ARG 22 HE ARG 22 -8.763 2.958 -0.261 124 HH11 ARG 22 2HH2 ARG 22 -11.841 4.472 0.631 125 HH12 ARG 22 1HH2 ARG 22 -11.337 4.833 2.248 126 HH22 ARG 22 1HH ARG 22 -9.133 4.213 2.956 127 H ALA 23 H ALA 23 -9.038 0.142 -3.565 128 HA ALA 23 HA ALA 23 -10.467 0.205 -5.854 129 HB1 ALA 23 1HB ALA 23 -9.609 -1.779 -4.476 130 HB2 ALA 23 2HB ALA 23 -11.122 -1.657 -3.546 131 HB3 ALA 23 3HB ALA 23 -11.175 -2.002 -5.292 132 H ARG 24 H ARG 24 -11.860 0.301 -2.495 133 HA ARG 24 HA ARG 24 -14.425 0.370 -2.958 134 HB3 ARG 24 2HB ARG 24 -14.371 2.434 -1.177 135 HG3 ARG 24 2HG ARG 24 -13.472 -0.443 -0.696 136 HD3 ARG 24 2HD ARG 24 -14.077 -0.069 1.670 137 HE ARG 24 HE ARG 24 -11.855 1.345 0.443 138 HH11 ARG 24 2HH2 ARG 24 -13.530 0.854 3.527 139 HH12 ARG 24 1HH2 ARG 24 -12.139 1.239 4.486 140 HH22 ARG 24 1HH ARG 24 -10.086 1.822 3.394 141 H GLY 25 H GLY 25 -12.111 2.839 -3.999 142 HA2 GLY 25 1HA GLY 25 -14.272 4.216 -5.433 143 HA3 GLY 25 2HA GLY 25 -13.231 5.150 -4.377 144 H ASP 26 H ASP 26 -10.730 3.821 -4.779 145 HA ASP 26 HA ASP 26 -10.242 3.567 -7.542 146 HB3 ASP 26 2HB ASP 26 -8.614 5.528 -7.634 147 HD2 ASP 26 HD ASP 26 -11.106 8.140 -7.814 148 H ASP 27 H ASP 27 -7.591 5.196 -6.148 149 HA ASP 27 HA ASP 27 -6.680 3.031 -4.528 150 HB3 ASP 27 2HB ASP 27 -6.161 2.524 -7.056 151 HD2 ASP 27 HD ASP 27 -3.181 3.426 -5.993 152 H MET 28 H MET 28 -4.860 3.745 -3.195 153 HA MET 28 HA MET 28 -4.431 6.612 -3.387 154 HB3 MET 28 2HB MET 28 -3.510 6.189 -0.977 155 HG3 MET 28 2HG MET 28 -5.806 5.923 -0.002 156 HE1 MET 28 1HE MET 28 -8.086 7.736 -0.647 157 HE2 MET 28 2HE MET 28 -7.935 8.822 -2.051 158 HE3 MET 28 3HE MET 28 -7.994 7.058 -2.291 159 H ASP 29 H ASP 29 -2.325 4.230 -1.720 160 HA ASP 29 HA ASP 29 -0.320 4.636 -3.762 161 HB3 ASP 29 2HB ASP 29 1.388 5.286 -2.161 162 HD2 ASP 29 HD ASP 29 1.045 8.073 -2.652 163 H ASP 30 H ASP 30 1.519 3.558 -1.342 164 HA ASP 30 HA ASP 30 0.407 0.915 -1.098 165 HB3 ASP 30 2HB ASP 30 2.523 -0.155 -1.871 166 HD2 ASP 30 HD ASP 30 3.119 -0.296 -4.308 167 H TYR 31 H TYR 31 0.636 0.503 1.104 168 HA TYR 31 HA TYR 31 3.027 1.605 2.424 169 HB3 TYR 31 2HB TYR 31 0.250 2.054 2.815 170 HD1 TYR 31 HD2 TYR 31 -0.905 -0.199 2.991 171 HD2 TYR 31 HD1 TYR 31 1.712 1.288 6.031 172 HE1 TYR 31 HE2 TYR 31 -1.891 -1.848 4.656 173 HE2 TYR 31 HE1 TYR 31 0.718 -0.366 7.686 174 HH TYR 31 HH TYR 31 -2.150 -2.007 7.090 175 H CYS 32 H CYS 32 3.753 0.345 4.366 176 HA CYS 32 HA CYS 32 3.920 -2.395 3.658 177 HB3 CYS 32 2HB CYS 32 5.741 -1.020 4.716 178 H ASN 33 H ASN 33 2.133 -3.700 3.956 179 HA ASN 33 HA ASN 33 0.365 -3.098 6.136 180 HB3 ASN 33 2HB ASN 33 -0.167 -3.954 3.633 181 HD21 ASN 33 1HD2 ASN 33 0.454 -5.539 2.393 182 HD22 ASN 33 2HD2 ASN 33 0.605 -7.212 2.814 183 H GLY 34 H GLY 34 3.284 -4.450 6.111 184 HA2 GLY 34 1HA GLY 34 4.243 -5.742 7.749 185 HA3 GLY 34 2HA GLY 34 2.669 -6.351 8.220 186 H LYS 35 H LYS 35 3.164 -6.377 4.784 187 HA LYS 35 HA LYS 35 4.099 -9.152 4.895 188 HB3 LYS 35 2HB LYS 35 2.150 -8.702 2.779 189 HG3 LYS 35 2HG LYS 35 1.203 -10.655 4.526 190 HD3 LYS 35 2HD LYS 35 3.298 -10.908 2.316 191 HE3 LYS 35 2HE LYS 35 1.581 -13.183 2.449 192 HZ1 LYS 35 1HZ LYS 35 4.441 -12.724 3.067 193 HZ2 LYS 35 2HZ LYS 35 3.790 -14.217 3.115 194 H THR 36 H THR 36 3.373 -6.291 2.784 195 HA THR 36 HA THR 36 6.034 -6.462 1.690 196 HB THR 36 HB THR 36 4.758 -8.147 0.339 197 HG1 THR 36 HG1 THR 36 5.281 -6.975 -1.687 198 HG21 THR 36 1HG2 THR 36 2.696 -7.712 -0.564 199 HG22 THR 36 2HG2 THR 36 2.624 -6.313 0.534 200 HG23 THR 36 3HG2 THR 36 3.217 -6.108 -1.131 201 H CYS 37 H CYS 37 5.990 -4.726 -0.333 202 HA CYS 37 HA CYS 37 4.497 -2.429 0.690 203 HB3 CYS 37 2HB CYS 37 6.759 -2.246 1.546 204 H ASP 38 H ASP 38 3.238 -3.648 -1.238 205 HA ASP 38 HA ASP 38 4.033 -2.207 -3.630 206 HB3 ASP 38 2HB ASP 38 2.775 -4.936 -3.901 207 HD2 ASP 38 HD ASP 38 4.712 -2.605 -6.289 208 H CYS 39 H CYS 39 2.173 -1.122 -1.967 209 HA CYS 39 HA CYS 39 0.147 -0.212 -2.212 210 HB3 CYS 39 2HB CYS 39 0.215 -1.321 -4.605 211 HA PRO 40 HA PRO 40 -0.888 -3.990 0.401 212 HB3 PRO 40 2HB PRO 40 1.077 -4.963 1.102 213 HG3 PRO 40 2HG PRO 40 2.978 -3.744 0.628 214 HD3 PRO 40 2HD PRO 40 2.231 -2.501 -1.156 215 H ARG 41 H ARG 41 -2.433 -1.992 0.224 216 HA ARG 41 HA ARG 41 -3.332 -1.639 2.803 217 HB3 ARG 41 2HB ARG 41 -1.986 0.856 1.649 218 HG3 ARG 41 2HG ARG 41 -3.591 0.306 4.176 219 HD3 ARG 41 2HD ARG 41 -2.668 2.982 4.224 220 HE ARG 41 HE ARG 41 -1.379 0.969 5.960 221 HH11 ARG 41 2HH2 ARG 41 -4.221 3.015 5.415 222 HH12 ARG 41 1HH2 ARG 41 -4.747 2.938 7.063 223 HH22 ARG 41 1HH ARG 41 -3.468 1.670 8.645 224 H ASN 42 H ASN 42 -4.705 -2.496 0.684 225 HA ASN 42 HA ASN 42 -6.287 -0.173 -0.072 226 HB3 ASN 42 2HB ASN 42 -5.232 -0.685 -2.140 227 HD21 ASN 42 1HD2 ASN 42 -4.184 -2.506 -0.074 228 HD22 ASN 42 2HD2 ASN 42 -3.686 -3.954 -0.884 229 HA PRO 43 HA PRO 43 -8.625 -3.765 1.711 230 HB3 PRO 43 2HB PRO 43 -7.976 -3.745 3.921 231 HG3 PRO 43 2HG PRO 43 -6.710 -1.918 4.536 232 HD3 PRO 43 2HD PRO 43 -5.835 -1.322 2.496 233 H HIS 44 H HIS 44 -9.417 -2.127 -0.296 234 HA HIS 44 HA HIS 44 -11.945 -1.067 0.704 235 HB3 HIS 44 2HB HIS 44 -11.869 0.497 -0.931 236 HD1 HIS 44 HD1 HIS 44 -9.444 -0.026 1.201 237 HD2 HIS 44 HD2 HIS 44 -9.126 1.215 -2.793 238 HE1 HIS 44 HE1 HIS 44 -7.203 1.178 1.003 239 H LYS 45 H LYS 45 -12.750 -1.275 -2.341 240 HA LYS 45 HA LYS 45 -14.628 -3.018 -2.398 241 HB3 LYS 45 2HB LYS 45 -13.893 -3.691 -4.768 242 HG3 LYS 45 2HG LYS 45 -13.655 -0.786 -4.844 243 HD3 LYS 45 2HD LYS 45 -15.383 -2.949 -5.845 244 HE3 LYS 45 2HE LYS 45 -16.618 -0.500 -4.626 245 HZ1 LYS 45 1HZ LYS 45 -18.212 -0.298 -6.339 246 HZ2 LYS 45 2HZ LYS 45 -16.801 -0.325 -7.151 247 H GLY 46 H GLY 46 -11.487 -4.408 -3.545 248 HA2 GLY 46 1HA GLY 46 -11.769 -6.622 -1.666 249 HA3 GLY 46 2HA GLY 46 -11.935 -7.009 -3.368 250 HA PRO 47 HA PRO 47 -7.580 -5.491 -3.509 251 HB3 PRO 47 2HB PRO 47 -7.470 -3.227 -3.918 252 HG3 PRO 47 2HG PRO 47 -9.240 -2.011 -3.079 253 HD3 PRO 47 2HD PRO 47 -10.849 -3.650 -2.975 254 H ALA 48 H ALA 48 -5.648 -4.258 -1.701 255 HA ALA 48 HA ALA 48 -5.026 -4.606 0.551 256 HB1 ALA 48 1HB ALA 48 -5.633 -6.624 1.739 257 HB2 ALA 48 2HB ALA 48 -7.107 -5.963 0.991 258 HB3 ALA 48 3HB ALA 48 -6.285 -7.360 0.256 259 H THR 49 H THR 49 -2.848 -4.819 0.529 260 HA THR 49 HA THR 49 -1.727 -7.128 -0.891 261 HB THR 49 HB THR 49 -1.350 -4.188 -1.437 262 HG1 THR 49 HG1 THR 49 -2.435 -5.885 -2.804 263 HG21 THR 49 1HG2 THR 49 0.896 -5.874 -0.813 264 HG22 THR 49 2HG2 THR 49 0.819 -5.735 -2.585 265 HG23 THR 49 3HG2 THR 49 0.927 -4.269 -1.581 Start of MODEL 2 1 H2 GLU 1 1H GLU 1 6.068 -2.922 -3.942 2 HA GLU 1 HA GLU 1 7.478 -4.121 -2.772 3 HB3 GLU 1 2HB GLU 1 6.117 -5.921 -3.620 4 HG3 GLU 1 2HG GLU 1 7.993 -6.089 -6.021 5 HE2 GLU 1 HE GLU 1 4.461 -7.723 -6.162 6 H CYS 2 H CYS 2 9.474 -3.140 -2.542 7 HA CYS 2 HA CYS 2 11.278 -2.989 -4.732 8 HB3 CYS 2 2HB CYS 2 11.561 -2.333 -1.797 9 H GLU 3 H GLU 3 10.231 -5.554 -2.902 10 HA GLU 3 HA GLU 3 10.968 -7.562 -2.531 11 HB3 GLU 3 2HB GLU 3 13.465 -7.927 -3.701 12 HG3 GLU 3 2HG GLU 3 11.050 -9.017 -4.041 13 HE2 GLU 3 HE GLU 3 12.252 -7.019 -6.636 14 H SER 4 H SER 4 11.223 -6.201 -0.345 15 HA SER 4 HA SER 4 13.492 -7.254 0.892 16 HB3 SER 4 2HB SER 4 13.506 -4.281 0.271 17 HG SER 4 HG SER 4 14.287 -5.517 2.617 18 H GLY 5 H GLY 5 10.503 -7.056 1.036 19 HA2 GLY 5 1HA GLY 5 9.247 -7.316 2.988 20 HA3 GLY 5 2HA GLY 5 10.335 -6.247 3.850 21 HA PRO 6 HA PRO 6 6.658 -3.900 2.314 22 HB3 PRO 6 2HB PRO 6 4.874 -4.875 3.394 23 HG3 PRO 6 2HG PRO 6 5.451 -6.429 4.999 24 HD3 PRO 6 2HD PRO 6 7.530 -7.049 4.237 25 H CYS 7 H CYS 7 5.749 -1.705 3.170 26 HA CYS 7 HA CYS 7 6.167 0.289 4.023 27 HB3 CYS 7 2HB CYS 7 8.585 0.138 5.460 28 H CYS 8 H CYS 8 6.872 -0.290 1.442 29 HA CYS 8 HA CYS 8 8.906 1.578 0.946 30 HB3 CYS 8 2HB CYS 8 10.390 -0.245 1.603 31 H ARG 9 H ARG 9 6.289 1.573 0.205 32 HA ARG 9 HA ARG 9 4.937 0.590 -1.512 33 HB3 ARG 9 2HB ARG 9 4.396 2.773 -1.892 34 HG3 ARG 9 2HG ARG 9 7.367 3.294 -1.452 35 HD3 ARG 9 2HD ARG 9 5.109 5.291 -1.966 36 HE ARG 9 HE ARG 9 7.047 5.792 -0.175 37 HH11 ARG 9 2HH2 ARG 9 6.884 6.789 -3.572 38 HH12 ARG 9 1HH2 ARG 9 7.820 8.225 -3.323 39 HH22 ARG 9 1HH ARG 9 8.631 8.733 -1.126 40 H ASN 10 H ASN 10 7.627 2.245 -3.297 41 HA ASN 10 HA ASN 10 7.679 -0.074 -5.049 42 HB3 ASN 10 2HB ASN 10 7.200 2.261 -6.001 43 HD21 ASN 10 1HD2 ASN 10 7.685 3.825 -4.347 44 HD22 ASN 10 2HD2 ASN 10 9.161 4.731 -4.395 45 H CYS 11 H CYS 11 9.573 2.136 -2.961 46 HA CYS 11 HA CYS 11 11.436 0.496 -2.091 47 HB3 CYS 11 2HB CYS 11 12.681 1.615 -4.595 48 H LYS 12 H LYS 12 10.653 2.361 -0.666 49 HA LYS 12 HA LYS 12 12.653 4.107 -0.093 50 HB3 LYS 12 2HB LYS 12 10.750 5.975 -1.296 51 HG3 LYS 12 2HG LYS 12 12.920 6.920 -2.169 52 HD3 LYS 12 2HD LYS 12 13.616 6.322 0.661 53 HE3 LYS 12 2HE LYS 12 12.933 8.997 0.449 54 HZ1 LYS 12 1HZ LYS 12 15.187 9.264 0.633 55 HZ2 LYS 12 2HZ LYS 12 15.175 7.659 0.912 56 H PHE 13 H PHE 13 9.318 3.087 -0.116 57 HA PHE 13 HA PHE 13 7.758 3.096 1.441 58 HB3 PHE 13 2HB PHE 13 10.203 3.990 3.063 59 HD1 PHE 13 HD1 PHE 13 6.740 2.668 3.557 60 HD2 PHE 13 HD2 PHE 13 9.989 4.864 5.179 61 HE1 PHE 13 HE1 PHE 13 5.381 3.163 5.609 62 HE2 PHE 13 HE2 PHE 13 8.631 5.359 7.230 63 HZ PHE 13 HZ PHE 13 6.343 4.502 7.421 64 H LEU 14 H LEU 14 6.196 4.489 2.490 65 HA LEU 14 HA LEU 14 6.735 7.323 1.943 66 HB3 LEU 14 2HB LEU 14 3.999 6.122 2.202 67 HG LEU 14 HG LEU 14 3.596 7.823 0.307 68 HD11 LEU 14 1HD1 LEU 14 2.716 7.973 2.628 69 HD12 LEU 14 2HD1 LEU 14 4.163 8.905 3.079 70 HD13 LEU 14 3HD1 LEU 14 3.026 9.555 1.874 71 HD21 LEU 14 1HD2 LEU 14 5.855 9.391 1.482 72 HD22 LEU 14 2HD2 LEU 14 6.211 8.188 0.220 73 HD23 LEU 14 3HD2 LEU 14 5.075 9.518 -0.112 74 H LYS 15 H LYS 15 4.176 5.775 3.945 75 HA LYS 15 HA LYS 15 5.399 6.192 6.409 76 HB3 LYS 15 2HB LYS 15 5.262 8.588 5.722 77 HG3 LYS 15 2HG LYS 15 2.281 8.388 6.218 78 HD3 LYS 15 2HD LYS 15 3.501 10.336 4.314 79 HE3 LYS 15 2HE LYS 15 1.100 10.062 5.777 80 HZ1 LYS 15 1HZ LYS 15 2.022 11.040 7.725 81 HZ2 LYS 15 2HZ LYS 15 2.839 12.184 6.903 82 H GLU 16 H GLU 16 4.497 4.171 6.846 83 HA GLU 16 HA GLU 16 2.581 2.777 6.491 84 HB3 GLU 16 2HB GLU 16 1.726 2.884 9.002 85 HG3 GLU 16 2HG GLU 16 4.665 2.410 8.310 86 HE2 GLU 16 HE GLU 16 2.173 1.643 10.977 87 H GLY 17 H GLY 17 0.730 3.110 5.327 88 HA2 GLY 17 1HA GLY 17 -1.654 3.797 6.090 89 HA3 GLY 17 2HA GLY 17 -0.965 5.407 6.024 90 H THR 18 H THR 18 0.839 3.898 3.743 91 HA THR 18 HA THR 18 -0.632 5.047 1.594 92 HB THR 18 HB THR 18 1.413 3.347 0.603 93 HG1 THR 18 HG1 THR 18 2.932 3.399 2.273 94 HG21 THR 18 1HG2 THR 18 2.318 5.999 1.602 95 HG22 THR 18 2HG2 THR 18 2.354 5.346 -0.053 96 HG23 THR 18 3HG2 THR 18 0.860 6.075 0.586 97 H ILE 19 H ILE 19 -2.711 4.046 1.687 98 HA ILE 19 HA ILE 19 -3.088 1.297 1.625 99 HB ILE 19 HB ILE 19 -5.080 2.164 2.022 100 HG13 ILE 19 2HG1 ILE 19 -6.183 1.395 0.244 101 HG21 ILE 19 1HG2 ILE 19 -4.363 4.379 2.366 102 HG22 ILE 19 2HG2 ILE 19 -4.077 4.649 0.630 103 HG23 ILE 19 3HG2 ILE 19 -5.740 4.499 1.245 104 HD11 ILE 19 1HD1 ILE 19 -5.731 4.276 -0.615 105 HD12 ILE 19 2HD1 ILE 19 -6.699 3.148 -1.595 106 HD13 ILE 19 3HD1 ILE 19 -7.204 3.544 0.065 107 H CYS 20 H CYS 20 -3.178 -0.245 0.002 108 HA CYS 20 HA CYS 20 -1.545 0.005 -2.144 109 HB3 CYS 20 2HB CYS 20 -3.738 -1.832 -1.383 110 H LYS 21 H LYS 21 -5.007 -0.579 -2.891 111 HA LYS 21 HA LYS 21 -5.003 1.856 -4.524 112 HB3 LYS 21 2HB LYS 21 -6.079 0.640 -6.345 113 HG3 LYS 21 2HG LYS 21 -3.827 -1.219 -5.939 114 HD3 LYS 21 2HD LYS 21 -3.012 -0.144 -7.991 115 HE3 LYS 21 2HE LYS 21 -5.856 -0.003 -8.731 116 HZ1 LYS 21 1HZ LYS 21 -3.600 -1.835 -9.328 117 HZ2 LYS 21 2HZ LYS 21 -5.076 -2.024 -9.989 118 H ARG 22 H ARG 22 -6.657 3.170 -3.988 119 HA ARG 22 HA ARG 22 -8.489 2.398 -2.068 120 HB3 ARG 22 2HB ARG 22 -8.490 4.725 -4.052 121 HG3 ARG 22 2HG ARG 22 -10.723 4.807 -3.389 122 HD3 ARG 22 2HD ARG 22 -10.613 2.710 -2.010 123 HE ARG 22 HE ARG 22 -8.871 3.109 -0.391 124 HH11 ARG 22 2HH2 ARG 22 -11.722 5.142 0.149 125 HH12 ARG 22 1HH2 ARG 22 -11.278 5.549 1.771 126 HH22 ARG 22 1HH ARG 22 -9.252 4.659 2.693 127 H ALA 23 H ALA 23 -8.929 0.290 -3.570 128 HA ALA 23 HA ALA 23 -10.338 0.150 -5.793 129 HB1 ALA 23 1HB ALA 23 -10.376 -1.958 -5.016 130 HB2 ALA 23 2HB ALA 23 -10.128 -1.391 -3.347 131 HB3 ALA 23 3HB ALA 23 -11.776 -1.515 -4.009 132 H ARG 24 H ARG 24 -12.058 0.519 -2.604 133 HA ARG 24 HA ARG 24 -14.505 0.849 -3.260 134 HB3 ARG 24 2HB ARG 24 -14.427 3.055 -1.681 135 HG3 ARG 24 2HG ARG 24 -13.805 0.170 -0.931 136 HD3 ARG 24 2HD ARG 24 -14.410 0.817 1.411 137 HE ARG 24 HE ARG 24 -11.958 1.868 0.134 138 HH11 ARG 24 2HH2 ARG 24 -13.637 1.123 3.162 139 HH12 ARG 24 1HH2 ARG 24 -12.185 1.096 4.106 140 HH22 ARG 24 1HH ARG 24 -10.082 1.515 3.036 141 H GLY 25 H GLY 25 -11.924 3.103 -4.235 142 HA2 GLY 25 1HA GLY 25 -13.862 4.487 -5.974 143 HA3 GLY 25 2HA GLY 25 -12.774 5.407 -4.954 144 H ASP 26 H ASP 26 -10.396 3.868 -5.093 145 HA ASP 26 HA ASP 26 -9.806 3.214 -7.760 146 HB3 ASP 26 2HB ASP 26 -8.647 5.816 -6.653 147 HD2 ASP 26 HD ASP 26 -6.695 6.342 -9.380 148 H ASP 27 H ASP 27 -7.122 4.886 -6.484 149 HA ASP 27 HA ASP 27 -6.406 2.839 -4.598 150 HB3 ASP 27 2HB ASP 27 -5.681 2.204 -7.047 151 HD2 ASP 27 HD ASP 27 -3.075 3.889 -5.493 152 H MET 28 H MET 28 -4.688 3.607 -3.160 153 HA MET 28 HA MET 28 -4.228 6.462 -3.452 154 HB3 MET 28 2HB MET 28 -3.517 6.171 -0.964 155 HG3 MET 28 2HG MET 28 -5.876 5.905 -0.158 156 HE1 MET 28 1HE MET 28 -5.627 7.742 -4.134 157 HE2 MET 28 2HE MET 28 -6.567 6.330 -3.599 158 HE3 MET 28 3HE MET 28 -7.320 7.941 -3.623 159 H ASP 29 H ASP 29 -2.304 4.027 -1.612 160 HA ASP 29 HA ASP 29 -0.136 4.376 -3.475 161 HB3 ASP 29 2HB ASP 29 1.453 5.112 -1.810 162 HD2 ASP 29 HD ASP 29 -0.288 8.017 -2.829 163 H ASP 30 H ASP 30 1.544 3.387 -0.929 164 HA ASP 30 HA ASP 30 0.400 0.731 -0.744 165 HB3 ASP 30 2HB ASP 30 2.536 -0.336 -1.223 166 HD2 ASP 30 HD ASP 30 2.987 1.382 -4.645 167 H TYR 31 H TYR 31 0.360 0.188 1.445 168 HA TYR 31 HA TYR 31 2.325 1.529 3.179 169 HB3 TYR 31 2HB TYR 31 -0.569 1.389 3.099 170 HD1 TYR 31 HD1 TYR 31 1.497 0.467 6.100 171 HD2 TYR 31 HD2 TYR 31 -2.046 -0.249 3.812 172 HE1 TYR 31 HE1 TYR 31 0.722 -1.236 7.821 173 HE2 TYR 31 HE2 TYR 31 -2.810 -1.949 5.541 174 HH TYR 31 HH TYR 31 -0.902 -3.376 7.629 175 H CYS 32 H CYS 32 3.865 0.140 3.880 176 HA CYS 32 HA CYS 32 4.116 -2.437 3.532 177 HB3 CYS 32 2HB CYS 32 5.823 -1.222 4.645 178 H ASN 33 H ASN 33 3.033 -4.325 4.045 179 HA ASN 33 HA ASN 33 0.940 -4.051 6.052 180 HB3 ASN 33 2HB ASN 33 0.040 -4.619 3.841 181 HD21 ASN 33 1HD2 ASN 33 -0.214 -6.327 2.196 182 HD22 ASN 33 2HD2 ASN 33 1.198 -7.122 1.584 183 H GLY 34 H GLY 34 3.964 -4.757 6.253 184 HA2 GLY 34 1HA GLY 34 5.145 -6.069 7.673 185 HA3 GLY 34 2HA GLY 34 3.679 -6.927 8.103 186 H LYS 35 H LYS 35 3.530 -7.027 4.820 187 HA LYS 35 HA LYS 35 5.044 -9.540 4.735 188 HB3 LYS 35 2HB LYS 35 3.133 -9.338 2.611 189 HG3 LYS 35 2HG LYS 35 2.894 -11.026 5.128 190 HD3 LYS 35 2HD LYS 35 2.522 -12.685 3.004 191 HE3 LYS 35 2HE LYS 35 0.088 -11.080 3.467 192 HZ1 LYS 35 1HZ LYS 35 0.994 -13.848 3.753 193 HZ2 LYS 35 2HZ LYS 35 -0.300 -13.404 4.638 194 H THR 36 H THR 36 3.799 -7.054 2.392 195 HA THR 36 HA THR 36 6.523 -6.645 1.461 196 HB THR 36 HB THR 36 4.258 -7.848 -0.206 197 HG1 THR 36 HG1 THR 36 5.617 -9.415 0.740 198 HG21 THR 36 1HG2 THR 36 6.021 -7.739 -2.067 199 HG22 THR 36 2HG2 THR 36 5.284 -6.173 -1.656 200 HG23 THR 36 3HG2 THR 36 6.910 -6.577 -1.054 201 H CYS 37 H CYS 37 6.666 -4.801 -0.089 202 HA CYS 37 HA CYS 37 4.622 -2.856 0.667 203 HB3 CYS 37 2HB CYS 37 6.739 -2.135 1.401 204 H ASP 38 H ASP 38 3.132 -3.716 -1.000 205 HA ASP 38 HA ASP 38 3.790 -2.577 -3.567 206 HB3 ASP 38 2HB ASP 38 2.689 -5.411 -3.280 207 HD2 ASP 38 HD ASP 38 4.897 -4.202 -5.508 208 H CYS 39 H CYS 39 2.117 -1.253 -1.987 209 HA CYS 39 HA CYS 39 0.090 -0.367 -1.990 210 HB3 CYS 39 2HB CYS 39 -0.027 -1.445 -4.377 211 HA PRO 40 HA PRO 40 -0.807 -3.989 0.827 212 HB3 PRO 40 2HB PRO 40 1.222 -4.664 1.683 213 HG3 PRO 40 2HG PRO 40 2.993 -3.281 1.166 214 HD3 PRO 40 2HD PRO 40 2.194 -2.291 -0.749 215 H ARG 41 H ARG 41 -2.422 -1.984 0.341 216 HA ARG 41 HA ARG 41 -3.627 -1.637 2.790 217 HB3 ARG 41 2HB ARG 41 -2.321 0.936 1.778 218 HG3 ARG 41 2HG ARG 41 -4.021 0.190 4.186 219 HD3 ARG 41 2HD ARG 41 -3.136 2.918 4.346 220 HE ARG 41 HE ARG 41 -2.146 0.916 6.269 221 HH11 ARG 41 2HH2 ARG 41 -4.886 2.934 5.281 222 HH12 ARG 41 1HH2 ARG 41 -5.655 2.867 6.832 223 HH22 ARG 41 1HH ARG 41 -4.622 1.623 8.600 224 H ASN 42 H ASN 42 -5.027 -2.527 0.905 225 HA ASN 42 HA ASN 42 -6.408 -0.255 -0.247 226 HB3 ASN 42 2HB ASN 42 -5.143 -0.986 -2.151 227 HD21 ASN 42 1HD2 ASN 42 -4.373 -2.714 0.047 228 HD22 ASN 42 2HD2 ASN 42 -3.992 -4.268 -0.613 229 HA PRO 43 HA PRO 43 -8.928 -3.717 1.588 230 HB3 PRO 43 2HB PRO 43 -8.350 -3.690 3.816 231 HG3 PRO 43 2HG PRO 43 -7.026 -1.909 4.445 232 HD3 PRO 43 2HD PRO 43 -6.061 -1.384 2.426 233 H HIS 44 H HIS 44 -9.623 -2.174 -0.483 234 HA HIS 44 HA HIS 44 -12.167 -1.044 0.429 235 HB3 HIS 44 2HB HIS 44 -11.953 0.634 -1.063 236 HD1 HIS 44 HD1 HIS 44 -9.760 0.199 1.169 237 HD2 HIS 44 HD2 HIS 44 -8.986 1.080 -2.859 238 HE1 HIS 44 HE1 HIS 44 -7.439 1.258 1.102 239 H LYS 45 H LYS 45 -12.661 -1.095 -2.726 240 HA LYS 45 HA LYS 45 -14.572 -2.729 -3.089 241 HB3 LYS 45 2HB LYS 45 -13.672 -3.387 -5.339 242 HG3 LYS 45 2HG LYS 45 -12.979 -0.794 -5.807 243 HD3 LYS 45 2HD LYS 45 -15.100 -2.106 -6.484 244 HE3 LYS 45 2HE LYS 45 -15.842 -1.111 -3.736 245 HZ1 LYS 45 1HZ LYS 45 -17.373 -0.525 -6.023 246 HZ2 LYS 45 2HZ LYS 45 -18.170 -1.668 -5.180 247 H GLY 46 H GLY 46 -11.330 -4.275 -3.621 248 HA2 GLY 46 1HA GLY 46 -12.159 -6.517 -1.936 249 HA3 GLY 46 2HA GLY 46 -11.863 -6.845 -3.631 250 HA PRO 47 HA PRO 47 -7.559 -5.668 -2.761 251 HB3 PRO 47 2HB PRO 47 -7.161 -3.616 -3.726 252 HG3 PRO 47 2HG PRO 47 -8.979 -2.197 -3.756 253 HD3 PRO 47 2HD PRO 47 -10.692 -3.727 -3.643 254 H ALA 48 H ALA 48 -5.770 -4.616 -1.066 255 HA ALA 48 HA ALA 48 -5.911 -4.110 1.376 256 HB1 ALA 48 1HB ALA 48 -7.949 -5.181 1.934 257 HB2 ALA 48 2HB ALA 48 -7.464 -6.703 1.148 258 HB3 ALA 48 3HB ALA 48 -6.694 -6.203 2.673 259 H THR 49 H THR 49 -3.677 -4.039 1.038 260 HA THR 49 HA THR 49 -2.361 -6.672 1.136 261 HB THR 49 HB THR 49 -1.610 -4.182 -0.484 262 HG1 THR 49 HG1 THR 49 -3.311 -6.127 -0.936 263 HG21 THR 49 1HG2 THR 49 -0.139 -6.741 0.188 264 HG22 THR 49 2HG2 THR 49 -0.004 -6.094 -1.464 265 HG23 THR 49 3HG2 THR 49 0.516 -5.108 -0.077 Start of MODEL 3 1 H2 GLU 1 1H GLU 1 12.348 -5.379 0.233 2 HA GLU 1 HA GLU 1 9.651 -4.267 0.265 3 HB3 GLU 1 2HB GLU 1 10.779 -1.996 0.133 4 HG3 GLU 1 2HG GLU 1 10.298 -3.629 2.372 5 HE2 GLU 1 HE GLU 1 14.062 -2.356 2.753 6 H CYS 2 H CYS 2 12.750 -3.478 -1.461 7 HA CYS 2 HA CYS 2 11.845 -2.644 -3.780 8 HB3 CYS 2 2HB CYS 2 13.911 -4.667 -4.237 9 H GLU 3 H GLU 3 11.732 -6.010 -2.570 10 HA GLU 3 HA GLU 3 9.631 -6.624 -4.313 11 HB3 GLU 3 2HB GLU 3 12.022 -8.361 -4.909 12 HG3 GLU 3 2HG GLU 3 9.332 -8.235 -5.761 13 HE2 GLU 3 HE GLU 3 10.140 -5.471 -7.365 14 H SER 4 H SER 4 10.111 -6.630 -1.490 15 HA SER 4 HA SER 4 8.938 -8.820 -0.646 16 HB3 SER 4 2HB SER 4 11.806 -9.448 -1.214 17 HG SER 4 HG SER 4 10.474 -10.100 1.237 18 H GLY 5 H GLY 5 8.457 -6.727 0.541 19 HA2 GLY 5 1HA GLY 5 9.221 -6.761 3.161 20 HA3 GLY 5 2HA GLY 5 10.401 -5.718 2.393 21 HA PRO 6 HA PRO 6 6.096 -3.734 2.661 22 HB3 PRO 6 2HB PRO 6 4.684 -4.818 4.122 23 HG3 PRO 6 2HG PRO 6 5.706 -6.397 5.455 24 HD3 PRO 6 2HD PRO 6 7.536 -6.904 4.160 25 H CYS 7 H CYS 7 5.802 -1.521 2.818 26 HA CYS 7 HA CYS 7 6.225 0.483 3.840 27 HB3 CYS 7 2HB CYS 7 8.166 0.918 5.225 28 H CYS 8 H CYS 8 6.256 0.437 1.327 29 HA CYS 8 HA CYS 8 8.217 2.031 0.369 30 HB3 CYS 8 2HB CYS 8 9.417 -0.404 0.786 31 H ARG 9 H ARG 9 7.148 2.927 -1.365 32 HA ARG 9 HA ARG 9 4.868 1.647 -2.361 33 HB3 ARG 9 2HB ARG 9 4.569 3.924 -2.578 34 HG3 ARG 9 2HG ARG 9 6.771 5.272 -3.477 35 HD3 ARG 9 2HD ARG 9 5.502 5.780 -1.390 36 HE ARG 9 HE ARG 9 7.108 3.804 0.136 37 HH11 ARG 9 2HH2 ARG 9 3.945 4.721 -1.172 38 HH12 ARG 9 1HH2 ARG 9 3.068 3.633 -0.149 39 HH22 ARG 9 1HH ARG 9 4.267 2.259 1.406 40 H ASN 10 H ASN 10 8.119 1.064 -2.942 41 HA ASN 10 HA ASN 10 7.585 -0.557 -5.135 42 HB3 ASN 10 2HB ASN 10 8.123 0.725 -6.956 43 HD21 ASN 10 1HD2 ASN 10 9.190 2.882 -4.333 44 HD22 ASN 10 2HD2 ASN 10 8.066 4.166 -4.631 45 H CYS 11 H CYS 11 9.944 1.492 -3.325 46 HA CYS 11 HA CYS 11 11.419 -0.641 -2.392 47 HB3 CYS 11 2HB CYS 11 12.766 0.692 -4.750 48 H LYS 12 H LYS 12 10.182 1.863 -1.576 49 HA LYS 12 HA LYS 12 12.557 3.160 -0.486 50 HB3 LYS 12 2HB LYS 12 10.598 5.178 -1.027 51 HG3 LYS 12 2HG LYS 12 13.147 4.960 -2.598 52 HD3 LYS 12 2HD LYS 12 11.583 7.052 -1.079 53 HE3 LYS 12 2HE LYS 12 13.843 8.424 -1.817 54 HZ1 LYS 12 1HZ LYS 12 12.564 7.918 0.500 55 HZ2 LYS 12 2HZ LYS 12 14.016 7.258 0.824 56 H PHE 13 H PHE 13 9.178 4.304 -0.292 57 HA PHE 13 HA PHE 13 7.865 3.133 1.515 58 HB3 PHE 13 2HB PHE 13 10.482 4.065 2.781 59 HD1 PHE 13 HD1 PHE 13 7.141 2.844 3.947 60 HD2 PHE 13 HD2 PHE 13 10.541 5.255 4.741 61 HE1 PHE 13 HE1 PHE 13 6.120 3.567 6.123 62 HE2 PHE 13 HE2 PHE 13 9.520 5.979 6.916 63 HZ PHE 13 HZ PHE 13 7.322 5.126 7.582 64 H LEU 14 H LEU 14 6.147 4.430 2.040 65 HA LEU 14 HA LEU 14 6.560 7.289 1.707 66 HB3 LEU 14 2HB LEU 14 3.899 5.994 2.132 67 HG LEU 14 HG LEU 14 3.100 7.582 0.502 68 HD11 LEU 14 1HD1 LEU 14 3.143 8.349 2.795 69 HD12 LEU 14 2HD1 LEU 14 4.822 8.910 2.612 70 HD13 LEU 14 3HD1 LEU 14 3.516 9.703 1.701 71 HD21 LEU 14 1HD2 LEU 14 5.395 9.290 0.180 72 HD22 LEU 14 2HD2 LEU 14 5.775 7.643 -0.377 73 HD23 LEU 14 3HD2 LEU 14 4.377 8.511 -1.054 74 H LYS 15 H LYS 15 4.227 5.573 3.852 75 HA LYS 15 HA LYS 15 5.519 6.073 6.248 76 HB3 LYS 15 2HB LYS 15 5.385 8.428 5.799 77 HG3 LYS 15 2HG LYS 15 2.739 7.700 4.732 78 HD3 LYS 15 2HD LYS 15 2.173 10.291 5.569 79 HE3 LYS 15 2HE LYS 15 1.270 7.864 7.160 80 HZ1 LYS 15 1HZ LYS 15 0.403 10.207 7.536 81 HZ2 LYS 15 2HZ LYS 15 -0.305 10.125 6.072 82 H GLU 16 H GLU 16 4.711 4.103 6.897 83 HA GLU 16 HA GLU 16 2.838 2.605 6.597 84 HB3 GLU 16 2HB GLU 16 2.073 2.719 9.121 85 HG3 GLU 16 2HG GLU 16 5.013 2.428 8.338 86 HE2 GLU 16 HE GLU 16 6.049 1.867 11.054 87 H GLY 17 H GLY 17 1.394 3.730 5.025 88 HA2 GLY 17 1HA GLY 17 -1.157 4.251 6.175 89 HA3 GLY 17 2HA GLY 17 -0.398 5.738 5.643 90 H THR 18 H THR 18 1.042 4.935 3.364 91 HA THR 18 HA THR 18 -0.638 5.179 1.317 92 HB THR 18 HB THR 18 1.293 3.280 0.440 93 HG1 THR 18 HG1 THR 18 2.617 3.307 2.219 94 HG21 THR 18 1HG2 THR 18 2.414 5.970 0.704 95 HG22 THR 18 2HG2 THR 18 1.952 5.099 -0.778 96 HG23 THR 18 3HG2 THR 18 0.739 6.056 0.107 97 H ILE 19 H ILE 19 -2.085 4.055 0.087 98 HA ILE 19 HA ILE 19 -2.636 1.330 1.039 99 HB ILE 19 HB ILE 19 -4.607 2.141 1.618 100 HG13 ILE 19 2HG1 ILE 19 -5.883 1.248 0.026 101 HG21 ILE 19 1HG2 ILE 19 -5.405 4.434 0.544 102 HG22 ILE 19 2HG2 ILE 19 -4.207 4.372 1.859 103 HG23 ILE 19 3HG2 ILE 19 -3.670 4.578 0.175 104 HD11 ILE 19 1HD1 ILE 19 -6.792 3.557 -0.075 105 HD12 ILE 19 2HD1 ILE 19 -5.593 3.973 -1.323 106 HD13 ILE 19 3HD1 ILE 19 -6.861 2.772 -1.672 107 H CYS 20 H CYS 20 -2.219 -0.235 -0.419 108 HA CYS 20 HA CYS 20 -1.038 -0.181 -2.677 109 HB3 CYS 20 2HB CYS 20 -3.398 -1.808 -1.870 110 H LYS 21 H LYS 21 -4.626 -0.347 -3.122 111 HA LYS 21 HA LYS 21 -4.625 2.090 -4.654 112 HB3 LYS 21 2HB LYS 21 -5.664 0.762 -6.640 113 HG3 LYS 21 2HG LYS 21 -2.677 0.736 -5.999 114 HD3 LYS 21 2HD LYS 21 -3.593 -0.782 -7.950 115 HE3 LYS 21 2HE LYS 21 -5.073 1.219 -8.763 116 HZ1 LYS 21 1HZ LYS 21 -3.775 2.575 -10.408 117 HZ2 LYS 21 2HZ LYS 21 -3.405 2.918 -8.861 118 H ARG 22 H ARG 22 -6.212 2.976 -3.376 119 HA ARG 22 HA ARG 22 -8.180 1.695 -2.102 120 HB3 ARG 22 2HB ARG 22 -7.867 4.453 -3.245 121 HG3 ARG 22 2HG ARG 22 -10.334 3.625 -3.625 122 HD3 ARG 22 2HD ARG 22 -10.755 2.531 -1.496 123 HE ARG 22 HE ARG 22 -9.168 3.671 -0.009 124 HH11 ARG 22 2HH2 ARG 22 -12.200 5.410 -0.588 125 HH12 ARG 22 1HH2 ARG 22 -12.047 6.399 0.826 126 HH22 ARG 22 1HH ARG 22 -10.137 6.126 2.249 127 H ALA 23 H ALA 23 -9.090 -0.062 -3.327 128 HA ALA 23 HA ALA 23 -10.164 0.321 -5.912 129 HB1 ALA 23 1HB ALA 23 -10.786 -1.848 -3.870 130 HB2 ALA 23 2HB ALA 23 -10.970 -1.947 -5.638 131 HB3 ALA 23 3HB ALA 23 -9.346 -1.842 -4.918 132 H ARG 24 H ARG 24 -12.074 -0.811 -3.065 133 HA ARG 24 HA ARG 24 -14.459 -0.416 -3.568 134 HB3 ARG 24 2HB ARG 24 -13.205 -0.274 -1.202 135 HG3 ARG 24 2HG ARG 24 -14.264 2.558 -1.651 136 HD3 ARG 24 2HD ARG 24 -14.555 1.221 0.687 137 HE ARG 24 HE ARG 24 -11.760 1.324 0.514 138 HH11 ARG 24 2HH2 ARG 24 -14.206 2.562 2.758 139 HH12 ARG 24 1HH2 ARG 24 -13.151 2.512 4.130 140 HH22 ARG 24 1HH ARG 24 -10.899 1.741 3.853 141 H GLY 25 H GLY 25 -12.262 2.442 -3.316 142 HA2 GLY 25 1HA GLY 25 -14.330 4.046 -4.699 143 HA3 GLY 25 2HA GLY 25 -13.309 4.685 -3.426 144 H ASP 26 H ASP 26 -11.279 5.495 -3.922 145 HA ASP 26 HA ASP 26 -10.404 4.996 -6.659 146 HB3 ASP 26 2HB ASP 26 -9.537 7.485 -5.215 147 HD2 ASP 26 HD ASP 26 -11.562 7.877 -7.972 148 H ASP 27 H ASP 27 -8.521 3.761 -6.571 149 HA ASP 27 HA ASP 27 -7.166 2.996 -4.459 150 HB3 ASP 27 2HB ASP 27 -6.782 2.538 -7.008 151 HD2 ASP 27 HD ASP 27 -6.128 3.959 -8.878 152 H MET 28 H MET 28 -5.278 3.735 -3.231 153 HA MET 28 HA MET 28 -4.913 6.617 -3.426 154 HB3 MET 28 2HB MET 28 -3.994 6.275 -1.028 155 HG3 MET 28 2HG MET 28 -6.258 5.886 -0.019 156 HE1 MET 28 1HE MET 28 -6.149 9.590 -0.134 157 HE2 MET 28 2HE MET 28 -6.966 8.248 0.704 158 HE3 MET 28 3HE MET 28 -5.210 8.182 0.420 159 H ASP 29 H ASP 29 -2.759 4.323 -1.719 160 HA ASP 29 HA ASP 29 -0.779 4.739 -3.797 161 HB3 ASP 29 2HB ASP 29 0.951 5.221 -2.090 162 HD2 ASP 29 HD ASP 29 -0.765 8.285 -3.112 163 H ASP 30 H ASP 30 0.798 3.599 -1.068 164 HA ASP 30 HA ASP 30 -0.233 0.979 -0.947 165 HB3 ASP 30 2HB ASP 30 0.867 0.437 -2.951 166 HD2 ASP 30 HD ASP 30 3.558 0.224 -3.398 167 H TYR 31 H TYR 31 0.090 0.666 1.262 168 HA TYR 31 HA TYR 31 2.555 1.761 2.426 169 HB3 TYR 31 2HB TYR 31 -0.240 1.898 3.031 170 HD1 TYR 31 HD2 TYR 31 -1.120 -0.450 3.324 171 HD2 TYR 31 HD1 TYR 31 1.641 1.315 6.074 172 HE1 TYR 31 HE2 TYR 31 -1.729 -2.197 5.067 173 HE2 TYR 31 HE1 TYR 31 1.023 -0.438 7.808 174 HH TYR 31 HH TYR 31 -1.597 -2.711 7.219 175 H CYS 32 H CYS 32 3.620 0.483 4.134 176 HA CYS 32 HA CYS 32 3.913 -2.196 3.317 177 HB3 CYS 32 2HB CYS 32 5.843 -1.223 4.155 178 H ASN 33 H ASN 33 2.541 -3.865 3.827 179 HA ASN 33 HA ASN 33 0.790 -3.462 6.096 180 HB3 ASN 33 2HB ASN 33 -0.224 -4.097 3.895 181 HD21 ASN 33 1HD2 ASN 33 -0.923 -6.367 2.898 182 HD22 ASN 33 2HD2 ASN 33 0.389 -7.299 2.257 183 H GLY 34 H GLY 34 3.685 -4.150 6.388 184 HA2 GLY 34 1HA GLY 34 5.011 -5.554 7.535 185 HA3 GLY 34 2HA GLY 34 3.561 -6.147 8.319 186 H LYS 35 H LYS 35 3.379 -6.438 4.881 187 HA LYS 35 HA LYS 35 4.310 -9.218 5.058 188 HB3 LYS 35 2HB LYS 35 2.195 -8.803 3.103 189 HG3 LYS 35 2HG LYS 35 3.216 -10.816 4.861 190 HD3 LYS 35 2HD LYS 35 0.831 -9.647 5.947 191 HE3 LYS 35 2HE LYS 35 0.440 -12.377 4.643 192 HZ1 LYS 35 1HZ LYS 35 -1.401 -11.102 6.578 193 HZ2 LYS 35 2HZ LYS 35 -1.454 -12.628 6.013 194 H THR 36 H THR 36 3.908 -6.213 3.160 195 HA THR 36 HA THR 36 6.313 -6.618 1.778 196 HB THR 36 HB THR 36 4.829 -8.403 0.684 197 HG1 THR 36 HG1 THR 36 5.677 -7.684 -1.365 198 HG21 THR 36 1HG2 THR 36 3.214 -5.930 0.170 199 HG22 THR 36 2HG2 THR 36 3.478 -6.988 -1.237 200 HG23 THR 36 3HG2 THR 36 2.689 -7.630 0.223 201 H CYS 37 H CYS 37 6.405 -4.989 -0.194 202 HA CYS 37 HA CYS 37 4.904 -2.625 0.671 203 HB3 CYS 37 2HB CYS 37 7.355 -2.623 1.260 204 H ASP 38 H ASP 38 3.630 -4.188 -1.123 205 HA ASP 38 HA ASP 38 4.203 -2.852 -3.646 206 HB3 ASP 38 2HB ASP 38 3.014 -5.143 -4.507 207 HD2 ASP 38 HD ASP 38 5.982 -3.514 -4.960 208 H CYS 39 H CYS 39 2.487 -1.406 -2.435 209 HA CYS 39 HA CYS 39 0.441 -0.600 -2.435 210 HB3 CYS 39 2HB CYS 39 0.419 -1.904 -4.751 211 HA PRO 40 HA PRO 40 -0.494 -4.123 0.516 212 HB3 PRO 40 2HB PRO 40 1.517 -4.858 1.363 213 HG3 PRO 40 2HG PRO 40 3.335 -3.559 0.791 214 HD3 PRO 40 2HD PRO 40 2.551 -2.586 -1.139 215 H ARG 41 H ARG 41 -1.982 -1.996 -0.021 216 HA ARG 41 HA ARG 41 -3.114 -1.540 2.477 217 HB3 ARG 41 2HB ARG 41 -1.678 0.861 1.234 218 HG3 ARG 41 2HG ARG 41 -4.030 0.838 2.766 219 HD3 ARG 41 2HD ARG 41 -1.632 1.528 4.535 220 HE ARG 41 HE ARG 41 -3.484 2.994 5.114 221 HH11 ARG 41 2HH2 ARG 41 -4.213 -0.452 5.498 222 HH12 ARG 41 1HH2 ARG 41 -5.569 -0.177 6.541 223 HH22 ARG 41 1HH ARG 41 -6.174 2.071 7.109 224 H ASN 42 H ASN 42 -5.101 -2.049 1.498 225 HA ASN 42 HA ASN 42 -6.457 -0.042 0.209 226 HB3 ASN 42 2HB ASN 42 -5.301 -0.367 -1.849 227 HD21 ASN 42 1HD2 ASN 42 -4.284 -2.307 0.179 228 HD22 ASN 42 2HD2 ASN 42 -3.653 -3.653 -0.712 229 HA PRO 43 HA PRO 43 -8.571 -3.850 1.773 230 HB3 PRO 43 2HB PRO 43 -8.072 -3.783 4.020 231 HG3 PRO 43 2HG PRO 43 -7.029 -1.847 4.717 232 HD3 PRO 43 2HD PRO 43 -6.086 -1.156 2.738 233 H HIS 44 H HIS 44 -9.298 -1.847 -0.144 234 HA HIS 44 HA HIS 44 -11.983 -1.154 0.647 235 HB3 HIS 44 2HB HIS 44 -11.967 0.344 -1.077 236 HD1 HIS 44 HD1 HIS 44 -9.204 -0.558 0.978 237 HD2 HIS 44 HD2 HIS 44 -9.693 2.072 -2.252 238 HE1 HIS 44 HE1 HIS 44 -7.268 1.099 1.106 239 H LYS 45 H LYS 45 -12.522 -1.476 -2.483 240 HA LYS 45 HA LYS 45 -14.311 -3.351 -2.570 241 HB3 LYS 45 2HB LYS 45 -13.449 -3.950 -4.914 242 HG3 LYS 45 2HG LYS 45 -13.437 -1.028 -4.953 243 HD3 LYS 45 2HD LYS 45 -14.981 -3.317 -6.028 244 HE3 LYS 45 2HE LYS 45 -16.373 -0.923 -4.910 245 HZ1 LYS 45 1HZ LYS 45 -17.375 -0.307 -6.811 246 HZ2 LYS 45 2HZ LYS 45 -16.287 -1.177 -7.655 247 H GLY 46 H GLY 46 -11.197 -4.601 -3.849 248 HA2 GLY 46 1HA GLY 46 -11.324 -6.818 -1.920 249 HA3 GLY 46 2HA GLY 46 -11.363 -7.167 -3.637 250 HA PRO 47 HA PRO 47 -7.138 -5.312 -3.477 251 HB3 PRO 47 2HB PRO 47 -7.183 -3.033 -3.803 252 HG3 PRO 47 2HG PRO 47 -9.087 -1.986 -3.030 253 HD3 PRO 47 2HD PRO 47 -10.567 -3.745 -3.075 254 H ALA 48 H ALA 48 -5.266 -4.196 -1.688 255 HA ALA 48 HA ALA 48 -4.656 -4.502 0.571 256 HB1 ALA 48 1HB ALA 48 -6.790 -5.748 1.061 257 HB2 ALA 48 2HB ALA 48 -6.041 -7.203 0.359 258 HB3 ALA 48 3HB ALA 48 -5.345 -6.460 1.818 259 H THR 49 H THR 49 -2.493 -4.861 0.624 260 HA THR 49 HA THR 49 -1.431 -7.309 -0.488 261 HB THR 49 HB THR 49 -0.741 -4.548 -1.624 262 HG1 THR 49 HG1 THR 49 -2.031 -7.025 -2.509 263 HG21 THR 49 1HG2 THR 49 1.303 -5.746 -1.822 264 HG22 THR 49 2HG2 THR 49 0.474 -7.316 -1.952 265 HG23 THR 49 3HG2 THR 49 0.459 -6.183 -3.326 Start of MODEL 4 1 H2 GLU 1 1H GLU 1 8.164 -2.585 -5.351 2 HA GLU 1 HA GLU 1 7.693 -3.697 -2.709 3 HB3 GLU 1 2HB GLU 1 6.305 -5.116 -3.990 4 HG3 GLU 1 2HG GLU 1 8.105 -4.353 -6.158 5 HE2 GLU 1 HE GLU 1 7.500 -8.234 -6.829 6 H CYS 2 H CYS 2 9.769 -2.685 -2.193 7 HA CYS 2 HA CYS 2 12.074 -2.719 -3.452 8 HB3 CYS 2 2HB CYS 2 12.179 -3.741 -0.648 9 H GLU 3 H GLU 3 11.311 -5.451 -1.165 10 HA GLU 3 HA GLU 3 12.070 -7.330 -3.188 11 HB3 GLU 3 2HB GLU 3 13.650 -8.337 -1.201 12 HG3 GLU 3 2HG GLU 3 14.046 -6.870 -3.705 13 HE2 GLU 3 HE GLU 3 16.831 -7.606 -3.286 14 H SER 4 H SER 4 9.600 -6.699 -1.819 15 HA SER 4 HA SER 4 7.930 -7.999 -1.167 16 HB3 SER 4 2HB SER 4 9.594 -10.084 0.202 17 HG SER 4 HG SER 4 7.935 -11.365 -0.392 18 H GLY 5 H GLY 5 9.216 -5.844 0.260 19 HA2 GLY 5 1HA GLY 5 8.641 -6.651 3.048 20 HA3 GLY 5 2HA GLY 5 9.986 -5.610 2.625 21 HA PRO 6 HA PRO 6 5.836 -3.323 2.677 22 HB3 PRO 6 2HB PRO 6 4.247 -4.422 3.930 23 HG3 PRO 6 2HG PRO 6 5.055 -6.182 5.181 24 HD3 PRO 6 2HD PRO 6 6.940 -6.709 3.975 25 H CYS 7 H CYS 7 5.685 -1.117 3.012 26 HA CYS 7 HA CYS 7 6.169 0.769 4.195 27 HB3 CYS 7 2HB CYS 7 8.007 0.929 5.796 28 H CYS 8 H CYS 8 6.539 0.577 1.611 29 HA CYS 8 HA CYS 8 8.733 2.150 1.034 30 HB3 CYS 8 2HB CYS 8 10.370 0.606 1.126 31 H ARG 9 H ARG 9 6.982 3.236 -0.046 32 HA ARG 9 HA ARG 9 5.079 2.232 -1.575 33 HB3 ARG 9 2HB ARG 9 4.744 4.432 -2.086 34 HG3 ARG 9 2HG ARG 9 6.220 4.552 0.059 35 HD3 ARG 9 2HD ARG 9 8.191 5.499 -2.078 36 HE ARG 9 HE ARG 9 8.107 6.055 0.845 37 HH11 ARG 9 2HH2 ARG 9 9.861 6.295 -2.223 38 HH12 ARG 9 1HH2 ARG 9 10.969 7.491 -1.640 39 HH22 ARG 9 1HH ARG 9 10.778 8.264 0.620 40 H ASN 10 H ASN 10 8.529 2.237 -2.279 41 HA ASN 10 HA ASN 10 7.950 0.792 -4.709 42 HB3 ASN 10 2HB ASN 10 8.393 3.205 -5.356 43 HD21 ASN 10 1HD2 ASN 10 8.963 4.444 -3.514 44 HD22 ASN 10 2HD2 ASN 10 10.613 4.831 -3.155 45 H CYS 11 H CYS 11 10.406 2.135 -2.396 46 HA CYS 11 HA CYS 11 11.421 -0.328 -1.685 47 HB3 CYS 11 2HB CYS 11 13.204 1.048 -3.703 48 H LYS 12 H LYS 12 10.564 1.910 -0.311 49 HA LYS 12 HA LYS 12 13.001 2.710 1.009 50 HB3 LYS 12 2HB LYS 12 11.193 4.972 0.259 51 HG3 LYS 12 2HG LYS 12 13.200 5.098 1.871 52 HD3 LYS 12 2HD LYS 12 14.552 3.636 0.034 53 HE3 LYS 12 2HE LYS 12 15.053 6.562 -0.672 54 HZ1 LYS 12 1HZ LYS 12 17.146 5.964 -1.160 55 HZ2 LYS 12 2HZ LYS 12 16.918 4.478 -0.536 56 H PHE 13 H PHE 13 9.843 4.389 1.130 57 HA PHE 13 HA PHE 13 8.492 2.863 2.913 58 HB3 PHE 13 2HB PHE 13 10.051 4.985 4.452 59 HD1 PHE 13 HD1 PHE 13 7.220 3.853 4.808 60 HD2 PHE 13 HD2 PHE 13 10.984 2.697 6.388 61 HE1 PHE 13 HE1 PHE 13 6.076 2.870 6.813 62 HE2 PHE 13 HE2 PHE 13 9.841 1.713 8.393 63 HZ PHE 13 HZ PHE 13 7.401 1.812 8.582 64 H LEU 14 H LEU 14 6.678 3.796 1.966 65 HA LEU 14 HA LEU 14 6.275 6.353 1.238 66 HB3 LEU 14 2HB LEU 14 4.492 5.181 0.622 67 HG LEU 14 HG LEU 14 3.311 3.518 2.263 68 HD11 LEU 14 1HD1 LEU 14 5.879 2.373 1.310 69 HD12 LEU 14 2HD1 LEU 14 4.204 1.839 1.037 70 HD13 LEU 14 3HD1 LEU 14 4.869 3.198 0.100 71 HD21 LEU 14 1HD2 LEU 14 4.277 3.072 4.207 72 HD22 LEU 14 2HD2 LEU 14 5.799 2.641 3.391 73 HD23 LEU 14 3HD2 LEU 14 5.493 4.328 3.871 74 H LYS 15 H LYS 15 4.214 5.657 4.003 75 HA LYS 15 HA LYS 15 5.644 7.058 5.950 76 HB3 LYS 15 2HB LYS 15 5.360 8.996 4.494 77 HG3 LYS 15 2HG LYS 15 2.373 8.437 4.817 78 HD3 LYS 15 2HD LYS 15 3.775 10.905 4.441 79 HE3 LYS 15 2HE LYS 15 3.344 9.674 1.921 80 HZ1 LYS 15 1HZ LYS 15 0.947 10.683 2.607 81 HZ2 LYS 15 2HZ LYS 15 1.600 11.987 1.881 82 H GLU 16 H GLU 16 3.988 4.651 5.433 83 HA GLU 16 HA GLU 16 2.379 3.492 6.329 84 HB3 GLU 16 2HB GLU 16 1.872 3.984 8.792 85 HG3 GLU 16 2HG GLU 16 4.781 3.860 7.866 86 HE2 GLU 16 HE GLU 16 3.985 2.687 11.606 87 H GLY 17 H GLY 17 0.403 3.618 5.346 88 HA2 GLY 17 1HA GLY 17 -1.890 4.338 5.884 89 HA3 GLY 17 2HA GLY 17 -1.271 5.974 5.987 90 H THR 18 H THR 18 0.377 4.128 3.577 91 HA THR 18 HA THR 18 -1.022 5.621 1.504 92 HB THR 18 HB THR 18 1.195 3.924 0.633 93 HG1 THR 18 HG1 THR 18 1.993 4.038 2.764 94 HG21 THR 18 1HG2 THR 18 0.298 6.690 0.434 95 HG22 THR 18 2HG2 THR 18 2.007 6.655 0.934 96 HG23 THR 18 3HG2 THR 18 1.502 5.843 -0.568 97 H ILE 19 H ILE 19 -3.035 4.318 1.915 98 HA ILE 19 HA ILE 19 -3.256 1.638 1.542 99 HB ILE 19 HB ILE 19 -5.231 2.517 2.126 100 HG13 ILE 19 2HG1 ILE 19 -6.532 1.595 0.582 101 HG21 ILE 19 1HG2 ILE 19 -6.088 4.688 0.855 102 HG22 ILE 19 2HG2 ILE 19 -4.954 4.776 2.225 103 HG23 ILE 19 3HG2 ILE 19 -4.347 4.893 0.556 104 HD11 ILE 19 1HD1 ILE 19 -5.847 4.051 -1.094 105 HD12 ILE 19 2HD1 ILE 19 -7.073 2.844 -1.548 106 HD13 ILE 19 3HD1 ILE 19 -7.287 3.819 -0.075 107 H CYS 20 H CYS 20 -3.338 0.190 -0.179 108 HA CYS 20 HA CYS 20 -1.797 0.796 -2.389 109 HB3 CYS 20 2HB CYS 20 -3.634 -1.438 -1.646 110 H LYS 21 H LYS 21 -5.019 -0.539 -3.092 111 HA LYS 21 HA LYS 21 -5.578 1.869 -4.683 112 HB3 LYS 21 2HB LYS 21 -6.742 0.379 -6.267 113 HG3 LYS 21 2HG LYS 21 -4.168 -1.042 -6.153 114 HD3 LYS 21 2HD LYS 21 -5.503 0.985 -7.989 115 HE3 LYS 21 2HE LYS 21 -2.824 0.997 -7.801 116 HZ1 LYS 21 1HZ LYS 21 -3.473 -1.433 -9.360 117 HZ2 LYS 21 2HZ LYS 21 -2.091 -0.614 -9.624 118 H ARG 22 H ARG 22 -7.463 2.933 -4.280 119 HA ARG 22 HA ARG 22 -8.909 2.180 -2.020 120 HB3 ARG 22 2HB ARG 22 -9.583 4.187 -4.231 121 HG3 ARG 22 2HG ARG 22 -11.614 4.095 -3.099 122 HD3 ARG 22 2HD ARG 22 -10.887 2.236 -1.559 123 HE ARG 22 HE ARG 22 -9.007 2.996 -0.318 124 HH11 ARG 22 2HH2 ARG 22 -11.824 5.062 0.281 125 HH12 ARG 22 1HH2 ARG 22 -11.113 5.844 1.654 126 HH22 ARG 22 1HH ARG 22 -8.905 5.222 2.347 127 H ALA 23 H ALA 23 -9.201 -0.142 -3.157 128 HA ALA 23 HA ALA 23 -10.748 -0.806 -5.175 129 HB1 ALA 23 1HB ALA 23 -10.184 -1.887 -2.537 130 HB2 ALA 23 2HB ALA 23 -11.828 -2.328 -3.058 131 HB3 ALA 23 3HB ALA 23 -10.429 -2.742 -4.078 132 H ARG 24 H ARG 24 -12.167 0.105 -1.948 133 HA ARG 24 HA ARG 24 -14.734 -0.027 -2.480 134 HB3 ARG 24 2HB ARG 24 -14.785 2.340 -1.137 135 HG3 ARG 24 2HG ARG 24 -13.925 -0.410 -0.164 136 HD3 ARG 24 2HD ARG 24 -14.455 0.450 2.154 137 HE ARG 24 HE ARG 24 -12.077 1.409 0.656 138 HH11 ARG 24 2HH2 ARG 24 -13.573 0.749 3.800 139 HH12 ARG 24 1HH2 ARG 24 -12.067 0.752 4.656 140 HH22 ARG 24 1HH ARG 24 -10.032 1.144 3.451 141 H GLY 25 H GLY 25 -12.437 2.179 -3.989 142 HA2 GLY 25 1HA GLY 25 -14.586 3.224 -5.691 143 HA3 GLY 25 2HA GLY 25 -13.576 4.368 -4.829 144 H ASP 26 H ASP 26 -11.030 3.276 -4.919 145 HA ASP 26 HA ASP 26 -10.452 2.322 -7.515 146 HB3 ASP 26 2HB ASP 26 -9.061 4.922 -7.013 147 HD2 ASP 26 HD ASP 26 -10.225 3.097 -10.292 148 H ASP 27 H ASP 27 -8.199 4.645 -6.117 149 HA ASP 27 HA ASP 27 -7.085 2.836 -4.240 150 HB3 ASP 27 2HB ASP 27 -6.252 2.156 -6.646 151 HD2 ASP 27 HD ASP 27 -3.511 3.436 -5.553 152 H MET 28 H MET 28 -5.351 3.950 -2.980 153 HA MET 28 HA MET 28 -5.438 6.824 -3.439 154 HB3 MET 28 2HB MET 28 -4.782 6.927 -0.983 155 HG3 MET 28 2HG MET 28 -6.934 5.909 -0.078 156 HE1 MET 28 1HE MET 28 -7.900 6.317 -3.626 157 HE2 MET 28 2HE MET 28 -9.362 6.571 -2.644 158 HE3 MET 28 3HE MET 28 -8.733 7.889 -3.661 159 H ASP 29 H ASP 29 -3.149 4.521 -1.794 160 HA ASP 29 HA ASP 29 -1.079 5.461 -3.568 161 HB3 ASP 29 2HB ASP 29 0.430 6.094 -1.793 162 HD2 ASP 29 HD ASP 29 0.386 8.100 -1.844 163 H ASP 30 H ASP 30 0.710 4.257 -1.160 164 HA ASP 30 HA ASP 30 -0.109 1.533 -1.184 165 HB3 ASP 30 2HB ASP 30 1.013 1.196 -3.192 166 HD2 ASP 30 HD ASP 30 2.900 2.210 -4.892 167 H TYR 31 H TYR 31 0.280 1.070 0.988 168 HA TYR 31 HA TYR 31 2.747 2.169 2.160 169 HB3 TYR 31 2HB TYR 31 -0.002 2.506 2.803 170 HD1 TYR 31 HD2 TYR 31 -0.814 -0.002 2.863 171 HD2 TYR 31 HD1 TYR 31 1.502 1.857 5.944 172 HE1 TYR 31 HE2 TYR 31 -1.601 -1.757 4.525 173 HE2 TYR 31 HE1 TYR 31 0.708 0.094 7.595 174 HH TYR 31 HH TYR 31 -1.767 -2.226 6.702 175 H CYS 32 H CYS 32 3.276 0.809 4.296 176 HA CYS 32 HA CYS 32 3.708 -1.849 3.328 177 HB3 CYS 32 2HB CYS 32 5.564 -0.944 4.397 178 H ASN 33 H ASN 33 2.164 -3.425 3.586 179 HA ASN 33 HA ASN 33 0.225 -3.032 5.692 180 HB3 ASN 33 2HB ASN 33 -0.570 -3.548 3.368 181 HD21 ASN 33 1HD2 ASN 33 -1.327 -5.999 2.500 182 HD22 ASN 33 2HD2 ASN 33 0.019 -6.898 1.882 183 H GLY 34 H GLY 34 3.159 -4.011 5.962 184 HA2 GLY 34 1HA GLY 34 4.232 -5.446 7.332 185 HA3 GLY 34 2HA GLY 34 2.684 -6.064 7.870 186 H LYS 35 H LYS 35 2.967 -6.088 4.424 187 HA LYS 35 HA LYS 35 3.984 -8.833 4.459 188 HB3 LYS 35 2HB LYS 35 1.499 -7.953 2.961 189 HG3 LYS 35 2HG LYS 35 2.754 -10.698 3.438 190 HD3 LYS 35 2HD LYS 35 0.321 -9.807 1.818 191 HE3 LYS 35 2HE LYS 35 1.873 -11.715 0.887 192 HZ1 LYS 35 1HZ LYS 35 0.779 -13.814 2.154 193 HZ2 LYS 35 2HZ LYS 35 2.258 -13.234 2.515 194 H THR 36 H THR 36 3.075 -5.917 2.520 195 HA THR 36 HA THR 36 5.566 -6.228 1.053 196 HB THR 36 HB THR 36 2.991 -5.863 -0.514 197 HG1 THR 36 HG1 THR 36 4.363 -8.366 0.140 198 HG21 THR 36 1HG2 THR 36 4.596 -5.859 -2.162 199 HG22 THR 36 2HG2 THR 36 5.848 -6.460 -1.048 200 HG23 THR 36 3HG2 THR 36 4.735 -7.603 -1.836 201 H CYS 37 H CYS 37 5.541 -4.261 -0.701 202 HA CYS 37 HA CYS 37 4.420 -1.940 0.656 203 HB3 CYS 37 2HB CYS 37 6.724 -2.220 1.485 204 H ASP 38 H ASP 38 3.143 -2.946 -1.474 205 HA ASP 38 HA ASP 38 3.992 -1.168 -3.600 206 HB3 ASP 38 2HB ASP 38 2.943 -3.973 -4.152 207 HD2 ASP 38 HD ASP 38 4.966 -1.440 -6.202 208 H CYS 39 H CYS 39 2.032 -0.474 -1.799 209 HA CYS 39 HA CYS 39 -0.006 0.473 -2.112 210 HB3 CYS 39 2HB CYS 39 0.093 -0.479 -4.548 211 HA PRO 40 HA PRO 40 -0.920 -3.474 0.300 212 HB3 PRO 40 2HB PRO 40 1.065 -4.486 0.883 213 HG3 PRO 40 2HG PRO 40 2.950 -3.234 0.438 214 HD3 PRO 40 2HD PRO 40 2.154 -1.879 -1.240 215 H ARG 41 H ARG 41 -2.536 -1.577 0.327 216 HA ARG 41 HA ARG 41 -3.198 -1.304 3.017 217 HB3 ARG 41 2HB ARG 41 -2.236 1.258 1.644 218 HG3 ARG 41 2HG ARG 41 -3.660 0.674 4.252 219 HD3 ARG 41 2HD ARG 41 -2.536 3.378 4.102 220 HE ARG 41 HE ARG 41 -1.867 1.583 6.325 221 HH11 ARG 41 2HH2 ARG 41 -4.388 3.634 4.912 222 HH12 ARG 41 1HH2 ARG 41 -5.229 3.846 6.411 223 HH22 ARG 41 1HH ARG 41 -4.382 2.795 8.392 224 H ASN 42 H ASN 42 -4.362 -2.198 0.500 225 HA ASN 42 HA ASN 42 -6.379 -0.135 0.093 226 HB3 ASN 42 2HB ASN 42 -5.553 -0.560 -2.065 227 HD21 ASN 42 1HD2 ASN 42 -4.367 -2.441 0.167 228 HD22 ASN 42 2HD2 ASN 42 -3.533 -3.661 -0.736 229 HA PRO 43 HA PRO 43 -8.230 -3.833 2.165 230 HB3 PRO 43 2HB PRO 43 -7.516 -3.563 4.338 231 HG3 PRO 43 2HG PRO 43 -6.465 -1.555 4.764 232 HD3 PRO 43 2HD PRO 43 -5.738 -1.018 2.650 233 H HIS 44 H HIS 44 -9.282 -2.456 0.079 234 HA HIS 44 HA HIS 44 -11.928 -1.765 1.121 235 HB3 HIS 44 2HB HIS 44 -12.044 -0.082 -0.352 236 HD1 HIS 44 HD1 HIS 44 -9.462 -0.334 1.540 237 HD2 HIS 44 HD2 HIS 44 -9.495 0.822 -2.492 238 HE1 HIS 44 HE1 HIS 44 -7.342 1.037 1.172 239 H LYS 45 H LYS 45 -12.997 -1.969 -1.707 240 HA LYS 45 HA LYS 45 -14.461 -3.939 -1.963 241 HB3 LYS 45 2HB LYS 45 -13.751 -4.448 -4.294 242 HG3 LYS 45 2HG LYS 45 -13.572 -1.880 -4.947 243 HD3 LYS 45 2HD LYS 45 -15.997 -2.780 -3.334 244 HE3 LYS 45 2HE LYS 45 -15.707 -1.105 -5.876 245 HZ1 LYS 45 1HZ LYS 45 -17.990 -1.013 -5.872 246 HZ2 LYS 45 2HZ LYS 45 -17.844 -2.507 -5.241 247 H GLY 46 H GLY 46 -11.069 -4.885 -2.846 248 HA2 GLY 46 1HA GLY 46 -10.919 -6.968 -0.931 249 HA3 GLY 46 2HA GLY 46 -11.443 -7.610 -2.475 250 HA PRO 47 HA PRO 47 -7.326 -5.837 -3.718 251 HB3 PRO 47 2HB PRO 47 -7.360 -3.558 -4.048 252 HG3 PRO 47 2HG PRO 47 -8.902 -2.422 -2.762 253 HD3 PRO 47 2HD PRO 47 -10.408 -4.109 -2.345 254 H ALA 48 H ALA 48 -5.805 -4.116 -1.312 255 HA ALA 48 HA ALA 48 -4.572 -4.717 0.458 256 HB1 ALA 48 1HB ALA 48 -4.981 -6.659 1.625 257 HB2 ALA 48 2HB ALA 48 -6.446 -6.631 0.615 258 HB3 ALA 48 3HB ALA 48 -5.067 -7.656 0.153 259 H THR 49 H THR 49 -2.373 -4.733 0.317 260 HA THR 49 HA THR 49 -1.120 -6.630 -1.511 261 HB THR 49 HB THR 49 -1.287 -3.640 -1.833 262 HG1 THR 49 HG1 THR 49 -2.183 -4.824 -3.517 263 HG21 THR 49 1HG2 THR 49 0.893 -4.320 -3.400 264 HG22 THR 49 2HG2 THR 49 1.015 -3.442 -1.857 265 HG23 THR 49 3HG2 THR 49 1.253 -5.205 -1.898 Start of MODEL 5 1 H2 GLU 1 1H GLU 1 7.880 -2.621 -3.889 2 HA GLU 1 HA GLU 1 8.226 -4.465 -2.396 3 HB3 GLU 1 2HB GLU 1 8.896 -6.232 -4.742 4 HG3 GLU 1 2HG GLU 1 7.976 -6.550 -1.867 5 HE2 GLU 1 HE GLU 1 8.638 -9.350 -1.983 6 H CYS 2 H CYS 2 10.076 -3.450 -1.686 7 HA CYS 2 HA CYS 2 12.153 -2.738 -3.447 8 HB3 CYS 2 2HB CYS 2 12.523 -2.995 -0.480 9 H GLU 3 H GLU 3 11.693 -5.329 -0.944 10 HA GLU 3 HA GLU 3 13.188 -7.149 -2.464 11 HB3 GLU 3 2HB GLU 3 14.697 -7.073 0.000 12 HG3 GLU 3 2HG GLU 3 16.478 -6.354 -1.914 13 HE2 GLU 3 HE GLU 3 17.808 -8.774 -2.144 14 H SER 4 H SER 4 11.202 -6.124 0.149 15 HA SER 4 HA SER 4 9.864 -8.397 0.455 16 HB3 SER 4 2HB SER 4 12.390 -8.469 2.102 17 HG SER 4 HG SER 4 10.636 -8.560 3.662 18 H GLY 5 H GLY 5 11.302 -5.494 1.810 19 HA2 GLY 5 1HA GLY 5 9.662 -5.253 4.121 20 HA3 GLY 5 2HA GLY 5 10.606 -3.996 3.345 21 HA PRO 6 HA PRO 6 6.063 -3.994 1.950 22 HB3 PRO 6 2HB PRO 6 4.697 -5.326 3.238 23 HG3 PRO 6 2HG PRO 6 5.662 -6.096 5.187 24 HD3 PRO 6 2HD PRO 6 7.885 -5.980 4.615 25 H CYS 7 H CYS 7 7.456 -2.350 4.663 26 HA CYS 7 HA CYS 7 5.925 0.007 4.213 27 HB3 CYS 7 2HB CYS 7 7.699 0.993 5.786 28 H CYS 8 H CYS 8 6.510 -0.158 1.758 29 HA CYS 8 HA CYS 8 8.443 1.824 1.232 30 HB3 CYS 8 2HB CYS 8 9.999 -0.038 1.552 31 H ARG 9 H ARG 9 6.221 2.509 0.478 32 HA ARG 9 HA ARG 9 4.490 1.511 -1.069 33 HB3 ARG 9 2HB ARG 9 4.796 3.986 -0.637 34 HG3 ARG 9 2HG ARG 9 5.985 5.275 -2.469 35 HD3 ARG 9 2HD ARG 9 8.345 3.955 -1.634 36 HE ARG 9 HE ARG 9 7.652 5.897 0.264 37 HH11 ARG 9 2HH2 ARG 9 7.622 5.687 -3.273 38 HH12 ARG 9 1HH2 ARG 9 7.863 7.387 -3.499 39 HH22 ARG 9 1HH ARG 9 8.065 8.811 -1.582 40 H ASN 10 H ASN 10 7.756 2.428 -2.355 41 HA ASN 10 HA ASN 10 7.205 0.618 -4.573 42 HB3 ASN 10 2HB ASN 10 7.405 2.494 -5.893 43 HD21 ASN 10 1HD2 ASN 10 9.880 3.317 -3.477 44 HD22 ASN 10 2HD2 ASN 10 9.266 4.879 -3.052 45 H CYS 11 H CYS 11 9.576 2.233 -2.379 46 HA CYS 11 HA CYS 11 11.009 -0.007 -1.795 47 HB3 CYS 11 2HB CYS 11 12.331 1.501 -4.061 48 H LYS 12 H LYS 12 9.925 2.426 -0.654 49 HA LYS 12 HA LYS 12 12.120 3.231 0.898 50 HB3 LYS 12 2HB LYS 12 12.832 4.520 -1.002 51 HG3 LYS 12 2HG LYS 12 9.914 5.123 -1.199 52 HD3 LYS 12 2HD LYS 12 11.204 7.338 -0.569 53 HE3 LYS 12 2HE LYS 12 11.898 7.142 -3.531 54 HZ1 LYS 12 1HZ LYS 12 12.773 9.021 -1.401 55 HZ2 LYS 12 2HZ LYS 12 13.186 9.109 -2.973 56 H PHE 13 H PHE 13 10.518 2.417 2.407 57 HA PHE 13 HA PHE 13 8.121 2.692 2.981 58 HB3 PHE 13 2HB PHE 13 10.070 4.303 4.727 59 HD1 PHE 13 HD1 PHE 13 6.815 3.092 4.332 60 HD2 PHE 13 HD2 PHE 13 9.908 3.398 7.221 61 HE1 PHE 13 HE1 PHE 13 5.121 2.860 6.170 62 HE2 PHE 13 HE2 PHE 13 8.215 3.166 9.058 63 HZ PHE 13 HZ PHE 13 5.842 2.900 8.511 64 H LEU 14 H LEU 14 6.416 4.004 2.551 65 HA LEU 14 HA LEU 14 6.936 6.771 1.932 66 HB3 LEU 14 2HB LEU 14 4.282 5.346 1.961 67 HG LEU 14 HG LEU 14 3.493 7.234 1.100 68 HD11 LEU 14 1HD1 LEU 14 6.344 8.241 0.892 69 HD12 LEU 14 2HD1 LEU 14 4.874 9.226 0.695 70 HD13 LEU 14 3HD1 LEU 14 5.234 8.469 2.265 71 HD21 LEU 14 1HD2 LEU 14 5.417 6.512 -1.107 72 HD22 LEU 14 2HD2 LEU 14 3.654 6.282 -1.033 73 HD23 LEU 14 3HD2 LEU 14 4.330 7.917 -1.224 74 H LYS 15 H LYS 15 4.137 5.460 3.784 75 HA LYS 15 HA LYS 15 4.899 6.441 6.269 76 HB3 LYS 15 2HB LYS 15 4.830 8.647 5.151 77 HG3 LYS 15 2HG LYS 15 1.867 8.700 5.081 78 HD3 LYS 15 2HD LYS 15 3.131 9.458 2.612 79 HE3 LYS 15 2HE LYS 15 1.129 10.534 3.669 80 HZ1 LYS 15 1HZ LYS 15 2.634 10.625 5.918 81 HZ2 LYS 15 2HZ LYS 15 2.728 12.173 5.422 82 H GLU 16 H GLU 16 4.028 4.275 6.576 83 HA GLU 16 HA GLU 16 2.138 2.872 6.166 84 HB3 GLU 16 2HB GLU 16 1.110 3.131 8.623 85 HG3 GLU 16 2HG GLU 16 4.056 2.488 8.124 86 HE2 GLU 16 HE GLU 16 3.172 -0.077 9.945 87 H GLY 17 H GLY 17 0.347 3.130 4.897 88 HA2 GLY 17 1HA GLY 17 -2.058 3.725 5.263 89 HA3 GLY 17 2HA GLY 17 -1.485 5.353 5.569 90 H THR 18 H THR 18 0.462 3.668 3.250 91 HA THR 18 HA THR 18 -0.312 5.458 1.182 92 HB THR 18 HB THR 18 1.244 3.076 0.400 93 HG1 THR 18 HG1 THR 18 2.242 4.807 2.526 94 HG21 THR 18 1HG2 THR 18 2.434 4.700 -0.683 95 HG22 THR 18 2HG2 THR 18 1.273 5.891 -0.048 96 HG23 THR 18 3HG2 THR 18 2.765 5.534 0.855 97 H ILE 19 H ILE 19 -1.621 2.482 2.341 98 HA ILE 19 HA ILE 19 -2.921 0.927 1.367 99 HB ILE 19 HB ILE 19 -4.668 2.195 1.995 100 HG13 ILE 19 2HG1 ILE 19 -6.062 1.511 0.407 101 HG21 ILE 19 1HG2 ILE 19 -3.841 4.340 2.133 102 HG22 ILE 19 2HG2 ILE 19 -3.371 4.389 0.416 103 HG23 ILE 19 3HG2 ILE 19 -5.086 4.522 0.873 104 HD11 ILE 19 1HD1 ILE 19 -5.070 3.994 -1.061 105 HD12 ILE 19 2HD1 ILE 19 -6.438 2.998 -1.614 106 HD13 ILE 19 3HD1 ILE 19 -6.531 3.850 -0.055 107 H CYS 20 H CYS 20 -3.385 -0.314 -0.488 108 HA CYS 20 HA CYS 20 -1.647 0.124 -2.635 109 HB3 CYS 20 2HB CYS 20 -3.785 -1.833 -1.964 110 H LYS 21 H LYS 21 -5.139 -0.503 -3.203 111 HA LYS 21 HA LYS 21 -5.261 2.023 -4.696 112 HB3 LYS 21 2HB LYS 21 -6.726 0.785 -6.330 113 HG3 LYS 21 2HG LYS 21 -3.786 0.420 -5.933 114 HD3 LYS 21 2HD LYS 21 -4.614 -1.885 -6.619 115 HE3 LYS 21 2HE LYS 21 -6.553 -0.981 -8.017 116 HZ1 LYS 21 1HZ LYS 21 -6.078 -0.105 -10.132 117 HZ2 LYS 21 2HZ LYS 21 -4.999 0.668 -9.190 118 H ARG 22 H ARG 22 -6.896 3.348 -4.089 119 HA ARG 22 HA ARG 22 -8.484 2.619 -1.936 120 HB3 ARG 22 2HB ARG 22 -8.718 4.919 -3.938 121 HG3 ARG 22 2HG ARG 22 -10.859 4.951 -2.970 122 HD3 ARG 22 2HD ARG 22 -10.394 2.971 -1.442 123 HE ARG 22 HE ARG 22 -8.442 4.107 -0.219 124 HH11 ARG 22 2HH2 ARG 22 -11.768 4.360 0.977 125 HH12 ARG 22 1HH2 ARG 22 -11.288 4.617 2.622 126 HH22 ARG 22 1HH ARG 22 -8.955 4.663 3.171 127 H ALA 23 H ALA 23 -9.132 0.493 -3.301 128 HA ALA 23 HA ALA 23 -10.736 0.254 -5.350 129 HB1 ALA 23 1HB ALA 23 -10.781 -1.779 -4.389 130 HB2 ALA 23 2HB ALA 23 -10.445 -1.087 -2.784 131 HB3 ALA 23 3HB ALA 23 -12.122 -1.200 -3.371 132 H ARG 24 H ARG 24 -12.288 0.823 -2.110 133 HA ARG 24 HA ARG 24 -14.731 1.288 -2.694 134 HB3 ARG 24 2HB ARG 24 -14.564 3.440 -1.120 135 HG3 ARG 24 2HG ARG 24 -13.797 0.584 -0.411 136 HD3 ARG 24 2HD ARG 24 -14.177 1.233 1.983 137 HE ARG 24 HE ARG 24 -11.868 2.329 0.477 138 HH11 ARG 24 2HH2 ARG 24 -13.221 1.394 3.614 139 HH12 ARG 24 1HH2 ARG 24 -11.677 1.321 4.398 140 HH22 ARG 24 1HH ARG 24 -9.698 1.819 3.141 141 H GLY 25 H GLY 25 -12.059 3.414 -3.738 142 HA2 GLY 25 1HA GLY 25 -13.989 4.924 -5.392 143 HA3 GLY 25 2HA GLY 25 -12.720 5.729 -4.490 144 H ASP 26 H ASP 26 -10.500 4.077 -4.809 145 HA ASP 26 HA ASP 26 -10.196 3.181 -7.432 146 HB3 ASP 26 2HB ASP 26 -8.316 5.427 -7.187 147 HD2 ASP 26 HD ASP 26 -9.248 3.679 -10.256 148 H ASP 27 H ASP 27 -7.632 5.196 -6.009 149 HA ASP 27 HA ASP 27 -6.656 3.181 -4.287 150 HB3 ASP 27 2HB ASP 27 -6.000 2.540 -6.771 151 HD2 ASP 27 HD ASP 27 -2.847 4.315 -5.864 152 H MET 28 H MET 28 -5.040 4.118 -2.876 153 HA MET 28 HA MET 28 -4.733 6.968 -3.259 154 HB3 MET 28 2HB MET 28 -4.012 6.904 -0.849 155 HG3 MET 28 2HG MET 28 -6.129 5.869 0.122 156 HE1 MET 28 1HE MET 28 -6.210 7.867 0.965 157 HE2 MET 28 2HE MET 28 -5.378 9.105 -0.007 158 HE3 MET 28 3HE MET 28 -7.116 9.269 0.345 159 H ASP 29 H ASP 29 -2.634 4.242 -2.054 160 HA ASP 29 HA ASP 29 -0.579 5.093 -3.846 161 HB3 ASP 29 2HB ASP 29 1.121 5.408 -2.075 162 HD2 ASP 29 HD ASP 29 1.189 7.293 -2.889 163 H ASP 30 H ASP 30 0.932 3.667 -1.194 164 HA ASP 30 HA ASP 30 -0.043 1.048 -1.364 165 HB3 ASP 30 2HB ASP 30 1.034 0.490 -3.312 166 HD2 ASP 30 HD ASP 30 4.044 1.217 -4.001 167 H TYR 31 H TYR 31 0.273 0.633 0.835 168 HA TYR 31 HA TYR 31 2.847 1.465 1.990 169 HB3 TYR 31 2HB TYR 31 0.107 1.922 2.661 170 HD1 TYR 31 HD2 TYR 31 -0.927 -0.437 2.806 171 HD2 TYR 31 HD1 TYR 31 1.800 1.115 5.715 172 HE1 TYR 31 HE2 TYR 31 -1.734 -2.160 4.493 173 HE2 TYR 31 HE1 TYR 31 0.984 -0.614 7.392 174 HH TYR 31 HH TYR 31 -1.194 -3.176 6.423 175 H CYS 32 H CYS 32 3.549 0.030 3.894 176 HA CYS 32 HA CYS 32 3.954 -2.537 2.958 177 HB3 CYS 32 2HB CYS 32 5.551 -1.932 4.453 178 H ASN 33 H ASN 33 3.390 -4.172 5.309 179 HA ASN 33 HA ASN 33 0.897 -4.056 6.302 180 HB3 ASN 33 2HB ASN 33 0.148 -4.129 3.860 181 HD21 ASN 33 1HD2 ASN 33 -0.889 -6.672 3.037 182 HD22 ASN 33 2HD2 ASN 33 0.374 -7.542 2.233 183 H GLY 34 H GLY 34 3.555 -4.989 6.919 184 HA2 GLY 34 1HA GLY 34 4.623 -6.701 7.905 185 HA3 GLY 34 2HA GLY 34 3.058 -7.454 8.129 186 H LYS 35 H LYS 35 3.902 -6.654 4.824 187 HA LYS 35 HA LYS 35 4.991 -9.316 4.364 188 HB3 LYS 35 2HB LYS 35 2.510 -8.264 2.970 189 HG3 LYS 35 2HG LYS 35 4.530 -10.256 2.228 190 HD3 LYS 35 2HD LYS 35 1.701 -11.168 2.829 191 HE3 LYS 35 2HE LYS 35 2.778 -11.475 0.286 192 HZ1 LYS 35 1HZ LYS 35 3.170 -14.089 0.647 193 HZ2 LYS 35 2HZ LYS 35 4.402 -13.027 0.598 194 H THR 36 H THR 36 3.726 -7.666 1.603 195 HA THR 36 HA THR 36 6.444 -6.736 0.985 196 HB THR 36 HB THR 36 5.635 -8.400 -0.585 197 HG1 THR 36 HG1 THR 36 4.870 -5.800 -1.678 198 HG21 THR 36 1HG2 THR 36 3.253 -8.491 -0.309 199 HG22 THR 36 2HG2 THR 36 3.083 -6.732 -0.517 200 HG23 THR 36 3HG2 THR 36 3.474 -7.761 -1.915 201 H CYS 37 H CYS 37 6.302 -4.829 -0.758 202 HA CYS 37 HA CYS 37 4.443 -2.873 0.383 203 HB3 CYS 37 2HB CYS 37 6.743 -2.524 1.207 204 H ASP 38 H ASP 38 3.115 -3.739 -1.511 205 HA ASP 38 HA ASP 38 3.889 -2.252 -3.878 206 HB3 ASP 38 2HB ASP 38 4.485 -4.552 -4.401 207 HD2 ASP 38 HD ASP 38 1.625 -5.708 -5.247 208 H CYS 39 H CYS 39 2.146 -1.146 -2.120 209 HA CYS 39 HA CYS 39 0.151 -0.174 -2.166 210 HB3 CYS 39 2HB CYS 39 0.122 -0.933 -4.660 211 HA PRO 40 HA PRO 40 -1.016 -4.154 0.052 212 HB3 PRO 40 2HB PRO 40 0.921 -5.241 0.656 213 HG3 PRO 40 2HG PRO 40 2.854 -4.031 0.304 214 HD3 PRO 40 2HD PRO 40 2.143 -2.601 -1.351 215 H ARG 41 H ARG 41 -2.510 -2.109 0.069 216 HA ARG 41 HA ARG 41 -3.407 -1.986 2.670 217 HB3 ARG 41 2HB ARG 41 -1.939 0.540 1.753 218 HG3 ARG 41 2HG ARG 41 -3.570 -0.072 4.263 219 HD3 ARG 41 2HD ARG 41 -2.752 2.673 4.101 220 HE ARG 41 HE ARG 41 -1.599 0.748 6.053 221 HH11 ARG 41 2HH2 ARG 41 -4.161 3.065 5.267 222 HH12 ARG 41 1HH2 ARG 41 -4.696 3.218 6.907 223 HH22 ARG 41 1HH ARG 41 -3.590 1.965 8.625 224 H ASN 42 H ASN 42 -4.878 -2.612 0.596 225 HA ASN 42 HA ASN 42 -6.333 -0.168 -0.020 226 HB3 ASN 42 2HB ASN 42 -5.385 -0.621 -2.141 227 HD21 ASN 42 1HD2 ASN 42 -4.281 -2.518 -0.203 228 HD22 ASN 42 2HD2 ASN 42 -3.846 -3.949 -1.075 229 HA PRO 43 HA PRO 43 -8.837 -3.709 1.643 230 HB3 PRO 43 2HB PRO 43 -8.133 -3.851 3.830 231 HG3 PRO 43 2HG PRO 43 -6.742 -2.140 4.507 232 HD3 PRO 43 2HD PRO 43 -5.883 -1.485 2.477 233 H HIS 44 H HIS 44 -9.677 -2.131 -0.286 234 HA HIS 44 HA HIS 44 -12.114 -0.973 0.855 235 HB3 HIS 44 2HB HIS 44 -11.937 0.791 -0.525 236 HD1 HIS 44 HD1 HIS 44 -9.528 0.070 1.422 237 HD2 HIS 44 HD2 HIS 44 -9.175 1.300 -2.573 238 HE1 HIS 44 HE1 HIS 44 -7.187 1.057 1.182 239 H LYS 45 H LYS 45 -12.970 -0.806 -2.155 240 HA LYS 45 HA LYS 45 -14.876 -2.402 -2.495 241 HB3 LYS 45 2HB LYS 45 -14.196 -2.926 -4.841 242 HG3 LYS 45 2HG LYS 45 -13.323 -0.295 -5.086 243 HD3 LYS 45 2HD LYS 45 -15.305 -1.149 -6.219 244 HE3 LYS 45 2HE LYS 45 -17.438 -1.133 -4.516 245 HZ1 LYS 45 1HZ LYS 45 -16.671 -3.683 -4.324 246 HZ2 LYS 45 2HZ LYS 45 -17.306 -3.067 -5.691 247 H GLY 46 H GLY 46 -11.644 -3.918 -3.198 248 HA2 GLY 46 1HA GLY 46 -12.199 -6.167 -1.518 249 HA3 GLY 46 2HA GLY 46 -12.455 -6.537 -3.213 250 HA PRO 47 HA PRO 47 -7.995 -5.493 -3.569 251 HB3 PRO 47 2HB PRO 47 -7.709 -3.295 -4.190 252 HG3 PRO 47 2HG PRO 47 -9.334 -1.855 -3.413 253 HD3 PRO 47 2HD PRO 47 -11.071 -3.329 -3.103 254 H ALA 48 H ALA 48 -5.814 -4.461 -2.071 255 HA ALA 48 HA ALA 48 -5.247 -4.605 0.293 256 HB1 ALA 48 1HB ALA 48 -7.203 -5.848 1.007 257 HB2 ALA 48 2HB ALA 48 -6.746 -7.237 -0.009 258 HB3 ALA 48 3HB ALA 48 -5.755 -6.805 1.406 259 H THR 49 H THR 49 -3.071 -4.870 0.306 260 HA THR 49 HA THR 49 -1.976 -7.206 -1.083 261 HB THR 49 HB THR 49 -1.556 -4.277 -1.689 262 HG1 THR 49 HG1 THR 49 -1.840 -5.222 -3.728 263 HG21 THR 49 1HG2 THR 49 0.713 -4.431 -1.878 264 HG22 THR 49 2HG2 THR 49 0.652 -6.034 -1.108 265 HG23 THR 49 3HG2 THR 49 0.534 -5.893 -2.878 Start of MODEL 6 1 H2 GLU 1 1H GLU 1 12.092 -4.006 1.102 2 HA GLU 1 HA GLU 1 9.441 -2.793 1.041 3 HB3 GLU 1 2HB GLU 1 10.602 -1.166 2.160 4 HG3 GLU 1 2HG GLU 1 13.081 -2.320 0.820 5 HE2 GLU 1 HE GLU 1 14.617 0.752 1.138 6 H CYS 2 H CYS 2 12.173 -1.521 -0.820 7 HA CYS 2 HA CYS 2 11.097 -1.083 -3.126 8 HB3 CYS 2 2HB CYS 2 13.688 -2.628 -3.069 9 H GLU 3 H GLU 3 12.364 -4.383 -2.243 10 HA GLU 3 HA GLU 3 10.151 -5.639 -3.410 11 HB3 GLU 3 2HB GLU 3 12.736 -6.104 -4.943 12 HG3 GLU 3 2HG GLU 3 11.123 -6.995 -6.646 13 HE2 GLU 3 HE GLU 3 12.546 -8.912 -5.938 14 H SER 4 H SER 4 10.489 -6.257 -1.052 15 HA SER 4 HA SER 4 11.447 -8.828 -0.915 16 HB3 SER 4 2HB SER 4 13.389 -6.707 0.039 17 HG SER 4 HG SER 4 14.359 -8.155 1.420 18 H GLY 5 H GLY 5 10.746 -5.710 0.687 19 HA2 GLY 5 1HA GLY 5 9.211 -7.178 2.727 20 HA3 GLY 5 2HA GLY 5 10.373 -5.961 3.218 21 HA PRO 6 HA PRO 6 6.313 -4.032 2.023 22 HB3 PRO 6 2HB PRO 6 4.712 -5.085 3.300 23 HG3 PRO 6 2HG PRO 6 5.548 -6.517 4.903 24 HD3 PRO 6 2HD PRO 6 7.592 -7.016 3.978 25 H CYS 7 H CYS 7 5.304 -1.878 2.909 26 HA CYS 7 HA CYS 7 5.656 0.116 3.874 27 HB3 CYS 7 2HB CYS 7 8.399 0.304 4.490 28 H CYS 8 H CYS 8 5.357 0.202 1.364 29 HA CYS 8 HA CYS 8 6.962 2.137 0.320 30 HB3 CYS 8 2HB CYS 8 8.437 -0.198 0.310 31 H ARG 9 H ARG 9 6.075 2.821 -1.725 32 HA ARG 9 HA ARG 9 3.639 1.413 -2.353 33 HB3 ARG 9 2HB ARG 9 2.806 3.493 -2.780 34 HG3 ARG 9 2HG ARG 9 4.762 3.929 -1.003 35 HD3 ARG 9 2HD ARG 9 5.608 5.703 -3.338 36 HE ARG 9 HE ARG 9 6.458 5.463 -0.512 37 HH11 ARG 9 2HH2 ARG 9 7.156 6.783 -3.725 38 HH12 ARG 9 1HH2 ARG 9 8.246 7.991 -3.129 39 HH22 ARG 9 1HH ARG 9 8.665 8.133 -0.774 40 H ASN 10 H ASN 10 6.822 1.244 -3.277 41 HA ASN 10 HA ASN 10 6.329 -0.233 -5.525 42 HB3 ASN 10 2HB ASN 10 5.734 2.064 -6.496 43 HD21 ASN 10 1HD2 ASN 10 6.699 3.343 -4.541 44 HD22 ASN 10 2HD2 ASN 10 8.040 4.375 -4.915 45 H CYS 11 H CYS 11 8.420 2.052 -3.727 46 HA CYS 11 HA CYS 11 10.379 0.428 -3.026 47 HB3 CYS 11 2HB CYS 11 10.830 1.216 -5.887 48 H LYS 12 H LYS 12 9.974 2.170 -1.433 49 HA LYS 12 HA LYS 12 11.940 4.022 -1.242 50 HB3 LYS 12 2HB LYS 12 9.697 5.773 -1.979 51 HG3 LYS 12 2HG LYS 12 12.197 6.311 -1.412 52 HD3 LYS 12 2HD LYS 12 12.950 4.561 -3.212 53 HE3 LYS 12 2HE LYS 12 11.416 6.149 -4.893 54 HZ1 LYS 12 1HZ LYS 12 12.756 7.941 -5.269 55 HZ2 LYS 12 2HZ LYS 12 14.130 7.199 -4.806 56 H PHE 13 H PHE 13 8.597 3.019 -0.681 57 HA PHE 13 HA PHE 13 7.461 2.823 1.207 58 HB3 PHE 13 2HB PHE 13 10.042 3.984 2.415 59 HD1 PHE 13 HD1 PHE 13 6.661 2.781 3.090 60 HD2 PHE 13 HD2 PHE 13 10.421 3.732 4.809 61 HE1 PHE 13 HE1 PHE 13 5.616 2.787 5.372 62 HE2 PHE 13 HE2 PHE 13 9.377 3.740 7.091 63 HZ PHE 13 HZ PHE 13 6.986 3.268 7.345 64 H LEU 14 H LEU 14 5.765 4.119 1.753 65 HA LEU 14 HA LEU 14 6.108 6.964 1.414 66 HB3 LEU 14 2HB LEU 14 3.529 5.789 2.290 67 HG LEU 14 HG LEU 14 2.577 7.141 0.519 68 HD11 LEU 14 1HD1 LEU 14 2.653 8.412 2.435 69 HD12 LEU 14 2HD1 LEU 14 4.432 8.448 2.478 70 HD13 LEU 14 3HD1 LEU 14 3.550 9.447 1.298 71 HD21 LEU 14 1HD2 LEU 14 3.876 7.313 -1.313 72 HD22 LEU 14 2HD2 LEU 14 4.434 8.808 -0.524 73 HD23 LEU 14 3HD2 LEU 14 5.391 7.313 -0.380 74 H LYS 15 H LYS 15 4.146 5.263 3.917 75 HA LYS 15 HA LYS 15 5.782 5.931 6.074 76 HB3 LYS 15 2HB LYS 15 5.236 8.255 5.424 77 HG3 LYS 15 2HG LYS 15 2.411 7.791 6.385 78 HD3 LYS 15 2HD LYS 15 3.032 9.647 4.151 79 HE3 LYS 15 2HE LYS 15 1.802 10.218 6.880 80 HZ1 LYS 15 1HZ LYS 15 2.343 11.932 4.957 81 HZ2 LYS 15 2HZ LYS 15 0.930 11.399 4.348 82 H GLU 16 H GLU 16 5.297 4.065 7.120 83 HA GLU 16 HA GLU 16 3.579 2.317 7.113 84 HB3 GLU 16 2HB GLU 16 3.106 2.747 9.758 85 HG3 GLU 16 2HG GLU 16 5.839 2.101 8.554 86 HE2 GLU 16 HE GLU 16 5.554 0.248 11.940 87 H GLY 17 H GLY 17 1.729 2.879 5.806 88 HA2 GLY 17 1HA GLY 17 -0.668 3.178 7.132 89 HA3 GLY 17 2HA GLY 17 -0.189 4.801 6.677 90 H THR 18 H THR 18 0.894 4.751 4.239 91 HA THR 18 HA THR 18 -0.392 4.978 2.236 92 HB THR 18 HB THR 18 0.607 2.614 1.192 93 HG1 THR 18 HG1 THR 18 1.512 3.192 3.860 94 HG21 THR 18 1HG2 THR 18 1.570 5.351 1.554 95 HG22 THR 18 2HG2 THR 18 2.913 4.198 1.741 96 HG23 THR 18 3HG2 THR 18 1.948 4.205 0.246 97 H ILE 19 H ILE 19 -0.980 2.527 0.653 98 HA ILE 19 HA ILE 19 -2.937 0.997 1.882 99 HB ILE 19 HB ILE 19 -4.527 2.521 2.213 100 HG13 ILE 19 2HG1 ILE 19 -5.779 1.380 0.665 101 HG21 ILE 19 1HG2 ILE 19 -3.150 4.240 0.142 102 HG22 ILE 19 2HG2 ILE 19 -4.677 4.696 0.934 103 HG23 ILE 19 3HG2 ILE 19 -3.205 4.462 1.907 104 HD11 ILE 19 1HD1 ILE 19 -7.135 3.000 -0.194 105 HD12 ILE 19 2HD1 ILE 19 -6.002 4.144 0.564 106 HD13 ILE 19 3HD1 ILE 19 -5.816 3.714 -1.153 107 H CYS 20 H CYS 20 -2.191 -0.705 0.672 108 HA CYS 20 HA CYS 20 -1.118 -1.252 -1.446 109 HB3 CYS 20 2HB CYS 20 -3.811 -2.186 -0.665 110 H LYS 21 H LYS 21 -4.562 -0.713 -2.361 111 HA LYS 21 HA LYS 21 -3.920 1.546 -4.000 112 HB3 LYS 21 2HB LYS 21 -4.739 0.316 -6.104 113 HG3 LYS 21 2HG LYS 21 -2.088 -0.830 -5.308 114 HD3 LYS 21 2HD LYS 21 -2.090 1.148 -7.438 115 HE3 LYS 21 2HE LYS 21 -1.308 -1.654 -6.942 116 HZ1 LYS 21 1HZ LYS 21 -1.349 -2.168 -9.365 117 HZ2 LYS 21 2HZ LYS 21 -2.846 -2.117 -8.725 118 H ARG 22 H ARG 22 -5.525 2.605 -2.789 119 HA ARG 22 HA ARG 22 -7.841 1.751 -1.920 120 HB3 ARG 22 2HB ARG 22 -6.966 4.356 -3.131 121 HG3 ARG 22 2HG ARG 22 -9.449 3.828 -3.842 122 HD3 ARG 22 2HD ARG 22 -10.308 2.981 -1.724 123 HE ARG 22 HE ARG 22 -8.862 4.030 -0.066 124 HH11 ARG 22 2HH2 ARG 22 -11.371 6.173 -1.357 125 HH12 ARG 22 1HH2 ARG 22 -11.266 7.293 -0.041 126 HH22 ARG 22 1HH ARG 22 -9.702 6.883 1.728 127 H ALA 23 H ALA 23 -8.821 0.064 -3.174 128 HA ALA 23 HA ALA 23 -9.464 0.498 -5.922 129 HB1 ALA 23 1HB ALA 23 -10.319 -1.718 -5.834 130 HB2 ALA 23 2HB ALA 23 -8.934 -1.715 -4.718 131 HB3 ALA 23 3HB ALA 23 -10.592 -1.630 -4.078 132 H ARG 24 H ARG 24 -11.020 0.984 -2.766 133 HA ARG 24 HA ARG 24 -13.584 0.922 -3.185 134 HB3 ARG 24 2HB ARG 24 -12.870 3.602 -2.145 135 HG3 ARG 24 2HG ARG 24 -14.065 1.056 -0.959 136 HD3 ARG 24 2HD ARG 24 -14.619 2.375 1.023 137 HE ARG 24 HE ARG 24 -11.912 1.821 0.355 138 HH11 ARG 24 2HH2 ARG 24 -13.718 3.905 2.580 139 HH12 ARG 24 1HH2 ARG 24 -12.455 3.946 3.764 140 HH22 ARG 24 1HH ARG 24 -10.422 2.745 3.354 141 H GLY 25 H GLY 25 -11.558 3.789 -4.170 142 HA2 GLY 25 1HA GLY 25 -13.467 4.282 -6.359 143 HA3 GLY 25 2HA GLY 25 -13.042 5.575 -5.255 144 H ASP 26 H ASP 26 -10.248 4.805 -4.821 145 HA ASP 26 HA ASP 26 -9.002 4.564 -7.330 146 HB3 ASP 26 2HB ASP 26 -7.956 7.070 -6.425 147 HD2 ASP 26 HD ASP 26 -9.054 8.776 -7.983 148 H ASP 27 H ASP 27 -7.265 3.303 -6.645 149 HA ASP 27 HA ASP 27 -6.466 2.797 -4.205 150 HB3 ASP 27 2HB ASP 27 -5.530 1.988 -6.500 151 HD2 ASP 27 HD ASP 27 -2.179 4.026 -6.622 152 H MET 28 H MET 28 -4.741 3.602 -2.733 153 HA MET 28 HA MET 28 -4.293 6.454 -3.121 154 HB3 MET 28 2HB MET 28 -3.872 6.380 -0.586 155 HG3 MET 28 2HG MET 28 -6.297 5.908 0.018 156 HE1 MET 28 1HE MET 28 -6.638 9.564 -0.172 157 HE2 MET 28 2HE MET 28 -7.343 8.067 0.483 158 HE3 MET 28 3HE MET 28 -5.594 8.366 0.628 159 H ASP 29 H ASP 29 -2.652 3.709 -1.375 160 HA ASP 29 HA ASP 29 -0.290 4.160 -2.894 161 HB3 ASP 29 2HB ASP 29 1.143 4.920 -1.169 162 HD2 ASP 29 HD ASP 29 -1.612 7.333 0.294 163 H ASP 30 H ASP 30 1.328 2.972 -0.549 164 HA ASP 30 HA ASP 30 -0.027 0.432 -0.244 165 HB3 ASP 30 2HB ASP 30 2.012 -0.809 -0.881 166 HD2 ASP 30 HD ASP 30 1.465 2.080 -2.646 167 H TYR 31 H TYR 31 -0.027 0.158 1.994 168 HA TYR 31 HA TYR 31 2.208 1.304 3.500 169 HB3 TYR 31 2HB TYR 31 -0.661 1.155 3.714 170 HD1 TYR 31 HD1 TYR 31 1.436 0.326 6.686 171 HD2 TYR 31 HD2 TYR 31 -1.863 -0.816 4.215 172 HE1 TYR 31 HE1 TYR 31 0.802 -1.482 8.357 173 HE2 TYR 31 HE2 TYR 31 -2.486 -2.621 5.893 174 HH TYR 31 HH TYR 31 -0.949 -2.795 9.005 175 H CYS 32 H CYS 32 3.816 -0.034 4.139 176 HA CYS 32 HA CYS 32 4.005 -2.655 3.674 177 HB3 CYS 32 2HB CYS 32 5.854 -1.320 4.470 178 H ASN 33 H ASN 33 2.437 -4.189 4.098 179 HA ASN 33 HA ASN 33 1.014 -3.973 6.601 180 HB3 ASN 33 2HB ASN 33 -0.457 -4.379 4.747 181 HD21 ASN 33 1HD2 ASN 33 -0.921 -5.165 2.754 182 HD22 ASN 33 2HD2 ASN 33 0.196 -6.030 1.753 183 H GLY 34 H GLY 34 3.921 -4.841 6.337 184 HA2 GLY 34 1HA GLY 34 5.281 -6.360 7.286 185 HA3 GLY 34 2HA GLY 34 3.887 -7.030 8.111 186 H LYS 35 H LYS 35 3.500 -6.848 4.662 187 HA LYS 35 HA LYS 35 4.305 -9.664 4.433 188 HB3 LYS 35 2HB LYS 35 2.114 -8.843 2.672 189 HG3 LYS 35 2HG LYS 35 2.433 -11.056 4.757 190 HD3 LYS 35 2HD LYS 35 0.118 -10.242 3.438 191 HE3 LYS 35 2HE LYS 35 1.204 -11.047 1.271 192 HZ1 LYS 35 1HZ LYS 35 1.659 -13.304 1.020 193 HZ2 LYS 35 2HZ LYS 35 2.194 -13.067 2.539 194 H THR 36 H THR 36 3.648 -6.553 2.701 195 HA THR 36 HA THR 36 6.093 -6.607 1.344 196 HB THR 36 HB THR 36 4.374 -8.508 0.288 197 HG1 THR 36 HG1 THR 36 5.861 -8.073 -1.619 198 HG21 THR 36 1HG2 THR 36 3.017 -6.335 -0.528 199 HG22 THR 36 2HG2 THR 36 4.326 -6.256 -1.732 200 HG23 THR 36 3HG2 THR 36 3.291 -7.700 -1.637 201 H CYS 37 H CYS 37 6.251 -4.836 -0.290 202 HA CYS 37 HA CYS 37 4.450 -2.713 0.565 203 HB3 CYS 37 2HB CYS 37 7.033 -2.596 0.692 204 H ASP 38 H ASP 38 2.989 -4.281 -0.991 205 HA ASP 38 HA ASP 38 2.874 -2.805 -3.453 206 HB3 ASP 38 2HB ASP 38 2.540 -4.985 -4.747 207 HD2 ASP 38 HD ASP 38 6.316 -5.618 -4.360 208 H CYS 39 H CYS 39 0.733 -2.103 -3.370 209 HA CYS 39 HA CYS 39 -1.407 -2.031 -2.827 210 HB3 CYS 39 2HB CYS 39 -1.110 -4.685 -4.190 211 HA PRO 40 HA PRO 40 -0.753 -4.720 0.915 212 HB3 PRO 40 2HB PRO 40 1.315 -4.118 1.729 213 HG3 PRO 40 2HG PRO 40 2.266 -2.293 0.686 214 HD3 PRO 40 2HD PRO 40 1.190 -2.377 -1.343 215 H ARG 41 H ARG 41 -1.458 -1.262 1.059 216 HA ARG 41 HA ARG 41 -3.675 -1.979 2.785 217 HB3 ARG 41 2HB ARG 41 -2.403 0.738 2.175 218 HG3 ARG 41 2HG ARG 41 -4.966 0.531 2.891 219 HD3 ARG 41 2HD ARG 41 -3.449 -0.443 5.256 220 HE ARG 41 HE ARG 41 -3.993 1.560 6.402 221 HH11 ARG 41 2HH2 ARG 41 -6.825 0.325 4.667 222 HH12 ARG 41 1HH2 ARG 41 -7.935 1.384 5.472 223 HH22 ARG 41 1HH ARG 41 -7.108 2.923 7.112 224 H ASN 42 H ASN 42 -5.840 -1.489 2.194 225 HA ASN 42 HA ASN 42 -6.872 0.230 0.565 226 HB3 ASN 42 2HB ASN 42 -5.478 -0.186 -1.348 227 HD21 ASN 42 1HD2 ASN 42 -5.286 -2.468 0.785 228 HD22 ASN 42 2HD2 ASN 42 -4.583 -3.789 -0.087 229 HA PRO 43 HA PRO 43 -9.316 -3.455 1.911 230 HB3 PRO 43 2HB PRO 43 -9.076 -3.359 4.199 231 HG3 PRO 43 2HG PRO 43 -8.042 -1.451 4.979 232 HD3 PRO 43 2HD PRO 43 -6.850 -0.841 3.111 233 H HIS 44 H HIS 44 -9.770 -1.675 -0.189 234 HA HIS 44 HA HIS 44 -12.519 -0.854 0.299 235 HB3 HIS 44 2HB HIS 44 -12.195 0.778 -1.212 236 HD1 HIS 44 HD1 HIS 44 -9.795 -0.197 1.026 237 HD2 HIS 44 HD2 HIS 44 -9.501 1.982 -2.546 238 HE1 HIS 44 HE1 HIS 44 -7.626 1.140 1.181 239 H LYS 45 H LYS 45 -12.359 -1.161 -2.959 240 HA LYS 45 HA LYS 45 -14.206 -2.976 -3.374 241 HB3 LYS 45 2HB LYS 45 -13.094 -3.509 -5.550 242 HG3 LYS 45 2HG LYS 45 -12.677 -0.884 -6.033 243 HD3 LYS 45 2HD LYS 45 -15.433 -0.877 -5.563 244 HE3 LYS 45 2HE LYS 45 -14.694 -2.368 -7.993 245 HZ1 LYS 45 1HZ LYS 45 -16.363 -0.265 -7.222 246 HZ2 LYS 45 2HZ LYS 45 -15.384 0.338 -8.376 247 H GLY 46 H GLY 46 -11.035 -4.364 -4.225 248 HA2 GLY 46 1HA GLY 46 -11.541 -6.577 -2.335 249 HA3 GLY 46 2HA GLY 46 -11.236 -6.886 -4.034 250 HA PRO 47 HA PRO 47 -7.096 -5.144 -2.981 251 HB3 PRO 47 2HB PRO 47 -7.023 -2.862 -3.280 252 HG3 PRO 47 2HG PRO 47 -9.022 -1.777 -2.899 253 HD3 PRO 47 2HD PRO 47 -10.498 -3.500 -3.269 254 H ALA 48 H ALA 48 -5.565 -4.141 -0.869 255 HA ALA 48 HA ALA 48 -5.164 -4.494 1.355 256 HB1 ALA 48 1HB ALA 48 -7.102 -6.822 1.370 257 HB2 ALA 48 2HB ALA 48 -6.524 -5.843 2.739 258 HB3 ALA 48 3HB ALA 48 -7.664 -5.144 1.564 259 H THR 49 H THR 49 -3.177 -5.368 1.636 260 HA THR 49 HA THR 49 -2.753 -8.109 0.683 261 HB THR 49 HB THR 49 -1.336 -5.562 -0.156 262 HG1 THR 49 HG1 THR 49 -2.093 -8.161 -1.298 263 HG21 THR 49 1HG2 THR 49 -0.025 -8.095 0.604 264 HG22 THR 49 2HG2 THR 49 0.184 -7.728 -1.125 265 HG23 THR 49 3HG2 THR 49 0.715 -6.556 0.105 Start of MODEL 7 1 H2 GLU 1 1H GLU 1 5.865 -4.663 -5.521 2 HA GLU 1 HA GLU 1 7.167 -4.172 -3.303 3 HB3 GLU 1 2HB GLU 1 6.244 -6.408 -4.239 4 HG3 GLU 1 2HG GLU 1 8.043 -7.986 -4.983 5 HE2 GLU 1 HE GLU 1 6.003 -6.301 -7.341 6 H CYS 2 H CYS 2 9.203 -3.626 -2.567 7 HA CYS 2 HA CYS 2 11.124 -2.892 -4.522 8 HB3 CYS 2 2HB CYS 2 10.935 -2.748 -1.540 9 H GLU 3 H GLU 3 11.086 -5.245 -1.735 10 HA GLU 3 HA GLU 3 12.777 -6.960 -3.355 11 HB3 GLU 3 2HB GLU 3 13.313 -6.433 -0.402 12 HG3 GLU 3 2HG GLU 3 14.571 -8.109 -2.575 13 HE2 GLU 3 HE GLU 3 17.165 -6.651 0.145 14 H SER 4 H SER 4 10.517 -6.473 -0.623 15 HA SER 4 HA SER 4 8.817 -8.374 -1.047 16 HB3 SER 4 2HB SER 4 11.342 -9.674 -0.070 17 HG SER 4 HG SER 4 8.729 -10.213 0.923 18 H GLY 5 H GLY 5 10.816 -6.565 1.115 19 HA2 GLY 5 1HA GLY 5 9.289 -7.161 3.511 20 HA3 GLY 5 2HA GLY 5 10.628 -6.043 3.339 21 HA PRO 6 HA PRO 6 6.423 -3.957 2.812 22 HB3 PRO 6 2HB PRO 6 4.800 -5.054 4.021 23 HG3 PRO 6 2HG PRO 6 5.596 -6.683 5.446 24 HD3 PRO 6 2HD PRO 6 7.589 -7.188 4.417 25 H CYS 7 H CYS 7 5.772 -1.765 3.452 26 HA CYS 7 HA CYS 7 6.182 0.200 4.416 27 HB3 CYS 7 2HB CYS 7 8.311 0.388 5.937 28 H CYS 8 H CYS 8 6.698 -0.030 1.862 29 HA CYS 8 HA CYS 8 8.824 1.676 1.362 30 HB3 CYS 8 2HB CYS 8 10.534 0.225 1.515 31 H ARG 9 H ARG 9 6.592 2.353 0.495 32 HA ARG 9 HA ARG 9 5.000 1.295 -1.189 33 HB3 ARG 9 2HB ARG 9 4.509 3.529 -1.238 34 HG3 ARG 9 2HG ARG 9 7.483 3.797 -0.817 35 HD3 ARG 9 2HD ARG 9 5.612 6.003 -1.785 36 HE ARG 9 HE ARG 9 7.475 6.311 0.292 37 HH11 ARG 9 2HH2 ARG 9 7.039 7.652 -2.958 38 HH12 ARG 9 1HH2 ARG 9 7.810 9.155 -2.576 39 HH22 ARG 9 1HH ARG 9 8.657 9.511 -0.363 40 H ASN 10 H ASN 10 8.235 2.549 -2.290 41 HA ASN 10 HA ASN 10 8.195 0.502 -4.327 42 HB3 ASN 10 2HB ASN 10 7.349 2.771 -5.272 43 HD21 ASN 10 1HD2 ASN 10 8.137 4.171 -3.362 44 HD22 ASN 10 2HD2 ASN 10 9.414 5.288 -3.707 45 H CYS 11 H CYS 11 9.616 0.734 -1.798 46 HA CYS 11 HA CYS 11 11.680 0.217 -1.143 47 HB3 CYS 11 2HB CYS 11 13.096 1.271 -3.536 48 H LYS 12 H LYS 12 10.537 2.345 -0.104 49 HA LYS 12 HA LYS 12 12.642 4.128 0.413 50 HB3 LYS 12 2HB LYS 12 10.436 5.605 -0.960 51 HG3 LYS 12 2HG LYS 12 12.430 6.630 0.340 52 HD3 LYS 12 2HD LYS 12 14.130 6.485 -2.053 53 HE3 LYS 12 2HE LYS 12 14.346 6.477 0.906 54 HZ1 LYS 12 1HZ LYS 12 16.656 5.323 -0.466 55 HZ2 LYS 12 2HZ LYS 12 16.183 5.135 1.082 56 H PHE 13 H PHE 13 9.177 3.280 0.435 57 HA PHE 13 HA PHE 13 7.790 3.143 2.168 58 HB3 PHE 13 2HB PHE 13 9.818 4.669 3.878 59 HD1 PHE 13 HD1 PHE 13 6.648 3.616 3.789 60 HD2 PHE 13 HD2 PHE 13 10.166 2.838 6.029 61 HE1 PHE 13 HE1 PHE 13 5.245 2.865 5.731 62 HE2 PHE 13 HE2 PHE 13 8.764 2.087 7.971 63 HZ PHE 13 HZ PHE 13 6.320 2.110 7.798 64 H LEU 14 H LEU 14 6.024 4.445 2.136 65 HA LEU 14 HA LEU 14 6.407 7.261 1.680 66 HB3 LEU 14 2HB LEU 14 3.764 5.905 2.094 67 HG LEU 14 HG LEU 14 2.943 7.787 1.259 68 HD11 LEU 14 1HD1 LEU 14 4.235 9.737 0.904 69 HD12 LEU 14 2HD1 LEU 14 5.068 8.814 2.177 70 HD13 LEU 14 3HD1 LEU 14 5.693 8.795 0.511 71 HD21 LEU 14 1HD2 LEU 14 4.425 8.036 -1.241 72 HD22 LEU 14 2HD2 LEU 14 3.822 6.385 -0.961 73 HD23 LEU 14 3HD2 LEU 14 2.691 7.759 -0.953 74 H LYS 15 H LYS 15 4.072 5.648 3.922 75 HA LYS 15 HA LYS 15 5.205 6.479 6.288 76 HB3 LYS 15 2HB LYS 15 5.004 8.768 5.531 77 HG3 LYS 15 2HG LYS 15 2.202 9.220 5.545 78 HD3 LYS 15 2HD LYS 15 3.168 9.139 2.842 79 HE3 LYS 15 2HE LYS 15 2.994 11.409 4.881 80 HZ1 LYS 15 1HZ LYS 15 2.618 12.496 2.480 81 HZ2 LYS 15 2HZ LYS 15 4.087 12.444 3.181 82 H GLU 16 H GLU 16 4.428 4.405 6.837 83 HA GLU 16 HA GLU 16 2.590 2.897 6.663 84 HB3 GLU 16 2HB GLU 16 1.738 3.393 9.221 85 HG3 GLU 16 2HG GLU 16 4.569 2.443 8.615 86 HE2 GLU 16 HE GLU 16 4.217 0.031 10.147 87 H GLY 17 H GLY 17 1.157 3.907 5.006 88 HA2 GLY 17 1HA GLY 17 -1.430 4.414 6.056 89 HA3 GLY 17 2HA GLY 17 -0.693 5.909 5.514 90 H THR 18 H THR 18 0.923 4.831 3.347 91 HA THR 18 HA THR 18 -0.708 5.077 1.210 92 HB THR 18 HB THR 18 1.263 3.188 0.451 93 HG1 THR 18 HG1 THR 18 2.645 3.281 2.174 94 HG21 THR 18 1HG2 THR 18 2.498 5.776 0.664 95 HG22 THR 18 2HG2 THR 18 1.823 5.016 -0.797 96 HG23 THR 18 3HG2 THR 18 0.793 6.045 0.228 97 H ILE 19 H ILE 19 -2.142 3.918 0.018 98 HA ILE 19 HA ILE 19 -2.649 1.193 0.997 99 HB ILE 19 HB ILE 19 -4.635 1.960 1.578 100 HG13 ILE 19 2HG1 ILE 19 -5.984 1.144 0.015 101 HG21 ILE 19 1HG2 ILE 19 -4.279 4.194 1.837 102 HG22 ILE 19 2HG2 ILE 19 -3.735 4.422 0.158 103 HG23 ILE 19 3HG2 ILE 19 -5.470 4.249 0.515 104 HD11 ILE 19 1HD1 ILE 19 -6.666 2.639 -1.926 105 HD12 ILE 19 2HD1 ILE 19 -6.846 3.387 -0.322 106 HD13 ILE 19 3HD1 ILE 19 -5.462 3.820 -1.354 107 H CYS 20 H CYS 20 -2.389 -0.410 -0.468 108 HA CYS 20 HA CYS 20 -1.168 -0.300 -2.755 109 HB3 CYS 20 2HB CYS 20 -3.501 -2.011 -1.966 110 H LYS 21 H LYS 21 -4.743 -0.678 -3.124 111 HA LYS 21 HA LYS 21 -4.830 1.710 -4.776 112 HB3 LYS 21 2HB LYS 21 -4.440 -0.797 -5.951 113 HG3 LYS 21 2HG LYS 21 -7.342 0.130 -6.160 114 HD3 LYS 21 2HD LYS 21 -7.106 -2.163 -7.687 115 HE3 LYS 21 2HE LYS 21 -6.856 -0.282 -9.631 116 HZ1 LYS 21 1HZ LYS 21 -9.120 -0.433 -9.685 117 HZ2 LYS 21 2HZ LYS 21 -8.916 -1.585 -8.552 118 H ARG 22 H ARG 22 -6.395 2.849 -3.758 119 HA ARG 22 HA ARG 22 -8.292 1.659 -2.147 120 HB3 ARG 22 2HB ARG 22 -7.731 4.373 -3.232 121 HG3 ARG 22 2HG ARG 22 -10.138 4.105 -3.888 122 HD3 ARG 22 2HD ARG 22 -10.891 2.453 -2.246 123 HE ARG 22 HE ARG 22 -9.373 3.546 -0.359 124 HH11 ARG 22 2HH2 ARG 22 -12.908 3.667 -0.559 125 HH12 ARG 22 1HH2 ARG 22 -13.124 3.792 1.155 126 HH22 ARG 22 1HH ARG 22 -11.200 3.814 2.582 127 H ALA 23 H ALA 23 -9.027 -0.086 -3.726 128 HA ALA 23 HA ALA 23 -10.327 0.420 -6.094 129 HB1 ALA 23 1HB ALA 23 -9.688 -1.811 -5.366 130 HB2 ALA 23 2HB ALA 23 -10.803 -1.719 -3.981 131 HB3 ALA 23 3HB ALA 23 -11.447 -1.777 -5.639 132 H ARG 24 H ARG 24 -11.917 -0.153 -2.867 133 HA ARG 24 HA ARG 24 -14.355 0.144 -3.095 134 HB3 ARG 24 2HB ARG 24 -14.112 2.372 -1.444 135 HG3 ARG 24 2HG ARG 24 -13.532 -0.558 -0.803 136 HD3 ARG 24 2HD ARG 24 -14.256 0.083 1.522 137 HE ARG 24 HE ARG 24 -11.734 0.989 0.328 138 HH11 ARG 24 2HH2 ARG 24 -13.578 0.706 3.339 139 HH12 ARG 24 1HH2 ARG 24 -12.173 0.765 4.350 140 HH22 ARG 24 1HH ARG 24 -10.010 0.978 3.343 141 H GLY 25 H GLY 25 -12.227 2.975 -3.854 142 HA2 GLY 25 1HA GLY 25 -14.382 4.037 -5.559 143 HA3 GLY 25 2HA GLY 25 -13.618 5.070 -4.368 144 H ASP 26 H ASP 26 -11.102 5.122 -4.443 145 HA ASP 26 HA ASP 26 -10.132 4.643 -7.121 146 HB3 ASP 26 2HB ASP 26 -10.792 6.943 -7.324 147 HD2 ASP 26 HD ASP 26 -11.410 7.599 -4.015 148 H ASP 27 H ASP 27 -8.112 3.659 -6.896 149 HA ASP 27 HA ASP 27 -6.998 2.972 -4.592 150 HB3 ASP 27 2HB ASP 27 -6.322 2.468 -7.079 151 HD2 ASP 27 HD ASP 27 -4.123 4.093 -8.862 152 H MET 28 H MET 28 -5.237 3.819 -3.228 153 HA MET 28 HA MET 28 -5.040 6.715 -3.424 154 HB3 MET 28 2HB MET 28 -4.262 6.457 -0.982 155 HG3 MET 28 2HG MET 28 -6.524 5.818 -0.101 156 HE1 MET 28 1HE MET 28 -6.400 7.725 0.687 157 HE2 MET 28 2HE MET 28 -5.942 9.229 -0.149 158 HE3 MET 28 3HE MET 28 -7.656 8.880 0.180 159 H ASP 29 H ASP 29 -2.909 4.162 -1.961 160 HA ASP 29 HA ASP 29 -0.821 4.958 -3.775 161 HB3 ASP 29 2HB ASP 29 0.802 5.322 -1.934 162 HD2 ASP 29 HD ASP 29 0.643 7.254 -3.058 163 H ASP 30 H ASP 30 0.559 3.601 -0.996 164 HA ASP 30 HA ASP 30 -0.333 1.000 -1.027 165 HB3 ASP 30 2HB ASP 30 0.608 0.162 -2.917 166 HD2 ASP 30 HD ASP 30 0.400 1.309 -4.767 167 H TYR 31 H TYR 31 0.158 0.806 1.178 168 HA TYR 31 HA TYR 31 2.853 1.632 2.017 169 HB3 TYR 31 2HB TYR 31 0.218 2.229 2.901 170 HD1 TYR 31 HD2 TYR 31 -1.142 0.222 3.393 171 HD2 TYR 31 HD1 TYR 31 2.334 1.180 5.695 172 HE1 TYR 31 HE2 TYR 31 -1.896 -1.386 5.212 173 HE2 TYR 31 HE1 TYR 31 1.569 -0.431 7.507 174 HH TYR 31 HH TYR 31 -1.586 -1.961 7.343 175 H CYS 32 H CYS 32 3.692 0.320 3.965 176 HA CYS 32 HA CYS 32 4.096 -2.266 3.202 177 HB3 CYS 32 2HB CYS 32 5.654 -1.734 4.718 178 H ASN 33 H ASN 33 3.510 -4.147 5.046 179 HA ASN 33 HA ASN 33 0.994 -3.974 6.198 180 HB3 ASN 33 2HB ASN 33 0.310 -4.041 3.735 181 HD21 ASN 33 1HD2 ASN 33 -0.659 -6.555 2.825 182 HD22 ASN 33 2HD2 ASN 33 0.640 -7.412 2.064 183 H GLY 34 H GLY 34 3.807 -4.909 6.599 184 HA2 GLY 34 1HA GLY 34 4.940 -6.626 7.499 185 HA3 GLY 34 2HA GLY 34 3.389 -7.262 8.010 186 H LYS 35 H LYS 35 3.742 -6.746 4.566 187 HA LYS 35 HA LYS 35 4.547 -9.528 4.177 188 HB3 LYS 35 2HB LYS 35 2.375 -8.670 2.393 189 HG3 LYS 35 2HG LYS 35 3.546 -11.029 2.942 190 HD3 LYS 35 2HD LYS 35 1.220 -11.827 4.436 191 HE3 LYS 35 2HE LYS 35 4.200 -11.944 4.666 192 HZ1 LYS 35 1HZ LYS 35 2.991 -13.003 7.011 193 HZ2 LYS 35 2HZ LYS 35 4.255 -11.982 6.900 194 H THR 36 H THR 36 3.311 -6.823 2.096 195 HA THR 36 HA THR 36 5.936 -6.869 0.755 196 HB THR 36 HB THR 36 3.191 -6.363 -0.505 197 HG1 THR 36 HG1 THR 36 3.780 -8.582 0.465 198 HG21 THR 36 1HG2 THR 36 4.748 -5.546 -2.077 199 HG22 THR 36 2HG2 THR 36 6.037 -6.633 -1.508 200 HG23 THR 36 3HG2 THR 36 4.713 -7.272 -2.511 201 H CYS 37 H CYS 37 5.938 -4.707 -0.770 202 HA CYS 37 HA CYS 37 4.970 -2.495 0.838 203 HB3 CYS 37 2HB CYS 37 7.230 -3.023 1.698 204 H ASP 38 H ASP 38 3.512 -2.340 -1.049 205 HA ASP 38 HA ASP 38 4.014 -0.468 -2.791 206 HB3 ASP 38 2HB ASP 38 5.185 -3.066 -3.830 207 HD2 ASP 38 HD ASP 38 4.880 -0.191 -6.359 208 H CYS 39 H CYS 39 1.740 -1.253 -1.641 209 HA CYS 39 HA CYS 39 -0.270 -1.277 -3.170 210 HB3 CYS 39 2HB CYS 39 0.114 -4.213 -3.352 211 HA PRO 40 HA PRO 40 -0.665 -3.897 0.806 212 HB3 PRO 40 2HB PRO 40 1.329 -4.671 1.660 213 HG3 PRO 40 2HG PRO 40 3.210 -3.688 0.756 214 HD3 PRO 40 2HD PRO 40 2.375 -2.998 -1.272 215 H ARG 41 H ARG 41 -2.553 -2.666 0.829 216 HA ARG 41 HA ARG 41 -3.335 -1.461 2.883 217 HB3 ARG 41 2HB ARG 41 -1.568 0.645 1.542 218 HG3 ARG 41 2HG ARG 41 -3.993 0.950 3.115 219 HD3 ARG 41 2HD ARG 41 -1.470 2.169 4.337 220 HE ARG 41 HE ARG 41 -3.990 3.211 4.453 221 HH11 ARG 41 2HH2 ARG 41 -2.068 1.497 6.887 222 HH12 ARG 41 1HH2 ARG 41 -2.813 2.308 8.226 223 HH22 ARG 41 1HH ARG 41 -4.517 3.940 7.809 224 H ASN 42 H ASN 42 -4.963 -2.354 1.224 225 HA ASN 42 HA ASN 42 -6.297 -0.123 0.065 226 HB3 ASN 42 2HB ASN 42 -4.903 -0.648 -1.858 227 HD21 ASN 42 1HD2 ASN 42 -4.034 -2.552 -0.008 228 HD22 ASN 42 2HD2 ASN 42 -3.777 -4.068 -0.806 229 HA PRO 43 HA PRO 43 -8.651 -3.840 1.553 230 HB3 PRO 43 2HB PRO 43 -8.173 -3.884 3.804 231 HG3 PRO 43 2HG PRO 43 -7.012 -2.048 4.578 232 HD3 PRO 43 2HD PRO 43 -6.002 -1.354 2.631 233 H HIS 44 H HIS 44 -9.380 -2.278 -0.478 234 HA HIS 44 HA HIS 44 -11.963 -1.215 0.363 235 HB3 HIS 44 2HB HIS 44 -11.902 0.206 -1.460 236 HD1 HIS 44 HD1 HIS 44 -9.193 -0.725 0.733 237 HD2 HIS 44 HD2 HIS 44 -9.665 2.028 -2.398 238 HE1 HIS 44 HE1 HIS 44 -7.313 0.981 0.991 239 H LYS 45 H LYS 45 -12.374 -1.596 -2.830 240 HA LYS 45 HA LYS 45 -14.292 -3.449 -2.786 241 HB3 LYS 45 2HB LYS 45 -13.855 -3.800 -5.189 242 HG3 LYS 45 2HG LYS 45 -13.283 -1.050 -5.411 243 HD3 LYS 45 2HD LYS 45 -15.883 -2.583 -4.987 244 HE3 LYS 45 2HE LYS 45 -15.693 0.121 -4.554 245 HZ1 LYS 45 1HZ LYS 45 -14.962 0.488 -6.867 246 HZ2 LYS 45 2HZ LYS 45 -16.312 -0.218 -7.441 247 H GLY 46 H GLY 46 -11.288 -4.571 -4.396 248 HA2 GLY 46 1HA GLY 46 -11.488 -7.048 -2.789 249 HA3 GLY 46 2HA GLY 46 -11.082 -7.005 -4.494 250 HA PRO 47 HA PRO 47 -7.133 -5.188 -3.152 251 HB3 PRO 47 2HB PRO 47 -7.137 -2.948 -3.690 252 HG3 PRO 47 2HG PRO 47 -9.206 -1.934 -3.572 253 HD3 PRO 47 2HD PRO 47 -10.573 -3.761 -3.858 254 H ALA 48 H ALA 48 -5.553 -4.353 -1.260 255 HA ALA 48 HA ALA 48 -5.728 -4.282 1.216 256 HB1 ALA 48 1HB ALA 48 -7.775 -5.575 1.400 257 HB2 ALA 48 2HB ALA 48 -7.004 -6.983 0.631 258 HB3 ALA 48 3HB ALA 48 -6.476 -6.451 2.245 259 H THR 49 H THR 49 -3.532 -4.167 1.345 260 HA THR 49 HA THR 49 -2.061 -6.649 1.186 261 HB THR 49 HB THR 49 -1.541 -4.294 -0.704 262 HG1 THR 49 HG1 THR 49 -1.841 -6.253 -2.177 263 HG21 THR 49 1HG2 THR 49 0.001 -6.899 -0.226 264 HG22 THR 49 2HG2 THR 49 0.252 -5.822 -1.620 265 HG23 THR 49 3HG2 THR 49 0.624 -5.251 0.024 Start of MODEL 8 1 H2 GLU 1 1H GLU 1 6.172 -4.376 -4.887 2 HA GLU 1 HA GLU 1 7.799 -4.769 -2.771 3 HB3 GLU 1 2HB GLU 1 7.572 -6.334 -5.374 4 HG3 GLU 1 2HG GLU 1 8.663 -7.369 -2.725 5 HE2 GLU 1 HE GLU 1 10.339 -8.940 -3.717 6 H CYS 2 H CYS 2 9.866 -4.181 -2.277 7 HA CYS 2 HA CYS 2 11.628 -3.614 -4.548 8 HB3 CYS 2 2HB CYS 2 11.763 -2.400 -1.783 9 H GLU 3 H GLU 3 11.589 -4.577 -1.033 10 HA GLU 3 HA GLU 3 13.719 -6.454 -1.710 11 HB3 GLU 3 2HB GLU 3 14.669 -6.100 0.536 12 HG3 GLU 3 2HG GLU 3 14.709 -4.231 -1.571 13 HE2 GLU 3 HE GLU 3 14.051 -3.351 1.837 14 H SER 4 H SER 4 10.670 -6.654 -1.598 15 HA SER 4 HA SER 4 9.252 -8.223 -1.078 16 HB3 SER 4 2HB SER 4 10.146 -10.287 -0.879 17 HG SER 4 HG SER 4 12.260 -10.361 -1.250 18 H GLY 5 H GLY 5 11.003 -6.350 1.204 19 HA2 GLY 5 1HA GLY 5 9.341 -7.086 3.489 20 HA3 GLY 5 2HA GLY 5 10.698 -5.977 3.465 21 HA PRO 6 HA PRO 6 6.563 -3.832 2.645 22 HB3 PRO 6 2HB PRO 6 4.806 -4.999 3.566 23 HG3 PRO 6 2HG PRO 6 5.423 -6.738 4.950 24 HD3 PRO 6 2HD PRO 6 7.525 -7.184 4.130 25 H CYS 7 H CYS 7 5.735 -1.721 3.510 26 HA CYS 7 HA CYS 7 6.058 0.163 4.631 27 HB3 CYS 7 2HB CYS 7 7.752 0.338 6.466 28 H CYS 8 H CYS 8 7.279 -0.707 2.089 29 HA CYS 8 HA CYS 8 9.573 1.110 2.114 30 HB3 CYS 8 2HB CYS 8 9.911 -1.545 1.823 31 H ARG 9 H ARG 9 6.464 0.958 1.419 32 HA ARG 9 HA ARG 9 5.159 1.326 -0.358 33 HB3 ARG 9 2HB ARG 9 6.952 3.758 0.014 34 HG3 ARG 9 2HG ARG 9 4.445 4.488 -1.190 35 HD3 ARG 9 2HD ARG 9 5.888 5.594 -2.837 36 HE ARG 9 HE ARG 9 6.676 5.704 0.004 37 HH11 ARG 9 2HH2 ARG 9 7.044 7.148 -3.210 38 HH12 ARG 9 1HH2 ARG 9 7.610 8.667 -2.600 39 HH22 ARG 9 1HH ARG 9 7.825 8.974 -0.233 40 H ASN 10 H ASN 10 5.929 -0.311 -1.909 41 HA ASN 10 HA ASN 10 6.456 -0.876 -3.946 42 HB3 ASN 10 2HB ASN 10 6.462 0.710 -5.639 43 HD21 ASN 10 1HD2 ASN 10 6.965 3.638 -4.537 44 HD22 ASN 10 2HD2 ASN 10 5.414 4.097 -3.918 45 H CYS 11 H CYS 11 8.820 1.749 -3.009 46 HA CYS 11 HA CYS 11 10.870 -0.076 -2.421 47 HB3 CYS 11 2HB CYS 11 11.239 1.394 -5.038 48 H LYS 12 H LYS 12 9.370 2.308 -1.423 49 HA LYS 12 HA LYS 12 11.586 3.771 -0.465 50 HB3 LYS 12 2HB LYS 12 10.233 5.928 -1.593 51 HG3 LYS 12 2HG LYS 12 12.379 5.731 -3.206 52 HD3 LYS 12 2HD LYS 12 11.869 6.801 -0.596 53 HE3 LYS 12 2HE LYS 12 13.912 4.858 -0.415 54 HZ1 LYS 12 1HZ LYS 12 15.201 6.758 -1.636 55 HZ2 LYS 12 2HZ LYS 12 15.225 7.477 -0.175 56 H PHE 13 H PHE 13 10.275 2.611 1.277 57 HA PHE 13 HA PHE 13 7.926 2.741 2.176 58 HB3 PHE 13 2HB PHE 13 10.296 4.100 3.593 59 HD1 PHE 13 HD1 PHE 13 6.843 3.043 3.880 60 HD2 PHE 13 HD2 PHE 13 10.366 3.942 6.068 61 HE1 PHE 13 HE1 PHE 13 5.484 3.260 5.979 62 HE2 PHE 13 HE2 PHE 13 9.006 4.160 8.167 63 HZ PHE 13 HZ PHE 13 6.582 3.816 8.097 64 H LEU 14 H LEU 14 6.161 4.046 2.174 65 HA LEU 14 HA LEU 14 6.542 6.851 1.643 66 HB3 LEU 14 2HB LEU 14 4.002 5.263 2.033 67 HG LEU 14 HG LEU 14 2.817 7.054 1.469 68 HD11 LEU 14 1HD1 LEU 14 3.920 9.310 1.608 69 HD12 LEU 14 2HD1 LEU 14 4.190 8.243 3.007 70 HD13 LEU 14 3HD1 LEU 14 5.475 8.464 1.795 71 HD21 LEU 14 1HD2 LEU 14 4.199 8.497 -0.540 72 HD22 LEU 14 2HD2 LEU 14 4.440 6.765 -0.874 73 HD23 LEU 14 3HD2 LEU 14 2.792 7.419 -0.716 74 H LYS 15 H LYS 15 3.911 5.778 3.753 75 HA LYS 15 HA LYS 15 5.223 6.552 6.162 76 HB3 LYS 15 2HB LYS 15 4.755 8.761 5.003 77 HG3 LYS 15 2HG LYS 15 1.898 8.364 5.914 78 HD3 LYS 15 2HD LYS 15 3.478 10.281 4.217 79 HE3 LYS 15 2HE LYS 15 0.778 9.206 3.523 80 HZ1 LYS 15 1HZ LYS 15 1.166 11.973 4.189 81 HZ2 LYS 15 2HZ LYS 15 0.660 11.786 2.653 82 H GLU 16 H GLU 16 4.554 4.600 7.032 83 HA GLU 16 HA GLU 16 2.687 2.996 6.835 84 HB3 GLU 16 2HB GLU 16 2.101 3.403 9.466 85 HG3 GLU 16 2HG GLU 16 4.784 2.483 8.326 86 HE2 GLU 16 HE GLU 16 4.558 3.792 11.016 87 H GLY 17 H GLY 17 0.895 3.586 5.540 88 HA2 GLY 17 1HA GLY 17 -1.506 4.102 6.687 89 HA3 GLY 17 2HA GLY 17 -0.876 5.705 6.368 90 H THR 18 H THR 18 0.748 4.523 3.995 91 HA THR 18 HA THR 18 -0.729 5.338 1.916 92 HB THR 18 HB THR 18 0.646 3.111 0.908 93 HG1 THR 18 HG1 THR 18 2.588 3.791 2.617 94 HG21 THR 18 1HG2 THR 18 0.947 5.844 0.746 95 HG22 THR 18 2HG2 THR 18 2.357 5.417 1.746 96 HG23 THR 18 3HG2 THR 18 2.156 4.688 0.135 97 H ILE 19 H ILE 19 -1.081 3.192 0.076 98 HA ILE 19 HA ILE 19 -2.742 1.187 1.048 99 HB ILE 19 HB ILE 19 -4.506 2.414 1.658 100 HG13 ILE 19 2HG1 ILE 19 -5.919 1.577 0.156 101 HG21 ILE 19 1HG2 ILE 19 -3.691 4.573 1.662 102 HG22 ILE 19 2HG2 ILE 19 -3.343 4.564 -0.084 103 HG23 ILE 19 3HG2 ILE 19 -5.024 4.687 0.489 104 HD11 ILE 19 1HD1 ILE 19 -6.480 3.073 -1.861 105 HD12 ILE 19 2HD1 ILE 19 -6.654 3.827 -0.258 106 HD13 ILE 19 3HD1 ILE 19 -5.225 4.183 -1.259 107 H CYS 20 H CYS 20 -2.836 -0.345 -0.531 108 HA CYS 20 HA CYS 20 -1.429 -0.117 -2.828 109 HB3 CYS 20 2HB CYS 20 -3.626 -1.919 -1.922 110 H LYS 21 H LYS 21 -4.927 -0.732 -3.288 111 HA LYS 21 HA LYS 21 -5.061 1.689 -4.945 112 HB3 LYS 21 2HB LYS 21 -6.602 0.257 -6.432 113 HG3 LYS 21 2HG LYS 21 -3.598 -0.265 -6.257 114 HD3 LYS 21 2HD LYS 21 -4.409 -0.422 -8.935 115 HE3 LYS 21 2HE LYS 21 -2.825 -1.887 -7.321 116 HZ1 LYS 21 1HZ LYS 21 -3.856 -3.654 -6.414 117 HZ2 LYS 21 2HZ LYS 21 -5.290 -2.957 -6.743 118 H ARG 22 H ARG 22 -6.803 2.990 -4.569 119 HA ARG 22 HA ARG 22 -8.370 2.382 -2.328 120 HB3 ARG 22 2HB ARG 22 -8.676 4.573 -4.444 121 HG3 ARG 22 2HG ARG 22 -10.717 4.748 -3.344 122 HD3 ARG 22 2HD ARG 22 -10.341 2.731 -1.893 123 HE ARG 22 HE ARG 22 -8.329 3.151 -0.660 124 HH11 ARG 22 2HH2 ARG 22 -10.911 5.412 0.220 125 HH12 ARG 22 1HH2 ARG 22 -10.124 5.939 1.671 126 HH22 ARG 22 1HH ARG 22 -7.998 5.005 2.259 127 H ALA 23 H ALA 23 -9.000 0.190 -3.580 128 HA ALA 23 HA ALA 23 -10.573 -0.153 -5.644 129 HB1 ALA 23 1HB ALA 23 -11.975 -1.519 -3.614 130 HB2 ALA 23 2HB ALA 23 -10.623 -2.139 -4.590 131 HB3 ALA 23 3HB ALA 23 -10.306 -1.371 -3.016 132 H ARG 24 H ARG 24 -11.894 0.983 -2.449 133 HA ARG 24 HA ARG 24 -14.435 1.273 -3.006 134 HB3 ARG 24 2HB ARG 24 -14.068 3.674 -1.738 135 HG3 ARG 24 2HG ARG 24 -13.812 0.837 -0.673 136 HD3 ARG 24 2HD ARG 24 -14.123 1.777 1.606 137 HE ARG 24 HE ARG 24 -11.684 2.278 0.072 138 HH11 ARG 24 2HH2 ARG 24 -13.186 2.588 3.266 139 HH12 ARG 24 1HH2 ARG 24 -11.673 2.623 4.110 140 HH22 ARG 24 1HH ARG 24 -9.631 2.466 2.868 141 H GLY 25 H GLY 25 -11.808 2.994 -4.580 142 HA2 GLY 25 1HA GLY 25 -13.693 4.240 -6.411 143 HA3 GLY 25 2HA GLY 25 -12.711 5.341 -5.465 144 H ASP 26 H ASP 26 -10.268 3.898 -5.265 145 HA ASP 26 HA ASP 26 -9.479 2.927 -7.769 146 HB3 ASP 26 2HB ASP 26 -9.152 4.951 -8.784 147 HD2 ASP 26 HD ASP 26 -10.046 7.954 -7.444 148 H ASP 27 H ASP 27 -7.411 5.205 -5.949 149 HA ASP 27 HA ASP 27 -6.565 3.364 -4.017 150 HB3 ASP 27 2HB ASP 27 -5.493 2.643 -6.361 151 HD2 ASP 27 HD ASP 27 -3.863 5.517 -7.435 152 H MET 28 H MET 28 -4.794 4.381 -2.657 153 HA MET 28 HA MET 28 -4.689 7.251 -3.164 154 HB3 MET 28 2HB MET 28 -4.575 7.529 -0.745 155 HG3 MET 28 2HG MET 28 -6.472 5.828 0.030 156 HE1 MET 28 1HE MET 28 -8.228 8.185 -3.376 157 HE2 MET 28 2HE MET 28 -6.459 8.016 -3.500 158 HE3 MET 28 3HE MET 28 -7.484 6.568 -3.362 159 H ASP 29 H ASP 29 -2.811 4.404 -1.946 160 HA ASP 29 HA ASP 29 -0.488 5.431 -3.194 161 HB3 ASP 29 2HB ASP 29 0.891 5.440 -1.078 162 HD2 ASP 29 HD ASP 29 -0.866 6.864 0.803 163 H ASP 30 H ASP 30 0.692 3.767 -0.561 164 HA ASP 30 HA ASP 30 -0.289 1.195 -0.941 165 HB3 ASP 30 2HB ASP 30 0.797 0.819 -2.952 166 HD2 ASP 30 HD ASP 30 2.695 3.917 -2.029 167 H TYR 31 H TYR 31 -0.119 0.979 1.335 168 HA TYR 31 HA TYR 31 2.450 1.634 2.565 169 HB3 TYR 31 2HB TYR 31 -0.362 1.830 3.183 170 HD1 TYR 31 HD2 TYR 31 -1.446 -0.369 3.444 171 HD2 TYR 31 HD1 TYR 31 1.713 0.875 6.048 172 HE1 TYR 31 HE2 TYR 31 -2.064 -2.210 5.084 173 HE2 TYR 31 HE1 TYR 31 1.083 -0.970 7.681 174 HH TYR 31 HH TYR 31 -1.497 -2.294 7.993 175 H CYS 32 H CYS 32 3.459 0.118 4.077 176 HA CYS 32 HA CYS 32 3.912 -2.337 3.053 177 HB3 CYS 32 2HB CYS 32 5.453 -1.925 4.626 178 H ASN 33 H ASN 33 3.418 -4.439 4.708 179 HA ASN 33 HA ASN 33 0.817 -4.466 5.747 180 HB3 ASN 33 2HB ASN 33 0.199 -4.522 3.328 181 HD21 ASN 33 1HD2 ASN 33 -0.215 -6.674 1.802 182 HD22 ASN 33 2HD2 ASN 33 1.254 -7.287 1.119 183 H GLY 34 H GLY 34 3.656 -5.185 6.356 184 HA2 GLY 34 1HA GLY 34 4.902 -6.856 7.205 185 HA3 GLY 34 2HA GLY 34 3.378 -7.524 7.752 186 H LYS 35 H LYS 35 3.687 -7.105 4.290 187 HA LYS 35 HA LYS 35 4.517 -9.897 3.998 188 HB3 LYS 35 2HB LYS 35 2.417 -9.049 2.123 189 HG3 LYS 35 2HG LYS 35 1.538 -11.314 2.795 190 HD3 LYS 35 2HD LYS 35 3.857 -12.534 2.207 191 HE3 LYS 35 2HE LYS 35 3.398 -11.139 -0.191 192 HZ1 LYS 35 1HZ LYS 35 2.207 -13.574 0.991 193 HZ2 LYS 35 2HZ LYS 35 1.816 -13.103 -0.518 194 H THR 36 H THR 36 3.859 -6.707 2.425 195 HA THR 36 HA THR 36 6.414 -6.711 1.195 196 HB THR 36 HB THR 36 4.273 -8.098 -0.183 197 HG1 THR 36 HG1 THR 36 6.832 -7.100 -1.177 198 HG21 THR 36 1HG2 THR 36 5.484 -5.808 -1.792 199 HG22 THR 36 2HG2 THR 36 4.189 -6.928 -2.278 200 HG23 THR 36 3HG2 THR 36 3.866 -5.668 -1.062 201 H CYS 37 H CYS 37 6.500 -4.801 -0.482 202 HA CYS 37 HA CYS 37 4.810 -2.690 0.649 203 HB3 CYS 37 2HB CYS 37 7.110 -2.455 1.391 204 H ASP 38 H ASP 38 3.430 -3.716 -1.246 205 HA ASP 38 HA ASP 38 4.022 -2.102 -3.572 206 HB3 ASP 38 2HB ASP 38 2.999 -4.935 -3.920 207 HD2 ASP 38 HD ASP 38 2.865 -4.997 -6.720 208 H CYS 39 H CYS 39 2.221 -0.843 -2.495 209 HA CYS 39 HA CYS 39 0.126 -0.194 -2.389 210 HB3 CYS 39 2HB CYS 39 0.155 -1.309 -4.771 211 HA PRO 40 HA PRO 40 -0.567 -3.946 0.351 212 HB3 PRO 40 2HB PRO 40 1.491 -4.674 1.084 213 HG3 PRO 40 2HG PRO 40 3.251 -3.280 0.553 214 HD3 PRO 40 2HD PRO 40 2.377 -2.199 -1.278 215 H ARG 41 H ARG 41 -2.160 -1.873 0.019 216 HA ARG 41 HA ARG 41 -3.246 -1.634 2.548 217 HB3 ARG 41 2HB ARG 41 -1.822 0.879 1.534 218 HG3 ARG 41 2HG ARG 41 -4.111 0.506 3.329 219 HD3 ARG 41 2HD ARG 41 -1.555 1.752 4.433 220 HE ARG 41 HE ARG 41 -3.879 3.090 4.675 221 HH11 ARG 41 2HH2 ARG 41 -2.313 0.931 7.007 222 HH12 ARG 41 1HH2 ARG 41 -2.980 1.737 8.388 223 HH22 ARG 41 1HH ARG 41 -4.417 3.627 8.064 224 H ASN 42 H ASN 42 -4.733 -2.470 0.692 225 HA ASN 42 HA ASN 42 -6.171 -0.160 -0.312 226 HB3 ASN 42 2HB ASN 42 -5.000 -0.877 -2.291 227 HD21 ASN 42 1HD2 ASN 42 -4.045 -2.624 -0.272 228 HD22 ASN 42 2HD2 ASN 42 -3.799 -4.195 -0.958 229 HA PRO 43 HA PRO 43 -8.613 -3.642 1.589 230 HB3 PRO 43 2HB PRO 43 -7.907 -3.671 3.780 231 HG3 PRO 43 2HG PRO 43 -6.531 -1.917 4.372 232 HD3 PRO 43 2HD PRO 43 -5.679 -1.353 2.312 233 H HIS 44 H HIS 44 -9.545 -2.332 -0.415 234 HA HIS 44 HA HIS 44 -11.965 -1.082 0.670 235 HB3 HIS 44 2HB HIS 44 -11.838 0.594 -0.827 236 HD1 HIS 44 HD1 HIS 44 -9.451 0.089 1.201 237 HD2 HIS 44 HD2 HIS 44 -9.047 1.032 -2.867 238 HE1 HIS 44 HE1 HIS 44 -7.133 1.123 0.932 239 H LYS 45 H LYS 45 -12.715 -1.137 -2.421 240 HA LYS 45 HA LYS 45 -14.641 -2.766 -2.646 241 HB3 LYS 45 2HB LYS 45 -13.908 -3.442 -4.949 242 HG3 LYS 45 2HG LYS 45 -13.325 -0.914 -5.578 243 HD3 LYS 45 2HD LYS 45 -15.666 -2.335 -5.378 244 HE3 LYS 45 2HE LYS 45 -15.878 0.074 -3.511 245 HZ1 LYS 45 1HZ LYS 45 -18.157 -1.650 -4.107 246 HZ2 LYS 45 2HZ LYS 45 -18.139 -0.062 -3.748 247 H GLY 46 H GLY 46 -11.371 -4.261 -3.200 248 HA2 GLY 46 1HA GLY 46 -12.107 -6.503 -1.503 249 HA3 GLY 46 2HA GLY 46 -11.954 -6.865 -3.210 250 HA PRO 47 HA PRO 47 -7.588 -5.711 -2.741 251 HB3 PRO 47 2HB PRO 47 -7.261 -3.706 -3.826 252 HG3 PRO 47 2HG PRO 47 -9.066 -2.272 -3.764 253 HD3 PRO 47 2HD PRO 47 -10.773 -3.778 -3.441 254 H ALA 48 H ALA 48 -5.652 -4.622 -1.255 255 HA ALA 48 HA ALA 48 -5.554 -4.004 1.157 256 HB1 ALA 48 1HB ALA 48 -7.168 -6.576 1.228 257 HB2 ALA 48 2HB ALA 48 -6.303 -5.945 2.651 258 HB3 ALA 48 3HB ALA 48 -7.599 -4.984 1.900 259 H THR 49 H THR 49 -3.361 -4.041 0.560 260 HA THR 49 HA THR 49 -2.140 -6.723 0.641 261 HB THR 49 HB THR 49 -1.532 -4.263 -1.068 262 HG1 THR 49 HG1 THR 49 -1.961 -7.130 -1.529 263 HG21 THR 49 1HG2 THR 49 0.162 -6.692 -0.385 264 HG22 THR 49 2HG2 THR 49 0.230 -6.001 -2.024 265 HG23 THR 49 3HG2 THR 49 0.679 -5.004 -0.619 Start of MODEL 9 1 H2 GLU 1 1H GLU 1 7.477 -2.418 -4.433 2 HA GLU 1 HA GLU 1 7.400 -4.376 -2.833 3 HB3 GLU 1 2HB GLU 1 7.555 -5.753 -5.549 4 HG3 GLU 1 2HG GLU 1 8.034 -6.765 -2.716 5 HE2 GLU 1 HE GLU 1 8.230 -8.299 -5.849 6 H CYS 2 H CYS 2 9.159 -2.734 -2.507 7 HA CYS 2 HA CYS 2 11.336 -2.283 -3.919 8 HB3 CYS 2 2HB CYS 2 11.258 -2.889 -0.957 9 H GLU 3 H GLU 3 10.948 -5.138 -1.687 10 HA GLU 3 HA GLU 3 12.496 -6.694 -3.536 11 HB3 GLU 3 2HB GLU 3 13.481 -7.105 -0.786 12 HG3 GLU 3 2HG GLU 3 14.810 -6.523 -3.475 13 HE2 GLU 3 HE GLU 3 15.320 -8.209 -0.570 14 H SER 4 H SER 4 10.510 -6.333 -0.596 15 HA SER 4 HA SER 4 8.730 -8.195 -1.073 16 HB3 SER 4 2HB SER 4 11.227 -9.532 -0.015 17 HG SER 4 HG SER 4 8.617 -9.988 0.855 18 H GLY 5 H GLY 5 10.655 -6.284 0.992 19 HA2 GLY 5 1HA GLY 5 9.244 -6.943 3.451 20 HA3 GLY 5 2HA GLY 5 10.536 -5.779 3.235 21 HA PRO 6 HA PRO 6 6.241 -3.858 2.777 22 HB3 PRO 6 2HB PRO 6 4.667 -5.030 3.981 23 HG3 PRO 6 2HG PRO 6 5.532 -6.643 5.384 24 HD3 PRO 6 2HD PRO 6 7.538 -7.059 4.339 25 H CYS 7 H CYS 7 5.503 -1.700 3.456 26 HA CYS 7 HA CYS 7 5.846 0.270 4.428 27 HB3 CYS 7 2HB CYS 7 7.827 0.594 6.014 28 H CYS 8 H CYS 8 6.359 0.141 1.888 29 HA CYS 8 HA CYS 8 8.438 1.903 1.414 30 HB3 CYS 8 2HB CYS 8 10.191 0.500 1.545 31 H ARG 9 H ARG 9 6.550 2.808 0.338 32 HA ARG 9 HA ARG 9 4.799 1.757 -1.257 33 HB3 ARG 9 2HB ARG 9 5.295 4.255 -0.823 34 HG3 ARG 9 2HG ARG 9 6.480 5.416 -2.703 35 HD3 ARG 9 2HD ARG 9 8.839 4.213 -2.148 36 HE ARG 9 HE ARG 9 7.669 5.549 0.194 37 HH11 ARG 9 2HH2 ARG 9 9.039 6.013 -3.041 38 HH12 ARG 9 1HH2 ARG 9 9.459 7.669 -2.760 39 HH22 ARG 9 1HH ARG 9 8.970 8.660 -0.634 40 H ASN 10 H ASN 10 8.272 2.067 -2.009 41 HA ASN 10 HA ASN 10 7.891 0.249 -4.188 42 HB3 ASN 10 2HB ASN 10 7.735 2.704 -5.084 43 HD21 ASN 10 1HD2 ASN 10 8.481 4.542 -4.309 44 HD22 ASN 10 2HD2 ASN 10 10.144 4.993 -4.133 45 H CYS 11 H CYS 11 10.055 2.456 -2.298 46 HA CYS 11 HA CYS 11 11.678 0.528 -1.293 47 HB3 CYS 11 2HB CYS 11 13.319 1.694 -3.477 48 H LYS 12 H LYS 12 10.529 2.782 -0.282 49 HA LYS 12 HA LYS 12 12.708 4.203 0.744 50 HB3 LYS 12 2HB LYS 12 11.270 6.310 -0.602 51 HG3 LYS 12 2HG LYS 12 14.155 5.305 -0.698 52 HD3 LYS 12 2HD LYS 12 12.810 7.819 -1.757 53 HE3 LYS 12 2HE LYS 12 15.666 7.412 -0.806 54 HZ1 LYS 12 1HZ LYS 12 16.450 8.716 -2.456 55 HZ2 LYS 12 2HZ LYS 12 15.100 8.360 -3.295 56 H PHE 13 H PHE 13 10.303 2.668 1.500 57 HA PHE 13 HA PHE 13 8.419 2.841 2.698 58 HB3 PHE 13 2HB PHE 13 9.913 4.978 4.271 59 HD1 PHE 13 HD1 PHE 13 7.041 3.911 4.433 60 HD2 PHE 13 HD2 PHE 13 10.638 2.750 6.361 61 HE1 PHE 13 HE1 PHE 13 5.716 3.025 6.373 62 HE2 PHE 13 HE2 PHE 13 9.314 1.864 8.300 63 HZ PHE 13 HZ PHE 13 6.868 2.013 8.283 64 H LEU 14 H LEU 14 6.483 3.788 2.288 65 HA LEU 14 HA LEU 14 6.413 6.460 1.289 66 HB3 LEU 14 2HB LEU 14 3.928 5.030 2.052 67 HG LEU 14 HG LEU 14 3.337 5.516 -0.339 68 HD11 LEU 14 1HD1 LEU 14 3.169 7.111 1.883 69 HD12 LEU 14 2HD1 LEU 14 3.934 8.198 0.700 70 HD13 LEU 14 3HD1 LEU 14 2.376 7.426 0.322 71 HD21 LEU 14 1HD2 LEU 14 4.782 6.348 -1.814 72 HD22 LEU 14 2HD2 LEU 14 5.321 7.618 -0.688 73 HD23 LEU 14 3HD2 LEU 14 6.059 5.999 -0.624 74 H LYS 15 H LYS 15 3.650 5.977 3.196 75 HA LYS 15 HA LYS 15 4.807 7.237 5.547 76 HB3 LYS 15 2HB LYS 15 3.523 9.182 5.476 77 HG3 LYS 15 2HG LYS 15 3.899 8.903 2.494 78 HD3 LYS 15 2HD LYS 15 5.139 11.122 2.988 79 HE3 LYS 15 2HE LYS 15 2.176 10.933 3.720 80 HZ1 LYS 15 1HZ LYS 15 2.383 13.151 3.894 81 HZ2 LYS 15 2HZ LYS 15 3.953 13.136 3.463 82 H GLU 16 H GLU 16 4.353 5.139 6.480 83 HA GLU 16 HA GLU 16 2.568 3.465 6.585 84 HB3 GLU 16 2HB GLU 16 2.098 4.177 9.201 85 HG3 GLU 16 2HG GLU 16 4.813 3.199 8.222 86 HE2 GLU 16 HE GLU 16 2.688 1.389 9.984 87 H GLY 17 H GLY 17 0.724 3.942 5.268 88 HA2 GLY 17 1HA GLY 17 -1.670 4.358 6.456 89 HA3 GLY 17 2HA GLY 17 -1.139 5.988 6.092 90 H THR 18 H THR 18 0.491 4.504 3.746 91 HA THR 18 HA THR 18 -1.047 5.313 1.650 92 HB THR 18 HB THR 18 0.372 3.039 0.754 93 HG1 THR 18 HG1 THR 18 1.973 4.420 2.715 94 HG21 THR 18 1HG2 THR 18 2.163 5.307 1.182 95 HG22 THR 18 2HG2 THR 18 1.522 4.674 -0.353 96 HG23 THR 18 3HG2 THR 18 0.592 5.878 0.571 97 H ILE 19 H ILE 19 -1.262 2.922 -0.020 98 HA ILE 19 HA ILE 19 -2.840 0.948 1.002 99 HB ILE 19 HB ILE 19 -4.623 2.075 1.735 100 HG13 ILE 19 2HG1 ILE 19 -6.185 1.320 0.352 101 HG21 ILE 19 1HG2 ILE 19 -5.292 4.330 0.453 102 HG22 ILE 19 2HG2 ILE 19 -4.089 4.277 1.764 103 HG23 ILE 19 3HG2 ILE 19 -3.554 4.291 0.067 104 HD11 ILE 19 1HD1 ILE 19 -6.750 3.586 -0.285 105 HD12 ILE 19 2HD1 ILE 19 -5.357 3.681 -1.390 106 HD13 ILE 19 3HD1 ILE 19 -6.730 2.614 -1.776 107 H CYS 20 H CYS 20 -2.377 -0.515 -0.543 108 HA CYS 20 HA CYS 20 -1.304 -0.375 -2.843 109 HB3 CYS 20 2HB CYS 20 -3.701 -1.985 -2.068 110 H LYS 21 H LYS 21 -4.842 -0.643 -3.367 111 HA LYS 21 HA LYS 21 -4.879 1.927 -4.722 112 HB3 LYS 21 2HB LYS 21 -5.949 0.789 -6.738 113 HG3 LYS 21 2HG LYS 21 -3.084 -0.117 -6.462 114 HD3 LYS 21 2HD LYS 21 -4.355 1.703 -8.542 115 HE3 LYS 21 2HE LYS 21 -2.096 -0.343 -8.742 116 HZ1 LYS 21 1HZ LYS 21 -1.786 1.458 -10.689 117 HZ2 LYS 21 2HZ LYS 21 -2.623 0.077 -10.904 118 H ARG 22 H ARG 22 -6.373 2.780 -3.300 119 HA ARG 22 HA ARG 22 -8.345 1.465 -2.045 120 HB3 ARG 22 2HB ARG 22 -8.031 4.309 -3.017 121 HG3 ARG 22 2HG ARG 22 -10.552 3.474 -3.072 122 HD3 ARG 22 2HD ARG 22 -10.700 2.371 -0.929 123 HE ARG 22 HE ARG 22 -8.886 3.318 0.368 124 HH11 ARG 22 2HH2 ARG 22 -11.678 5.481 0.084 125 HH12 ARG 22 1HH2 ARG 22 -11.198 6.478 1.417 126 HH22 ARG 22 1HH ARG 22 -9.181 5.960 2.603 127 H ALA 23 H ALA 23 -9.473 -0.106 -3.294 128 HA ALA 23 HA ALA 23 -10.634 0.613 -5.807 129 HB1 ALA 23 1HB ALA 23 -11.187 -1.654 -5.953 130 HB2 ALA 23 2HB ALA 23 -9.737 -1.689 -4.921 131 HB3 ALA 23 3HB ALA 23 -11.353 -1.832 -4.190 132 H ARG 24 H ARG 24 -12.185 -0.726 -2.806 133 HA ARG 24 HA ARG 24 -14.623 -0.463 -2.982 134 HB3 ARG 24 2HB ARG 24 -13.200 -0.297 -0.793 135 HG3 ARG 24 2HG ARG 24 -14.041 2.619 -1.147 136 HD3 ARG 24 2HD ARG 24 -14.120 1.445 1.224 137 HE ARG 24 HE ARG 24 -11.560 0.698 0.669 138 HH11 ARG 24 2HH2 ARG 24 -12.817 3.102 2.948 139 HH12 ARG 24 1HH2 ARG 24 -11.499 2.921 4.058 140 HH22 ARG 24 1HH ARG 24 -9.751 1.361 3.559 141 H GLY 25 H GLY 25 -12.576 2.506 -3.120 142 HA2 GLY 25 1HA GLY 25 -14.862 3.923 -4.344 143 HA3 GLY 25 2HA GLY 25 -13.871 4.671 -3.107 144 H ASP 26 H ASP 26 -11.530 5.010 -3.541 145 HA ASP 26 HA ASP 26 -10.845 4.797 -6.342 146 HB3 ASP 26 2HB ASP 26 -10.399 7.070 -6.651 147 HD2 ASP 26 HD ASP 26 -12.681 7.549 -3.695 148 H ASP 27 H ASP 27 -8.862 3.727 -6.309 149 HA ASP 27 HA ASP 27 -7.434 3.038 -4.214 150 HB3 ASP 27 2HB ASP 27 -7.067 2.688 -6.814 151 HD2 ASP 27 HD ASP 27 -7.215 5.057 -7.358 152 H MET 28 H MET 28 -5.552 3.890 -3.033 153 HA MET 28 HA MET 28 -5.372 6.793 -3.237 154 HB3 MET 28 2HB MET 28 -4.643 6.678 -0.840 155 HG3 MET 28 2HG MET 28 -6.775 5.386 0.052 156 HE1 MET 28 1HE MET 28 -7.374 6.892 -3.195 157 HE2 MET 28 2HE MET 28 -8.247 8.409 -2.871 158 HE3 MET 28 3HE MET 28 -6.470 8.410 -2.980 159 H ASP 29 H ASP 29 -3.131 4.615 -1.483 160 HA ASP 29 HA ASP 29 -1.117 5.273 -3.482 161 HB3 ASP 29 2HB ASP 29 0.536 5.419 -1.575 162 HD2 ASP 29 HD ASP 29 -0.331 7.728 0.332 163 H ASP 30 H ASP 30 0.280 3.755 -0.791 164 HA ASP 30 HA ASP 30 -0.638 1.163 -0.975 165 HB3 ASP 30 2HB ASP 30 0.233 0.741 -3.094 166 HD2 ASP 30 HD ASP 30 1.757 3.737 -2.206 167 H TYR 31 H TYR 31 -0.201 0.957 1.252 168 HA TYR 31 HA TYR 31 2.487 1.703 2.159 169 HB3 TYR 31 2HB TYR 31 -0.187 2.138 3.054 170 HD1 TYR 31 HD2 TYR 31 -1.188 -0.238 3.250 171 HD2 TYR 31 HD1 TYR 31 1.728 1.319 5.966 172 HE1 TYR 31 HE2 TYR 31 -1.856 -1.981 4.977 173 HE2 TYR 31 HE1 TYR 31 1.050 -0.429 7.684 174 HH TYR 31 HH TYR 31 -0.321 -2.022 8.182 175 H CYS 32 H CYS 32 3.298 0.270 4.057 176 HA CYS 32 HA CYS 32 3.747 -2.263 3.082 177 HB3 CYS 32 2HB CYS 32 5.346 -1.756 4.576 178 H ASN 33 H ASN 33 3.238 -4.239 4.869 179 HA ASN 33 HA ASN 33 0.632 -4.089 5.934 180 HB3 ASN 33 2HB ASN 33 -0.016 -4.425 3.572 181 HD21 ASN 33 1HD2 ASN 33 -0.342 -6.885 2.376 182 HD22 ASN 33 2HD2 ASN 33 1.148 -7.422 1.675 183 H GLY 34 H GLY 34 3.485 -4.778 6.609 184 HA2 GLY 34 1HA GLY 34 4.632 -6.305 7.792 185 HA3 GLY 34 2HA GLY 34 3.091 -7.022 8.215 186 H LYS 35 H LYS 35 3.596 -6.808 4.789 187 HA LYS 35 HA LYS 35 4.696 -9.521 4.725 188 HB3 LYS 35 2HB LYS 35 2.348 -8.667 3.018 189 HG3 LYS 35 2HG LYS 35 4.072 -11.063 3.301 190 HD3 LYS 35 2HD LYS 35 1.045 -11.411 3.090 191 HE3 LYS 35 2HE LYS 35 2.854 -13.702 3.676 192 HZ1 LYS 35 1HZ LYS 35 1.226 -14.161 1.508 193 HZ2 LYS 35 2HZ LYS 35 0.899 -14.588 3.046 194 H THR 36 H THR 36 3.589 -6.786 2.594 195 HA THR 36 HA THR 36 6.283 -6.664 1.496 196 HB THR 36 HB THR 36 5.071 -8.331 0.083 197 HG1 THR 36 HG1 THR 36 6.536 -6.618 -0.804 198 HG21 THR 36 1HG2 THR 36 3.113 -6.002 -0.259 199 HG22 THR 36 2HG2 THR 36 3.206 -7.376 -1.387 200 HG23 THR 36 3HG2 THR 36 2.732 -7.646 0.308 201 H CYS 37 H CYS 37 6.155 -4.805 -0.359 202 HA CYS 37 HA CYS 37 4.520 -2.666 0.781 203 HB3 CYS 37 2HB CYS 37 6.732 -2.397 1.714 204 H ASP 38 H ASP 38 3.318 -3.725 -1.227 205 HA ASP 38 HA ASP 38 4.087 -2.101 -3.497 206 HB3 ASP 38 2HB ASP 38 4.940 -4.457 -3.839 207 HD2 ASP 38 HD ASP 38 1.740 -6.373 -4.759 208 H CYS 39 H CYS 39 2.137 -1.163 -1.962 209 HA CYS 39 HA CYS 39 0.053 -0.396 -2.311 210 HB3 CYS 39 2HB CYS 39 0.215 -1.807 -4.585 211 HA PRO 40 HA PRO 40 -0.698 -4.029 0.600 212 HB3 PRO 40 2HB PRO 40 1.328 -4.873 1.296 213 HG3 PRO 40 2HG PRO 40 3.159 -3.613 0.680 214 HD3 PRO 40 2HD PRO 40 2.305 -2.523 -1.155 215 H ARG 41 H ARG 41 -2.413 -2.251 0.407 216 HA ARG 41 HA ARG 41 -3.284 -1.753 2.916 217 HB3 ARG 41 2HB ARG 41 -1.762 0.635 1.758 218 HG3 ARG 41 2HG ARG 41 -4.032 0.474 3.686 219 HD3 ARG 41 2HD ARG 41 -2.731 2.699 4.664 220 HE ARG 41 HE ARG 41 -2.203 0.210 6.133 221 HH11 ARG 41 2HH2 ARG 41 -4.655 2.619 5.273 222 HH12 ARG 41 1HH2 ARG 41 -5.676 2.242 6.621 223 HH22 ARG 41 1HH ARG 41 -5.007 0.530 8.159 224 H ASN 42 H ASN 42 -4.490 -2.622 0.618 225 HA ASN 42 HA ASN 42 -6.174 -0.348 -0.063 226 HB3 ASN 42 2HB ASN 42 -4.783 -0.808 -2.035 227 HD21 ASN 42 1HD2 ASN 42 -4.020 -2.886 -0.279 228 HD22 ASN 42 2HD2 ASN 42 -3.830 -4.352 -1.183 229 HA PRO 43 HA PRO 43 -8.315 -4.263 1.309 230 HB3 PRO 43 2HB PRO 43 -7.588 -4.580 3.471 231 HG3 PRO 43 2HG PRO 43 -6.342 -2.841 4.334 232 HD3 PRO 43 2HD PRO 43 -5.553 -1.901 2.389 233 H HIS 44 H HIS 44 -9.350 -2.705 -0.466 234 HA HIS 44 HA HIS 44 -11.725 -1.561 0.779 235 HB3 HIS 44 2HB HIS 44 -11.984 -0.243 -1.157 236 HD1 HIS 44 HD1 HIS 44 -9.004 -1.030 0.792 237 HD2 HIS 44 HD2 HIS 44 -10.015 1.755 -2.178 238 HE1 HIS 44 HE1 HIS 44 -7.242 0.812 0.910 239 H LYS 45 H LYS 45 -12.941 -1.837 -2.097 240 HA LYS 45 HA LYS 45 -14.111 -4.437 -1.537 241 HB3 LYS 45 2HB LYS 45 -15.578 -2.488 -1.875 242 HG3 LYS 45 2HG LYS 45 -13.819 -1.781 -3.908 243 HD3 LYS 45 2HD LYS 45 -16.288 -2.126 -5.494 244 HE3 LYS 45 2HE LYS 45 -14.073 -3.277 -6.807 245 HZ1 LYS 45 1HZ LYS 45 -14.199 -1.299 -8.094 246 HZ2 LYS 45 2HZ LYS 45 -15.725 -1.539 -7.579 247 H GLY 46 H GLY 46 -11.488 -4.775 -2.245 248 HA2 GLY 46 1HA GLY 46 -11.514 -6.593 -4.266 249 HA3 GLY 46 2HA GLY 46 -11.197 -5.080 -5.092 250 HA PRO 47 HA PRO 47 -7.160 -4.908 -3.406 251 HB3 PRO 47 2HB PRO 47 -6.855 -2.635 -3.617 252 HG3 PRO 47 2HG PRO 47 -8.782 -1.382 -3.428 253 HD3 PRO 47 2HD PRO 47 -10.351 -2.956 -4.022 254 H ALA 48 H ALA 48 -5.627 -4.455 -1.301 255 HA ALA 48 HA ALA 48 -6.073 -4.749 1.157 256 HB1 ALA 48 1HB ALA 48 -7.371 -7.189 -0.085 257 HB2 ALA 48 2HB ALA 48 -6.788 -7.199 1.597 258 HB3 ALA 48 3HB ALA 48 -8.049 -6.045 1.099 259 H THR 49 H THR 49 -3.814 -4.410 1.000 260 HA THR 49 HA THR 49 -2.300 -6.901 0.821 261 HB THR 49 HB THR 49 -1.833 -4.375 -0.843 262 HG1 THR 49 HG1 THR 49 -3.303 -6.202 -1.517 263 HG21 THR 49 1HG2 THR 49 0.096 -6.334 0.188 264 HG22 THR 49 2HG2 THR 49 -0.032 -6.438 -1.584 265 HG23 THR 49 3HG2 THR 49 0.396 -4.893 -0.812 Start of MODEL 10 1 H2 GLU 1 1H GLU 1 7.665 -2.945 -4.902 2 HA GLU 1 HA GLU 1 7.218 -3.586 -2.581 3 HB3 GLU 1 2HB GLU 1 5.881 -5.587 -3.095 4 HG3 GLU 1 2HG GLU 1 7.880 -7.550 -3.584 5 HE2 GLU 1 HE GLU 1 5.356 -8.791 -4.973 6 H CYS 2 H CYS 2 9.293 -2.457 -3.987 7 HA CYS 2 HA CYS 2 11.490 -2.452 -4.365 8 HB3 CYS 2 2HB CYS 2 11.535 -3.511 -1.532 9 H GLU 3 H GLU 3 11.951 -5.101 -2.029 10 HA GLU 3 HA GLU 3 12.482 -6.889 -4.266 11 HB3 GLU 3 2HB GLU 3 14.221 -7.211 -1.871 12 HG3 GLU 3 2HG GLU 3 15.730 -6.949 -4.238 13 HE2 GLU 3 HE GLU 3 15.402 -10.267 -4.598 14 H SER 4 H SER 4 10.661 -6.239 -1.548 15 HA SER 4 HA SER 4 9.049 -8.063 -1.261 16 HB3 SER 4 2HB SER 4 11.645 -9.488 -0.588 17 HG SER 4 HG SER 4 9.837 -11.243 -0.098 18 H GLY 5 H GLY 5 10.037 -5.585 -0.073 19 HA2 GLY 5 1HA GLY 5 9.711 -6.260 2.789 20 HA3 GLY 5 2HA GLY 5 10.869 -5.069 2.233 21 HA PRO 6 HA PRO 6 6.417 -3.425 2.264 22 HB3 PRO 6 2HB PRO 6 4.988 -4.715 3.527 23 HG3 PRO 6 2HG PRO 6 6.028 -6.311 4.828 24 HD3 PRO 6 2HD PRO 6 7.984 -6.585 3.651 25 H CYS 7 H CYS 7 5.573 -1.345 3.112 26 HA CYS 7 HA CYS 7 5.873 0.589 4.188 27 HB3 CYS 7 2HB CYS 7 8.094 0.990 5.456 28 H CYS 8 H CYS 8 5.973 0.758 1.647 29 HA CYS 8 HA CYS 8 7.737 2.700 0.948 30 HB3 CYS 8 2HB CYS 8 9.283 0.514 1.195 31 H ARG 9 H ARG 9 7.202 3.461 -1.186 32 HA ARG 9 HA ARG 9 4.808 2.300 -2.176 33 HB3 ARG 9 2HB ARG 9 4.475 4.377 -3.086 34 HG3 ARG 9 2HG ARG 9 6.016 4.708 -0.889 35 HD3 ARG 9 2HD ARG 9 7.576 6.147 -3.085 36 HE ARG 9 HE ARG 9 7.776 6.079 -0.121 37 HH11 ARG 9 2HH2 ARG 9 9.171 7.139 -3.200 38 HH12 ARG 9 1HH2 ARG 9 10.200 8.323 -2.469 39 HH22 ARG 9 1HH ARG 9 10.162 8.602 -0.088 40 H ASN 10 H ASN 10 8.210 1.963 -2.757 41 HA ASN 10 HA ASN 10 7.678 0.151 -4.871 42 HB3 ASN 10 2HB ASN 10 7.793 2.264 -6.176 43 HD21 ASN 10 1HD2 ASN 10 8.131 3.755 -4.232 44 HD22 ASN 10 2HD2 ASN 10 9.617 4.643 -4.179 45 H CYS 11 H CYS 11 9.962 2.131 -2.910 46 HA CYS 11 HA CYS 11 11.324 0.019 -1.850 47 HB3 CYS 11 2HB CYS 11 12.963 1.157 -4.115 48 H LYS 12 H LYS 12 10.206 2.544 -1.119 49 HA LYS 12 HA LYS 12 12.418 3.663 0.259 50 HB3 LYS 12 2HB LYS 12 11.471 5.981 -1.024 51 HG3 LYS 12 2HG LYS 12 13.945 5.291 -2.187 52 HD3 LYS 12 2HD LYS 12 13.599 6.539 0.570 53 HE3 LYS 12 2HE LYS 12 15.346 7.962 -1.219 54 HZ1 LYS 12 1HZ LYS 12 15.411 7.626 1.299 55 HZ2 LYS 12 2HZ LYS 12 16.172 6.213 1.020 56 H PHE 13 H PHE 13 10.753 2.674 1.764 57 HA PHE 13 HA PHE 13 8.427 2.917 2.458 58 HB3 PHE 13 2HB PHE 13 10.114 4.821 4.133 59 HD1 PHE 13 HD1 PHE 13 7.112 3.953 4.100 60 HD2 PHE 13 HD2 PHE 13 10.514 2.623 6.259 61 HE1 PHE 13 HE1 PHE 13 5.625 3.188 5.972 62 HE2 PHE 13 HE2 PHE 13 9.027 1.858 8.131 63 HZ PHE 13 HZ PHE 13 6.600 2.149 7.965 64 H LEU 14 H LEU 14 6.600 4.143 2.283 65 HA LEU 14 HA LEU 14 6.913 6.831 1.279 66 HB3 LEU 14 2HB LEU 14 5.092 6.296 0.175 67 HG LEU 14 HG LEU 14 5.759 3.853 0.635 68 HD11 LEU 14 1HD1 LEU 14 5.110 2.899 2.526 69 HD12 LEU 14 2HD1 LEU 14 4.253 4.383 3.007 70 HD13 LEU 14 3HD1 LEU 14 3.409 3.136 2.060 71 HD21 LEU 14 1HD2 LEU 14 3.968 3.078 -0.621 72 HD22 LEU 14 2HD2 LEU 14 2.806 4.177 0.160 73 HD23 LEU 14 3HD2 LEU 14 3.995 4.817 -0.999 74 H LYS 15 H LYS 15 4.203 6.013 3.401 75 HA LYS 15 HA LYS 15 5.328 7.173 5.733 76 HB3 LYS 15 2HB LYS 15 5.148 9.260 4.590 77 HG3 LYS 15 2HG LYS 15 2.628 8.060 3.561 78 HD3 LYS 15 2HD LYS 15 1.852 10.590 3.208 79 HE3 LYS 15 2HE LYS 15 1.392 9.196 5.887 80 HZ1 LYS 15 1HZ LYS 15 -0.722 10.321 5.742 81 HZ2 LYS 15 2HZ LYS 15 0.431 11.457 5.561 82 H GLU 16 H GLU 16 4.557 5.113 6.498 83 HA GLU 16 HA GLU 16 2.637 3.643 6.451 84 HB3 GLU 16 2HB GLU 16 1.992 4.025 8.957 85 HG3 GLU 16 2HG GLU 16 4.873 3.661 8.016 86 HE2 GLU 16 HE GLU 16 5.535 4.869 9.928 87 H GLY 17 H GLY 17 0.585 3.627 5.652 88 HA2 GLY 17 1HA GLY 17 -1.705 4.343 6.263 89 HA3 GLY 17 2HA GLY 17 -1.108 5.989 6.208 90 H THR 18 H THR 18 0.566 4.172 3.869 91 HA THR 18 HA THR 18 -0.988 5.407 1.759 92 HB THR 18 HB THR 18 1.142 3.848 0.711 93 HG1 THR 18 HG1 THR 18 1.827 5.321 3.149 94 HG21 THR 18 1HG2 THR 18 0.386 6.539 0.713 95 HG22 THR 18 2HG2 THR 18 1.906 6.562 1.640 96 HG23 THR 18 3HG2 THR 18 1.882 5.903 -0.013 97 H ILE 19 H ILE 19 -2.963 4.350 1.650 98 HA ILE 19 HA ILE 19 -3.165 1.544 1.705 99 HB ILE 19 HB ILE 19 -5.213 2.246 2.118 100 HG13 ILE 19 2HG1 ILE 19 -6.244 1.439 0.307 101 HG21 ILE 19 1HG2 ILE 19 -4.470 4.839 0.745 102 HG22 ILE 19 2HG2 ILE 19 -6.037 4.539 1.533 103 HG23 ILE 19 3HG2 ILE 19 -4.538 4.506 2.493 104 HD11 ILE 19 1HD1 ILE 19 -6.107 4.397 -0.386 105 HD12 ILE 19 2HD1 ILE 19 -6.991 3.233 -1.402 106 HD13 ILE 19 3HD1 ILE 19 -7.478 3.486 0.292 107 H CYS 20 H CYS 20 -3.115 -0.001 0.096 108 HA CYS 20 HA CYS 20 -1.561 0.342 -2.072 109 HB3 CYS 20 2HB CYS 20 -3.653 -1.606 -1.303 110 H LYS 21 H LYS 21 -5.085 -0.262 -2.618 111 HA LYS 21 HA LYS 21 -5.201 2.143 -4.266 112 HB3 LYS 21 2HB LYS 21 -6.183 0.926 -6.132 113 HG3 LYS 21 2HG LYS 21 -3.439 0.456 -5.141 114 HD3 LYS 21 2HD LYS 21 -4.660 -1.872 -6.008 115 HE3 LYS 21 2HE LYS 21 -4.128 -0.254 -8.367 116 HZ1 LYS 21 1HZ LYS 21 -2.628 -2.814 -8.210 117 HZ2 LYS 21 2HZ LYS 21 -2.771 -1.878 -9.536 118 H ARG 22 H ARG 22 -6.890 3.326 -3.571 119 HA ARG 22 HA ARG 22 -8.704 2.284 -1.756 120 HB3 ARG 22 2HB ARG 22 -8.788 4.810 -3.478 121 HG3 ARG 22 2HG ARG 22 -11.016 4.753 -2.813 122 HD3 ARG 22 2HD ARG 22 -10.950 2.532 -1.732 123 HE ARG 22 HE ARG 22 -8.925 2.987 -0.256 124 HH11 ARG 22 2HH2 ARG 22 -12.196 3.570 0.977 125 HH12 ARG 22 1HH2 ARG 22 -11.739 3.374 2.636 126 HH22 ARG 22 1HH ARG 22 -9.457 2.878 3.174 127 H ALA 23 H ALA 23 -9.064 0.331 -3.459 128 HA ALA 23 HA ALA 23 -10.465 0.422 -5.715 129 HB1 ALA 23 1HB ALA 23 -11.781 -1.585 -4.298 130 HB2 ALA 23 2HB ALA 23 -10.246 -1.760 -5.182 131 HB3 ALA 23 3HB ALA 23 -10.233 -1.412 -3.435 132 H ARG 24 H ARG 24 -12.035 0.480 -2.432 133 HA ARG 24 HA ARG 24 -14.549 0.643 -2.951 134 HB3 ARG 24 2HB ARG 24 -14.423 2.837 -1.271 135 HG3 ARG 24 2HG ARG 24 -13.957 -0.118 -0.690 136 HD3 ARG 24 2HD ARG 24 -14.631 0.485 1.681 137 HE ARG 24 HE ARG 24 -12.022 1.341 0.541 138 HH11 ARG 24 2HH2 ARG 24 -13.889 0.397 3.400 139 HH12 ARG 24 1HH2 ARG 24 -12.485 0.080 4.365 140 HH22 ARG 24 1HH ARG 24 -10.309 0.396 3.411 141 H GLY 25 H GLY 25 -12.173 3.066 -3.985 142 HA2 GLY 25 1HA GLY 25 -14.257 4.384 -5.576 143 HA3 GLY 25 2HA GLY 25 -13.295 5.362 -4.485 144 H ASP 26 H ASP 26 -10.741 4.600 -4.641 145 HA ASP 26 HA ASP 26 -9.912 3.824 -7.196 146 HB3 ASP 26 2HB ASP 26 -9.526 6.775 -6.508 147 HD2 ASP 26 HD ASP 26 -7.276 7.238 -8.783 148 H ASP 27 H ASP 27 -7.794 3.043 -6.901 149 HA ASP 27 HA ASP 27 -6.644 2.685 -4.584 150 HB3 ASP 27 2HB ASP 27 -5.862 2.135 -7.054 151 HD2 ASP 27 HD ASP 27 -3.527 3.934 -5.464 152 H MET 28 H MET 28 -4.949 3.770 -3.278 153 HA MET 28 HA MET 28 -4.913 6.650 -3.753 154 HB3 MET 28 2HB MET 28 -4.645 6.853 -1.272 155 HG3 MET 28 2HG MET 28 -6.841 5.860 -0.558 156 HE1 MET 28 1HE MET 28 -7.365 9.491 -1.554 157 HE2 MET 28 2HE MET 28 -7.543 8.259 -0.282 158 HE3 MET 28 3HE MET 28 -5.935 8.612 -0.959 159 H ASP 29 H ASP 29 -2.976 4.361 -1.696 160 HA ASP 29 HA ASP 29 -0.651 5.116 -3.246 161 HB3 ASP 29 2HB ASP 29 0.653 5.664 -1.280 162 HD2 ASP 29 HD ASP 29 -1.341 8.016 0.532 163 H ASP 30 H ASP 30 0.748 3.840 -0.628 164 HA ASP 30 HA ASP 30 -0.210 1.161 -0.766 165 HB3 ASP 30 2HB ASP 30 1.201 0.535 -2.444 166 HD2 ASP 30 HD ASP 30 3.861 1.543 -3.568 167 H TYR 31 H TYR 31 -0.249 0.860 1.478 168 HA TYR 31 HA TYR 31 2.017 1.905 3.019 169 HB3 TYR 31 2HB TYR 31 -0.869 1.803 3.244 170 HD1 TYR 31 HD1 TYR 31 1.274 0.958 6.179 171 HD2 TYR 31 HD2 TYR 31 -2.082 -0.153 3.770 172 HE1 TYR 31 HE1 TYR 31 0.654 -0.843 7.863 173 HE2 TYR 31 HE2 TYR 31 -2.691 -1.951 5.462 174 HH TYR 31 HH TYR 31 -2.232 -2.190 8.077 175 H CYS 32 H CYS 32 3.516 0.527 3.832 176 HA CYS 32 HA CYS 32 3.864 -1.997 3.204 177 HB3 CYS 32 2HB CYS 32 5.602 -1.257 4.438 178 H ASN 33 H ASN 33 3.246 -4.113 3.991 179 HA ASN 33 HA ASN 33 0.942 -4.049 5.772 180 HB3 ASN 33 2HB ASN 33 0.174 -4.469 3.441 181 HD21 ASN 33 1HD2 ASN 33 0.004 -6.069 1.714 182 HD22 ASN 33 2HD2 ASN 33 1.422 -6.902 1.174 183 H GLY 34 H GLY 34 3.815 -4.486 6.350 184 HA2 GLY 34 1HA GLY 34 5.202 -5.929 7.374 185 HA3 GLY 34 2HA GLY 34 3.751 -6.692 7.993 186 H LYS 35 H LYS 35 4.073 -6.560 4.500 187 HA LYS 35 HA LYS 35 5.196 -9.257 4.458 188 HB3 LYS 35 2HB LYS 35 3.220 -9.343 2.512 189 HG3 LYS 35 2HG LYS 35 3.811 -10.568 5.143 190 HD3 LYS 35 2HD LYS 35 1.296 -9.703 5.190 191 HE3 LYS 35 2HE LYS 35 1.173 -11.094 2.805 192 HZ1 LYS 35 1HZ LYS 35 1.143 -13.061 4.751 193 HZ2 LYS 35 2HZ LYS 35 -0.416 -12.906 4.308 194 H THR 36 H THR 36 3.972 -6.473 2.474 195 HA THR 36 HA THR 36 6.526 -6.279 1.175 196 HB THR 36 HB THR 36 5.424 -6.640 -1.130 197 HG1 THR 36 HG1 THR 36 3.504 -7.789 0.773 198 HG21 THR 36 1HG2 THR 36 5.184 -9.146 0.588 199 HG22 THR 36 2HG2 THR 36 5.696 -9.018 -1.112 200 HG23 THR 36 3HG2 THR 36 6.778 -8.466 0.188 201 H CYS 37 H CYS 37 6.660 -4.381 -0.249 202 HA CYS 37 HA CYS 37 4.702 -2.403 0.646 203 HB3 CYS 37 2HB CYS 37 7.209 -2.181 1.177 204 H ASP 38 H ASP 38 3.284 -3.435 -1.115 205 HA ASP 38 HA ASP 38 3.845 -2.038 -3.584 206 HB3 ASP 38 2HB ASP 38 3.061 -4.985 -3.385 207 HD2 ASP 38 HD ASP 38 4.682 -3.678 -6.173 208 H CYS 39 H CYS 39 2.102 -0.813 -2.124 209 HA CYS 39 HA CYS 39 0.024 -0.074 -2.072 210 HB3 CYS 39 2HB CYS 39 -0.033 -1.199 -4.461 211 HA PRO 40 HA PRO 40 -0.626 -3.747 0.745 212 HB3 PRO 40 2HB PRO 40 1.446 -4.286 1.593 213 HG3 PRO 40 2HG PRO 40 3.120 -2.788 1.069 214 HD3 PRO 40 2HD PRO 40 2.249 -1.854 -0.842 215 H ARG 41 H ARG 41 -2.299 -1.731 0.238 216 HA ARG 41 HA ARG 41 -3.556 -1.508 2.693 217 HB3 ARG 41 2HB ARG 41 -2.375 1.137 1.710 218 HG3 ARG 41 2HG ARG 41 -3.961 0.306 4.180 219 HD3 ARG 41 2HD ARG 41 -2.394 2.864 3.603 220 HE ARG 41 HE ARG 41 -4.337 3.748 4.636 221 HH11 ARG 41 2HH2 ARG 41 -3.127 0.961 6.458 222 HH12 ARG 41 1HH2 ARG 41 -4.125 1.274 7.839 223 HH22 ARG 41 1HH ARG 41 -5.603 3.161 7.817 224 H ASN 42 H ASN 42 -4.939 -2.441 0.841 225 HA ASN 42 HA ASN 42 -6.418 -0.236 -0.311 226 HB3 ASN 42 2HB ASN 42 -5.089 -0.891 -2.209 227 HD21 ASN 42 1HD2 ASN 42 -4.253 -2.619 -0.060 228 HD22 ASN 42 2HD2 ASN 42 -3.837 -4.157 -0.738 229 HA PRO 43 HA PRO 43 -8.736 -3.882 1.455 230 HB3 PRO 43 2HB PRO 43 -8.107 -3.933 3.670 231 HG3 PRO 43 2HG PRO 43 -6.843 -2.128 4.354 232 HD3 PRO 43 2HD PRO 43 -5.948 -1.472 2.341 233 H HIS 44 H HIS 44 -9.583 -2.383 -0.540 234 HA HIS 44 HA HIS 44 -12.143 -1.388 0.481 235 HB3 HIS 44 2HB HIS 44 -12.057 0.377 -0.927 236 HD1 HIS 44 HD1 HIS 44 -9.858 -0.010 1.294 237 HD2 HIS 44 HD2 HIS 44 -9.109 1.092 -2.683 238 HE1 HIS 44 HE1 HIS 44 -7.609 1.195 1.297 239 H LYS 45 H LYS 45 -12.621 -1.293 -2.699 240 HA LYS 45 HA LYS 45 -14.469 -3.003 -3.124 241 HB3 LYS 45 2HB LYS 45 -13.569 -3.468 -5.421 242 HG3 LYS 45 2HG LYS 45 -13.044 -0.823 -5.751 243 HD3 LYS 45 2HD LYS 45 -15.700 -0.592 -5.340 244 HE3 LYS 45 2HE LYS 45 -14.013 -1.508 -7.510 245 HZ1 LYS 45 1HZ LYS 45 -16.731 -2.681 -7.594 246 HZ2 LYS 45 2HZ LYS 45 -15.508 -2.933 -8.638 247 H GLY 46 H GLY 46 -11.171 -4.336 -3.837 248 HA2 GLY 46 1HA GLY 46 -11.855 -6.729 -2.284 249 HA3 GLY 46 2HA GLY 46 -11.526 -6.914 -3.996 250 HA PRO 47 HA PRO 47 -7.311 -5.538 -2.992 251 HB3 PRO 47 2HB PRO 47 -7.035 -3.401 -3.802 252 HG3 PRO 47 2HG PRO 47 -8.939 -2.099 -3.749 253 HD3 PRO 47 2HD PRO 47 -10.554 -3.735 -3.768 254 H ALA 48 H ALA 48 -5.652 -4.375 -1.168 255 HA ALA 48 HA ALA 48 -5.802 -4.097 1.276 256 HB1 ALA 48 1HB ALA 48 -7.123 -6.821 0.963 257 HB2 ALA 48 2HB ALA 48 -6.575 -6.145 2.516 258 HB3 ALA 48 3HB ALA 48 -7.864 -5.332 1.597 259 H THR 49 H THR 49 -3.568 -3.918 0.923 260 HA THR 49 HA THR 49 -2.152 -6.501 0.909 261 HB THR 49 HB THR 49 -1.486 -3.912 -0.590 262 HG1 THR 49 HG1 THR 49 -1.583 -6.163 -2.093 263 HG21 THR 49 1HG2 THR 49 -0.010 -6.572 -0.280 264 HG22 THR 49 2HG2 THR 49 0.261 -5.484 -1.663 265 HG23 THR 49 3HG2 THR 49 0.638 -4.935 -0.013 Start of MODEL 11 1 H2 GLU 1 1H GLU 1 11.686 -5.479 1.489 2 HA GLU 1 HA GLU 1 9.915 -3.826 0.230 3 HB3 GLU 1 2HB GLU 1 11.958 -2.364 -0.185 4 HG3 GLU 1 2HG GLU 1 12.002 -3.613 2.591 5 HE2 GLU 1 HE GLU 1 12.742 -0.538 3.828 6 H CYS 2 H CYS 2 10.068 -2.766 -1.952 7 HA CYS 2 HA CYS 2 10.160 -2.822 -4.145 8 HB3 CYS 2 2HB CYS 2 11.985 -4.547 -5.109 9 H GLU 3 H GLU 3 10.773 -6.193 -2.901 10 HA GLU 3 HA GLU 3 8.222 -7.007 -3.836 11 HB3 GLU 3 2HB GLU 3 9.225 -8.875 -5.300 12 HG3 GLU 3 2HG GLU 3 9.754 -6.070 -6.364 13 HE2 GLU 3 HE GLU 3 10.624 -8.931 -7.739 14 H SER 4 H SER 4 9.168 -6.914 -1.262 15 HA SER 4 HA SER 4 8.616 -9.201 -0.156 16 HB3 SER 4 2HB SER 4 11.399 -9.398 -1.275 17 HG SER 4 HG SER 4 12.040 -10.849 0.346 18 H GLY 5 H GLY 5 8.067 -7.251 1.164 19 HA2 GLY 5 1HA GLY 5 9.106 -6.981 3.544 20 HA3 GLY 5 2HA GLY 5 10.311 -6.082 2.644 21 HA PRO 6 HA PRO 6 6.134 -3.786 2.767 22 HB3 PRO 6 2HB PRO 6 4.400 -4.921 3.771 23 HG3 PRO 6 2HG PRO 6 5.041 -6.759 5.009 24 HD3 PRO 6 2HD PRO 6 7.044 -7.254 3.996 25 H CYS 7 H CYS 7 6.064 -1.601 3.120 26 HA CYS 7 HA CYS 7 6.385 0.184 4.566 27 HB3 CYS 7 2HB CYS 7 8.204 0.224 6.219 28 H CYS 8 H CYS 8 6.863 0.134 1.964 29 HA CYS 8 HA CYS 8 8.988 1.836 1.567 30 HB3 CYS 8 2HB CYS 8 10.272 -0.332 2.025 31 H ARG 9 H ARG 9 6.326 1.903 0.907 32 HA ARG 9 HA ARG 9 4.921 1.148 -0.864 33 HB3 ARG 9 2HB ARG 9 4.424 3.365 -1.049 34 HG3 ARG 9 2HG ARG 9 7.012 3.486 0.162 35 HD3 ARG 9 2HD ARG 9 6.752 5.120 -2.334 36 HE ARG 9 HE ARG 9 7.151 6.413 0.247 37 HH11 ARG 9 2HH2 ARG 9 8.127 6.495 -3.158 38 HH12 ARG 9 1HH2 ARG 9 8.564 8.172 -3.121 39 HH22 ARG 9 1HH ARG 9 8.320 9.403 -1.080 40 H ASN 10 H ASN 10 8.004 2.567 -2.209 41 HA ASN 10 HA ASN 10 7.952 0.419 -4.167 42 HB3 ASN 10 2HB ASN 10 7.161 2.790 -5.019 43 HD21 ASN 10 1HD2 ASN 10 8.169 4.195 -3.285 44 HD22 ASN 10 2HD2 ASN 10 9.545 5.147 -3.731 45 H CYS 11 H CYS 11 9.440 0.420 -1.748 46 HA CYS 11 HA CYS 11 11.503 -0.102 -1.134 47 HB3 CYS 11 2HB CYS 11 13.208 -0.467 -2.589 48 H LYS 12 H LYS 12 10.062 2.406 -0.674 49 HA LYS 12 HA LYS 12 12.347 4.033 0.068 50 HB3 LYS 12 2HB LYS 12 10.030 5.301 -1.403 51 HG3 LYS 12 2HG LYS 12 11.832 6.473 0.240 52 HD3 LYS 12 2HD LYS 12 13.478 5.512 -1.851 53 HE3 LYS 12 2HE LYS 12 12.742 8.440 -2.182 54 HZ1 LYS 12 1HZ LYS 12 15.082 7.678 -3.598 55 HZ2 LYS 12 2HZ LYS 12 14.874 8.955 -2.610 56 H PHE 13 H PHE 13 8.839 3.289 0.177 57 HA PHE 13 HA PHE 13 7.523 3.122 1.969 58 HB3 PHE 13 2HB PHE 13 9.642 4.575 3.632 59 HD1 PHE 13 HD1 PHE 13 6.457 3.347 3.550 60 HD2 PHE 13 HD2 PHE 13 10.016 2.942 5.825 61 HE1 PHE 13 HE1 PHE 13 5.107 2.590 5.527 62 HE2 PHE 13 HE2 PHE 13 8.667 2.186 7.802 63 HZ PHE 13 HZ PHE 13 6.229 2.019 7.629 64 H LEU 14 H LEU 14 5.786 4.454 2.229 65 HA LEU 14 HA LEU 14 6.238 7.289 1.784 66 HB3 LEU 14 2HB LEU 14 3.537 6.069 2.142 67 HG LEU 14 HG LEU 14 2.767 7.618 0.613 68 HD11 LEU 14 1HD1 LEU 14 4.184 8.566 2.753 69 HD12 LEU 14 2HD1 LEU 14 4.889 9.494 1.407 70 HD13 LEU 14 3HD1 LEU 14 3.133 9.543 1.698 71 HD21 LEU 14 1HD2 LEU 14 4.361 7.043 -1.173 72 HD22 LEU 14 2HD2 LEU 14 4.100 8.799 -1.037 73 HD23 LEU 14 3HD2 LEU 14 5.591 8.068 -0.394 74 H LYS 15 H LYS 15 3.841 5.627 3.920 75 HA LYS 15 HA LYS 15 4.987 6.311 6.335 76 HB3 LYS 15 2HB LYS 15 4.814 8.639 5.670 77 HG3 LYS 15 2HG LYS 15 2.192 7.763 4.686 78 HD3 LYS 15 2HD LYS 15 2.142 9.490 6.992 79 HE3 LYS 15 2HE LYS 15 2.161 10.934 4.445 80 HZ1 LYS 15 1HZ LYS 15 0.071 11.797 4.416 81 HZ2 LYS 15 2HZ LYS 15 -0.370 10.424 5.170 82 H GLU 16 H GLU 16 4.162 4.152 6.596 83 HA GLU 16 HA GLU 16 2.380 2.674 6.469 84 HB3 GLU 16 2HB GLU 16 1.350 3.028 8.919 85 HG3 GLU 16 2HG GLU 16 4.336 2.549 8.494 86 HE2 GLU 16 HE GLU 16 4.248 3.284 11.050 87 H GLY 17 H GLY 17 1.240 4.083 4.662 88 HA2 GLY 17 1HA GLY 17 -1.466 4.053 5.032 89 HA3 GLY 17 2HA GLY 17 -0.992 5.671 5.508 90 H THR 18 H THR 18 -0.255 3.271 2.870 91 HA THR 18 HA THR 18 -0.487 5.514 0.972 92 HB THR 18 HB THR 18 1.234 3.196 0.233 93 HG1 THR 18 HG1 THR 18 1.695 5.071 2.441 94 HG21 THR 18 1HG2 THR 18 2.090 4.853 -1.084 95 HG22 THR 18 2HG2 THR 18 1.027 6.044 -0.297 96 HG23 THR 18 3HG2 THR 18 2.637 5.701 0.382 97 H ILE 19 H ILE 19 -1.577 2.403 2.026 98 HA ILE 19 HA ILE 19 -2.833 0.832 1.054 99 HB ILE 19 HB ILE 19 -4.611 2.127 1.621 100 HG13 ILE 19 2HG1 ILE 19 -6.047 1.347 0.117 101 HG21 ILE 19 1HG2 ILE 19 -5.158 4.303 0.358 102 HG22 ILE 19 2HG2 ILE 19 -3.792 4.306 1.498 103 HG23 ILE 19 3HG2 ILE 19 -3.489 4.201 -0.252 104 HD11 ILE 19 1HD1 ILE 19 -4.848 3.210 -1.980 105 HD12 ILE 19 2HD1 ILE 19 -6.459 2.455 -2.008 106 HD13 ILE 19 3HD1 ILE 19 -6.086 3.711 -0.803 107 H CYS 20 H CYS 20 -2.552 -0.566 -0.605 108 HA CYS 20 HA CYS 20 -0.946 -0.065 -2.714 109 HB3 CYS 20 2HB CYS 20 -2.946 -2.117 -2.039 110 H LYS 21 H LYS 21 -4.460 -0.697 -3.323 111 HA LYS 21 HA LYS 21 -4.621 1.792 -4.825 112 HB3 LYS 21 2HB LYS 21 -5.715 0.461 -6.719 113 HG3 LYS 21 2HG LYS 21 -2.741 -0.043 -6.255 114 HD3 LYS 21 2HD LYS 21 -3.185 0.788 -8.882 115 HE3 LYS 21 2HE LYS 21 -1.761 -1.149 -7.930 116 HZ1 LYS 21 1HZ LYS 21 -4.242 -2.196 -7.355 117 HZ2 LYS 21 2HZ LYS 21 -3.745 -3.073 -8.634 118 H ARG 22 H ARG 22 -6.187 2.772 -3.626 119 HA ARG 22 HA ARG 22 -8.082 1.450 -2.180 120 HB3 ARG 22 2HB ARG 22 -7.797 4.246 -3.276 121 HG3 ARG 22 2HG ARG 22 -10.312 3.392 -3.341 122 HD3 ARG 22 2HD ARG 22 -10.487 2.390 -1.147 123 HE ARG 22 HE ARG 22 -8.679 3.468 0.093 124 HH11 ARG 22 2HH2 ARG 22 -11.623 5.419 -0.191 125 HH12 ARG 22 1HH2 ARG 22 -11.215 6.452 1.138 126 HH22 ARG 22 1HH ARG 22 -9.161 6.089 2.320 127 H ALA 23 H ALA 23 -9.185 -0.203 -3.348 128 HA ALA 23 HA ALA 23 -10.407 0.400 -5.869 129 HB1 ALA 23 1HB ALA 23 -11.456 -2.000 -5.025 130 HB2 ALA 23 2HB ALA 23 -9.918 -1.817 -5.902 131 HB3 ALA 23 3HB ALA 23 -9.920 -1.941 -4.127 132 H ARG 24 H ARG 24 -11.266 0.495 -2.443 133 HA ARG 24 HA ARG 24 -13.880 0.128 -2.393 134 HB3 ARG 24 2HB ARG 24 -13.380 2.641 -1.020 135 HG3 ARG 24 2HG ARG 24 -13.471 -0.267 -0.089 136 HD3 ARG 24 2HD ARG 24 -13.797 0.587 2.158 137 HE ARG 24 HE ARG 24 -11.364 1.008 0.852 138 HH11 ARG 24 2HH2 ARG 24 -13.071 2.564 3.538 139 HH12 ARG 24 1HH2 ARG 24 -11.617 3.081 4.326 140 HH22 ARG 24 1HH ARG 24 -9.498 2.554 3.340 141 H GLY 25 H GLY 25 -12.203 3.133 -3.535 142 HA2 GLY 25 1HA GLY 25 -14.583 3.799 -5.111 143 HA3 GLY 25 2HA GLY 25 -14.009 4.976 -3.947 144 H ASP 26 H ASP 26 -11.171 4.527 -4.141 145 HA ASP 26 HA ASP 26 -10.440 4.642 -6.869 146 HB3 ASP 26 2HB ASP 26 -9.652 7.163 -5.477 147 HD2 ASP 26 HD ASP 26 -10.582 6.920 -9.378 148 H ASP 27 H ASP 27 -8.505 3.498 -6.718 149 HA ASP 27 HA ASP 27 -7.199 2.828 -4.521 150 HB3 ASP 27 2HB ASP 27 -6.752 2.283 -7.050 151 HD2 ASP 27 HD ASP 27 -3.970 4.199 -5.938 152 H MET 28 H MET 28 -5.154 3.617 -3.464 153 HA MET 28 HA MET 28 -4.965 6.519 -3.673 154 HB3 MET 28 2HB MET 28 -3.971 6.276 -1.304 155 HG3 MET 28 2HG MET 28 -6.172 5.713 -0.216 156 HE1 MET 28 1HE MET 28 -5.216 8.838 -0.227 157 HE2 MET 28 2HE MET 28 -6.961 9.092 0.017 158 HE3 MET 28 3HE MET 28 -6.182 7.612 0.630 159 H ASP 29 H ASP 29 -2.639 4.413 -1.971 160 HA ASP 29 HA ASP 29 -0.741 4.940 -4.113 161 HB3 ASP 29 2HB ASP 29 1.012 5.239 -2.301 162 HD2 ASP 29 HD ASP 29 0.571 8.446 -1.387 163 H ASP 30 H ASP 30 0.684 3.649 -1.267 164 HA ASP 30 HA ASP 30 -0.182 1.033 -1.312 165 HB3 ASP 30 2HB ASP 30 0.767 0.485 -3.365 166 HD2 ASP 30 HD ASP 30 3.889 0.807 -3.427 167 H TYR 31 H TYR 31 0.241 0.809 0.899 168 HA TYR 31 HA TYR 31 2.872 1.713 1.851 169 HB3 TYR 31 2HB TYR 31 0.197 2.230 2.637 170 HD1 TYR 31 HD2 TYR 31 -0.640 -0.321 2.766 171 HD2 TYR 31 HD1 TYR 31 1.694 1.661 5.755 172 HE1 TYR 31 HE2 TYR 31 -1.449 -1.984 4.512 173 HE2 TYR 31 HE1 TYR 31 0.878 -0.009 7.489 174 HH TYR 31 HH TYR 31 -1.252 -1.472 7.715 175 H CYS 32 H CYS 32 3.309 0.396 4.109 176 HA CYS 32 HA CYS 32 3.542 -2.334 3.191 177 HB3 CYS 32 2HB CYS 32 5.494 -1.097 4.100 178 H ASN 33 H ASN 33 1.973 -3.803 3.747 179 HA ASN 33 HA ASN 33 0.280 -3.121 5.988 180 HB3 ASN 33 2HB ASN 33 -0.650 -3.817 3.689 181 HD21 ASN 33 1HD2 ASN 33 -1.798 -6.097 3.113 182 HD22 ASN 33 2HD2 ASN 33 -0.672 -7.359 2.739 183 H GLY 34 H GLY 34 3.167 -4.277 6.038 184 HA2 GLY 34 1HA GLY 34 4.214 -5.599 7.572 185 HA3 GLY 34 2HA GLY 34 2.674 -6.276 8.061 186 H LYS 35 H LYS 35 2.752 -6.366 4.682 187 HA LYS 35 HA LYS 35 3.809 -9.107 4.748 188 HB3 LYS 35 2HB LYS 35 1.886 -8.292 2.628 189 HG3 LYS 35 2HG LYS 35 1.928 -10.745 4.428 190 HD3 LYS 35 2HD LYS 35 1.240 -10.773 1.504 191 HE3 LYS 35 2HE LYS 35 -0.730 -12.061 3.035 192 HZ1 LYS 35 1HZ LYS 35 1.223 -12.736 1.175 193 HZ2 LYS 35 2HZ LYS 35 1.398 -13.809 2.388 194 H THR 36 H THR 36 3.199 -6.332 2.474 195 HA THR 36 HA THR 36 5.946 -6.659 1.523 196 HB THR 36 HB THR 36 3.676 -6.343 -0.466 197 HG1 THR 36 HG1 THR 36 4.844 -8.798 0.641 198 HG21 THR 36 1HG2 THR 36 6.562 -7.161 -0.451 199 HG22 THR 36 2HG2 THR 36 5.490 -8.119 -1.500 200 HG23 THR 36 3HG2 THR 36 5.623 -6.359 -1.732 201 H CYS 37 H CYS 37 6.221 -4.773 -0.303 202 HA CYS 37 HA CYS 37 5.042 -2.383 0.907 203 HB3 CYS 37 2HB CYS 37 7.556 -2.987 1.442 204 H ASP 38 H ASP 38 4.010 -3.846 -1.332 205 HA ASP 38 HA ASP 38 5.017 -2.407 -3.629 206 HB3 ASP 38 2HB ASP 38 3.122 -3.941 -4.720 207 HD2 ASP 38 HD ASP 38 5.518 -3.454 -5.400 208 H CYS 39 H CYS 39 1.938 -3.176 -1.847 209 HA CYS 39 HA CYS 39 0.961 -0.579 -2.031 210 HB3 CYS 39 2HB CYS 39 0.739 -1.155 -4.438 211 HA PRO 40 HA PRO 40 -1.056 -4.016 0.444 212 HB3 PRO 40 2HB PRO 40 0.629 -5.359 1.258 213 HG3 PRO 40 2HG PRO 40 2.760 -4.551 0.905 214 HD3 PRO 40 2HD PRO 40 2.387 -3.197 -0.914 215 H ARG 41 H ARG 41 -2.698 -2.466 0.585 216 HA ARG 41 HA ARG 41 -3.252 -1.658 3.075 217 HB3 ARG 41 2HB ARG 41 -1.717 0.508 1.566 218 HG3 ARG 41 2HG ARG 41 -3.896 0.727 3.577 219 HD3 ARG 41 2HD ARG 41 -2.470 2.906 4.361 220 HE ARG 41 HE ARG 41 -1.941 0.386 5.838 221 HH11 ARG 41 2HH2 ARG 41 -4.091 3.153 5.313 222 HH12 ARG 41 1HH2 ARG 41 -4.936 2.938 6.808 223 HH22 ARG 41 1HH ARG 41 -4.313 1.138 8.262 224 H ASN 42 H ASN 42 -4.290 -2.497 0.384 225 HA ASN 42 HA ASN 42 -6.128 -0.281 -0.072 226 HB3 ASN 42 2HB ASN 42 -5.050 -0.701 -2.155 227 HD21 ASN 42 1HD2 ASN 42 -4.171 -2.717 -0.062 228 HD22 ASN 42 2HD2 ASN 42 -3.583 -4.079 -0.955 229 HA PRO 43 HA PRO 43 -8.293 -4.050 1.591 230 HB3 PRO 43 2HB PRO 43 -7.553 -4.174 3.768 231 HG3 PRO 43 2HG PRO 43 -6.299 -2.366 4.463 232 HD3 PRO 43 2HD PRO 43 -5.522 -1.606 2.437 233 H HIS 44 H HIS 44 -9.228 -2.366 -0.275 234 HA HIS 44 HA HIS 44 -11.666 -1.291 0.889 235 HB3 HIS 44 2HB HIS 44 -11.828 0.097 -0.957 236 HD1 HIS 44 HD1 HIS 44 -8.962 -0.751 0.985 237 HD2 HIS 44 HD2 HIS 44 -9.611 1.744 -2.325 238 HE1 HIS 44 HE1 HIS 44 -7.008 0.889 0.931 239 H LYS 45 H LYS 45 -12.620 -1.663 -2.151 240 HA LYS 45 HA LYS 45 -14.561 -3.386 -1.908 241 HB3 LYS 45 2HB LYS 45 -14.235 -4.021 -4.310 242 HG3 LYS 45 2HG LYS 45 -13.659 -1.265 -4.710 243 HD3 LYS 45 2HD LYS 45 -16.380 -2.498 -4.092 244 HE3 LYS 45 2HE LYS 45 -16.300 -0.717 -6.360 245 HZ1 LYS 45 1HZ LYS 45 -17.494 0.411 -4.072 246 HZ2 LYS 45 2HZ LYS 45 -18.239 -0.254 -5.358 247 H GLY 46 H GLY 46 -11.553 -4.774 -3.370 248 HA2 GLY 46 1HA GLY 46 -11.676 -6.991 -1.461 249 HA3 GLY 46 2HA GLY 46 -11.902 -7.360 -3.159 250 HA PRO 47 HA PRO 47 -7.591 -5.774 -3.490 251 HB3 PRO 47 2HB PRO 47 -7.557 -3.524 -3.980 252 HG3 PRO 47 2HG PRO 47 -9.325 -2.323 -3.112 253 HD3 PRO 47 2HD PRO 47 -10.885 -3.997 -2.890 254 H ALA 48 H ALA 48 -5.684 -4.352 -1.731 255 HA ALA 48 HA ALA 48 -4.907 -4.626 0.449 256 HB1 ALA 48 1HB ALA 48 -7.024 -5.988 0.980 257 HB2 ALA 48 2HB ALA 48 -6.100 -7.415 0.456 258 HB3 ALA 48 3HB ALA 48 -5.535 -6.449 1.840 259 H THR 49 H THR 49 -2.737 -4.981 0.483 260 HA THR 49 HA THR 49 -1.730 -7.304 -1.005 261 HB THR 49 HB THR 49 -1.141 -4.360 -1.379 262 HG1 THR 49 HG1 THR 49 -0.834 -5.583 -3.588 263 HG21 THR 49 1HG2 THR 49 1.055 -5.619 -0.736 264 HG22 THR 49 2HG2 THR 49 0.798 -6.557 -2.227 265 HG23 THR 49 3HG2 THR 49 1.031 -4.795 -2.313 Start of MODEL 12 1 H2 GLU 1 1H GLU 1 7.034 -3.615 -4.491 2 HA GLU 1 HA GLU 1 8.437 -3.667 -1.934 3 HB3 GLU 1 2HB GLU 1 6.468 -5.173 -1.896 4 HG3 GLU 1 2HG GLU 1 7.875 -6.689 -4.141 5 HE2 GLU 1 HE GLU 1 4.493 -8.056 -4.209 6 H CYS 2 H CYS 2 10.567 -3.338 -2.473 7 HA CYS 2 HA CYS 2 11.541 -4.678 -4.874 8 HB3 CYS 2 2HB CYS 2 13.474 -3.182 -4.700 9 H GLU 3 H GLU 3 10.873 -6.094 -2.349 10 HA GLU 3 HA GLU 3 11.738 -7.786 -1.265 11 HB3 GLU 3 2HB GLU 3 14.599 -7.553 -1.656 12 HG3 GLU 3 2HG GLU 3 12.612 -9.424 -3.019 13 HE2 GLU 3 HE GLU 3 16.529 -9.737 -2.460 14 H SER 4 H SER 4 11.037 -6.006 0.379 15 HA SER 4 HA SER 4 13.028 -5.942 2.359 16 HB3 SER 4 2HB SER 4 12.326 -3.342 0.946 17 HG SER 4 HG SER 4 12.712 -3.724 3.623 18 H GLY 5 H GLY 5 10.327 -6.955 1.978 19 HA2 GLY 5 1HA GLY 5 8.325 -7.033 2.997 20 HA3 GLY 5 2HA GLY 5 9.125 -6.297 4.371 21 HA PRO 6 HA PRO 6 6.075 -3.337 2.611 22 HB3 PRO 6 2HB PRO 6 4.057 -4.321 3.123 23 HG3 PRO 6 2HG PRO 6 4.209 -6.178 4.484 24 HD3 PRO 6 2HD PRO 6 6.364 -6.840 4.032 25 H CYS 7 H CYS 7 5.120 -1.256 3.684 26 HA CYS 7 HA CYS 7 5.448 0.498 4.993 27 HB3 CYS 7 2HB CYS 7 7.404 0.141 6.830 28 H CYS 8 H CYS 8 6.761 -0.041 2.471 29 HA CYS 8 HA CYS 8 8.878 1.869 2.695 30 HB3 CYS 8 2HB CYS 8 10.254 0.028 3.190 31 H ARG 9 H ARG 9 6.222 1.780 1.539 32 HA ARG 9 HA ARG 9 5.287 1.297 -0.566 33 HB3 ARG 9 2HB ARG 9 6.128 3.937 0.256 34 HG3 ARG 9 2HG ARG 9 5.644 4.795 -2.271 35 HD3 ARG 9 2HD ARG 9 8.252 4.854 -2.518 36 HE ARG 9 HE ARG 9 6.848 6.083 -0.169 37 HH11 ARG 9 2HH2 ARG 9 9.108 6.340 -2.886 38 HH12 ARG 9 1HH2 ARG 9 9.341 8.044 -2.692 39 HH22 ARG 9 1HH ARG 9 8.183 9.196 -0.937 40 H ASN 10 H ASN 10 5.959 -0.001 -2.251 41 HA ASN 10 HA ASN 10 7.027 -0.696 -4.005 42 HB3 ASN 10 2HB ASN 10 6.885 1.849 -4.624 43 HD21 ASN 10 1HD2 ASN 10 7.738 3.762 -4.358 44 HD22 ASN 10 2HD2 ASN 10 9.343 4.129 -3.819 45 H CYS 11 H CYS 11 9.087 1.313 -1.801 46 HA CYS 11 HA CYS 11 10.641 -0.470 -0.710 47 HB3 CYS 11 2HB CYS 11 11.368 -1.642 -2.569 48 H LYS 12 H LYS 12 9.725 2.104 -0.229 49 HA LYS 12 HA LYS 12 12.215 3.473 0.267 50 HB3 LYS 12 2HB LYS 12 10.156 5.209 -1.001 51 HG3 LYS 12 2HG LYS 12 12.837 5.427 -0.126 52 HD3 LYS 12 2HD LYS 12 12.634 4.931 -3.071 53 HE3 LYS 12 2HE LYS 12 14.667 6.511 -3.356 54 HZ1 LYS 12 1HZ LYS 12 11.925 7.022 -3.546 55 HZ2 LYS 12 2HZ LYS 12 12.604 8.386 -2.970 56 H PHE 13 H PHE 13 8.680 3.103 0.577 57 HA PHE 13 HA PHE 13 7.519 3.139 2.506 58 HB3 PHE 13 2HB PHE 13 9.603 4.941 3.804 59 HD1 PHE 13 HD1 PHE 13 6.545 3.803 4.178 60 HD2 PHE 13 HD2 PHE 13 10.317 3.197 6.026 61 HE1 PHE 13 HE1 PHE 13 5.395 3.143 6.308 62 HE2 PHE 13 HE2 PHE 13 9.166 2.536 8.157 63 HZ PHE 13 HZ PHE 13 6.718 2.517 8.272 64 H LEU 14 H LEU 14 5.749 4.427 2.365 65 HA LEU 14 HA LEU 14 6.174 7.216 1.644 66 HB3 LEU 14 2HB LEU 14 3.515 5.840 1.828 67 HG LEU 14 HG LEU 14 3.148 7.162 -0.315 68 HD11 LEU 14 1HD1 LEU 14 2.957 7.935 2.437 69 HD12 LEU 14 2HD1 LEU 14 3.319 9.371 1.449 70 HD13 LEU 14 3HD1 LEU 14 1.902 8.363 1.068 71 HD21 LEU 14 1HD2 LEU 14 4.561 8.846 -0.991 72 HD22 LEU 14 2HD2 LEU 14 5.327 9.002 0.609 73 HD23 LEU 14 3HD2 LEU 14 5.726 7.619 -0.439 74 H LYS 15 H LYS 15 4.047 5.340 3.926 75 HA LYS 15 HA LYS 15 4.798 6.429 6.252 76 HB3 LYS 15 2HB LYS 15 4.486 8.671 5.251 77 HG3 LYS 15 2HG LYS 15 1.534 8.544 5.488 78 HD3 LYS 15 2HD LYS 15 1.944 9.673 3.116 79 HE3 LYS 15 2HE LYS 15 3.109 11.220 5.442 80 HZ1 LYS 15 1HZ LYS 15 1.453 12.836 4.472 81 HZ2 LYS 15 2HZ LYS 15 2.676 12.457 3.466 82 H GLU 16 H GLU 16 4.055 4.533 7.131 83 HA GLU 16 HA GLU 16 2.410 2.809 6.909 84 HB3 GLU 16 2HB GLU 16 1.111 3.549 9.196 85 HG3 GLU 16 2HG GLU 16 4.080 2.846 9.050 86 HE2 GLU 16 HE GLU 16 4.448 2.561 12.018 87 H GLY 17 H GLY 17 1.093 3.181 5.002 88 HA2 GLY 17 1HA GLY 17 -1.439 3.122 4.933 89 HA3 GLY 17 2HA GLY 17 -1.341 4.779 5.494 90 H THR 18 H THR 18 -1.121 2.636 2.752 91 HA THR 18 HA THR 18 -1.291 4.773 0.923 92 HB THR 18 HB THR 18 1.209 3.455 0.189 93 HG1 THR 18 HG1 THR 18 2.102 4.867 2.218 94 HG21 THR 18 1HG2 THR 18 0.178 5.904 -0.274 95 HG22 THR 18 2HG2 THR 18 1.072 6.293 1.216 96 HG23 THR 18 3HG2 THR 18 1.938 5.650 -0.200 97 H ILE 19 H ILE 19 -3.147 3.540 0.380 98 HA ILE 19 HA ILE 19 -3.455 0.967 -0.102 99 HB ILE 19 HB ILE 19 -4.903 3.103 -0.641 100 HG13 ILE 19 2HG1 ILE 19 -6.240 1.301 -0.498 101 HG21 ILE 19 1HG2 ILE 19 -4.083 2.235 -3.422 102 HG22 ILE 19 2HG2 ILE 19 -5.240 3.512 -2.978 103 HG23 ILE 19 3HG2 ILE 19 -3.509 3.715 -2.616 104 HD11 ILE 19 1HD1 ILE 19 -6.783 2.365 -2.766 105 HD12 ILE 19 2HD1 ILE 19 -5.825 1.061 -3.507 106 HD13 ILE 19 3HD1 ILE 19 -7.290 0.669 -2.574 107 H CYS 20 H CYS 20 -3.564 -0.188 -2.389 108 HA CYS 20 HA CYS 20 -0.958 0.268 -3.649 109 HB3 CYS 20 2HB CYS 20 -2.348 -2.393 -3.288 110 H LYS 21 H LYS 21 -4.340 0.391 -3.904 111 HA LYS 21 HA LYS 21 -4.147 0.541 -6.788 112 HB3 LYS 21 2HB LYS 21 -6.466 -0.887 -6.596 113 HG3 LYS 21 2HG LYS 21 -3.882 -1.170 -7.742 114 HD3 LYS 21 2HD LYS 21 -4.577 -3.392 -5.869 115 HE3 LYS 21 2HE LYS 21 -5.074 -4.332 -8.192 116 HZ1 LYS 21 1HZ LYS 21 -3.594 -3.608 -9.730 117 HZ2 LYS 21 2HZ LYS 21 -2.440 -3.231 -8.646 118 H ARG 22 H ARG 22 -7.128 0.130 -4.857 119 HA ARG 22 HA ARG 22 -7.872 2.231 -3.779 120 HB3 ARG 22 2HB ARG 22 -7.374 3.103 -6.641 121 HG3 ARG 22 2HG ARG 22 -9.456 4.064 -6.665 122 HD3 ARG 22 2HD ARG 22 -9.696 2.804 -4.195 123 HE ARG 22 HE ARG 22 -9.584 4.497 -2.601 124 HH11 ARG 22 2HH2 ARG 22 -10.845 5.900 -5.600 125 HH12 ARG 22 1HH2 ARG 22 -11.087 7.470 -4.911 126 HH22 ARG 22 1HH ARG 22 -10.527 7.840 -2.610 127 H ALA 23 H ALA 23 -9.435 0.472 -3.428 128 HA ALA 23 HA ALA 23 -11.436 0.238 -5.563 129 HB1 ALA 23 1HB ALA 23 -11.085 -1.573 -3.154 130 HB2 ALA 23 2HB ALA 23 -11.954 -1.908 -4.671 131 HB3 ALA 23 3HB ALA 23 -10.177 -1.812 -4.666 132 H ARG 24 H ARG 24 -12.798 -0.993 -2.817 133 HA ARG 24 HA ARG 24 -14.774 -0.152 -2.064 134 HB3 ARG 24 2HB ARG 24 -12.468 1.055 -0.467 135 HG3 ARG 24 2HG ARG 24 -14.902 0.579 1.069 136 HD3 ARG 24 2HD ARG 24 -14.241 2.525 2.150 137 HE ARG 24 HE ARG 24 -11.660 2.314 0.702 138 HH11 ARG 24 2HH2 ARG 24 -13.678 1.205 3.395 139 HH12 ARG 24 1HH2 ARG 24 -12.350 0.519 4.270 140 HH22 ARG 24 1HH ARG 24 -10.142 0.651 3.346 141 H GLY 25 H GLY 25 -12.689 2.740 -1.415 142 HA2 GLY 25 1HA GLY 25 -13.858 4.406 -3.381 143 HA3 GLY 25 2HA GLY 25 -14.689 4.621 -1.854 144 H ASP 26 H ASP 26 -12.082 3.800 -0.382 145 HA ASP 26 HA ASP 26 -10.827 6.409 -0.697 146 HB3 ASP 26 2HB ASP 26 -10.064 5.058 1.752 147 HD2 ASP 26 HD ASP 26 -12.892 6.674 1.883 148 H ASP 27 H ASP 27 -8.897 6.161 -1.844 149 HA ASP 27 HA ASP 27 -7.392 3.725 -1.298 150 HB3 ASP 27 2HB ASP 27 -8.283 4.227 -3.689 151 HD2 ASP 27 HD ASP 27 -8.472 6.800 -4.211 152 H MET 28 H MET 28 -4.874 4.362 -2.167 153 HA MET 28 HA MET 28 -4.228 6.999 -1.179 154 HB3 MET 28 2HB MET 28 -2.405 5.971 0.285 155 HG3 MET 28 2HG MET 28 -4.367 4.661 1.755 156 HE1 MET 28 1HE MET 28 -5.199 7.913 0.456 157 HE2 MET 28 2HE MET 28 -5.059 9.007 1.853 158 HE3 MET 28 3HE MET 28 -3.690 8.817 0.731 159 H ASP 29 H ASP 29 -1.647 4.666 -1.197 160 HA ASP 29 HA ASP 29 -1.099 5.148 -3.989 161 HB3 ASP 29 2HB ASP 29 1.280 5.476 -2.240 162 HD2 ASP 29 HD ASP 29 2.364 7.910 -4.452 163 H ASP 30 H ASP 30 1.247 4.234 -1.419 164 HA ASP 30 HA ASP 30 0.771 1.445 -1.845 165 HB3 ASP 30 2HB ASP 30 2.949 0.899 -2.696 166 HD2 ASP 30 HD ASP 30 3.618 1.045 -4.678 167 H TYR 31 H TYR 31 0.667 0.912 0.354 168 HA TYR 31 HA TYR 31 2.769 2.028 2.084 169 HB3 TYR 31 2HB TYR 31 -0.088 2.051 2.165 170 HD1 TYR 31 HD2 TYR 31 -0.655 -0.495 1.968 171 HD2 TYR 31 HD1 TYR 31 0.935 1.327 5.496 172 HE1 TYR 31 HE2 TYR 31 -1.522 -2.432 3.367 173 HE2 TYR 31 HE1 TYR 31 0.063 -0.616 6.884 174 HH TYR 31 HH TYR 31 -2.038 -2.349 6.433 175 H CYS 32 H CYS 32 2.928 0.493 4.187 176 HA CYS 32 HA CYS 32 4.121 -1.842 3.279 177 HB3 CYS 32 2HB CYS 32 5.017 -1.583 5.282 178 H ASN 33 H ASN 33 2.761 -3.424 5.649 179 HA ASN 33 HA ASN 33 0.240 -3.905 5.538 180 HB3 ASN 33 2HB ASN 33 1.380 -5.195 3.002 181 HD21 ASN 33 1HD2 ASN 33 0.152 -6.680 1.996 182 HD22 ASN 33 2HD2 ASN 33 -1.278 -7.403 2.653 183 H GLY 34 H GLY 34 3.190 -4.610 6.399 184 HA2 GLY 34 1HA GLY 34 4.178 -6.235 7.599 185 HA3 GLY 34 2HA GLY 34 2.617 -7.017 7.741 186 H LYS 35 H LYS 35 2.611 -6.867 4.550 187 HA LYS 35 HA LYS 35 3.951 -9.443 4.288 188 HB3 LYS 35 2HB LYS 35 2.508 -8.709 1.936 189 HG3 LYS 35 2HG LYS 35 0.967 -10.584 2.963 190 HD3 LYS 35 2HD LYS 35 3.922 -10.982 2.316 191 HE3 LYS 35 2HE LYS 35 2.280 -13.286 1.727 192 HZ1 LYS 35 1HZ LYS 35 4.587 -12.762 3.512 193 HZ2 LYS 35 2HZ LYS 35 3.956 -14.253 3.346 194 H THR 36 H THR 36 3.492 -6.510 2.187 195 HA THR 36 HA THR 36 6.340 -6.280 1.846 196 HB THR 36 HB THR 36 6.097 -6.598 -0.692 197 HG1 THR 36 HG1 THR 36 4.090 -8.000 -1.073 198 HG21 THR 36 1HG2 THR 36 6.958 -8.468 0.848 199 HG22 THR 36 2HG2 THR 36 5.288 -9.080 0.903 200 HG23 THR 36 3HG2 THR 36 6.168 -9.034 -0.644 201 H CYS 37 H CYS 37 6.974 -4.291 0.896 202 HA CYS 37 HA CYS 37 4.931 -2.296 1.226 203 HB3 CYS 37 2HB CYS 37 7.096 -1.886 2.200 204 H ASP 38 H ASP 38 4.060 -3.827 -0.825 205 HA ASP 38 HA ASP 38 5.114 -2.691 -3.265 206 HB3 ASP 38 2HB ASP 38 2.860 -4.720 -3.009 207 HD2 ASP 38 HD ASP 38 2.560 -3.413 -5.230 208 H CYS 39 H CYS 39 3.045 -1.694 -0.933 209 HA CYS 39 HA CYS 39 1.666 0.100 -1.117 210 HB3 CYS 39 2HB CYS 39 2.220 0.314 -3.560 211 HA PRO 40 HA PRO 40 -1.229 -3.588 -0.776 212 HB3 PRO 40 2HB PRO 40 0.022 -5.427 -0.181 213 HG3 PRO 40 2HG PRO 40 2.217 -4.966 0.357 214 HD3 PRO 40 2HD PRO 40 2.516 -3.002 -0.798 215 H ARG 41 H ARG 41 -2.179 -1.340 -0.412 216 HA ARG 41 HA ARG 41 -3.163 -1.466 2.304 217 HB3 ARG 41 2HB ARG 41 -1.821 0.913 0.974 218 HG3 ARG 41 2HG ARG 41 -4.288 0.985 2.533 219 HD3 ARG 41 2HD ARG 41 -2.718 3.053 3.767 220 HE ARG 41 HE ARG 41 -3.867 0.648 5.130 221 HH11 ARG 41 2HH2 ARG 41 -4.026 4.105 4.367 222 HH12 ARG 41 1HH2 ARG 41 -5.296 4.423 5.501 223 HH22 ARG 41 1HH ARG 41 -6.171 2.624 6.820 224 H ASN 42 H ASN 42 -4.384 -2.355 -0.149 225 HA ASN 42 HA ASN 42 -6.326 -0.236 -0.616 226 HB3 ASN 42 2HB ASN 42 -5.797 -0.745 -2.799 227 HD21 ASN 42 1HD2 ASN 42 -3.677 -1.451 -1.112 228 HD22 ASN 42 2HD2 ASN 42 -2.814 -2.791 -1.791 229 HA PRO 43 HA PRO 43 -8.278 -3.801 1.619 230 HB3 PRO 43 2HB PRO 43 -7.453 -3.560 3.755 231 HG3 PRO 43 2HG PRO 43 -6.265 -1.617 4.114 232 HD3 PRO 43 2HD PRO 43 -5.600 -1.141 1.966 233 H HIS 44 H HIS 44 -9.099 -1.363 -0.071 234 HA HIS 44 HA HIS 44 -11.623 -0.660 0.937 235 HB3 HIS 44 2HB HIS 44 -11.843 0.621 -0.965 236 HD1 HIS 44 HD1 HIS 44 -8.870 -0.154 0.843 237 HD2 HIS 44 HD2 HIS 44 -9.696 2.147 -2.567 238 HE1 HIS 44 HE1 HIS 44 -6.901 1.445 0.566 239 H LYS 45 H LYS 45 -12.971 -1.119 -1.789 240 HA LYS 45 HA LYS 45 -14.760 -2.885 -1.423 241 HB3 LYS 45 2HB LYS 45 -14.457 -3.728 -3.820 242 HG3 LYS 45 2HG LYS 45 -14.176 -0.768 -3.945 243 HD3 LYS 45 2HD LYS 45 -16.639 -1.181 -4.780 244 HE3 LYS 45 2HE LYS 45 -15.746 -2.081 -6.993 245 HZ1 LYS 45 1HZ LYS 45 -14.004 0.033 -5.864 246 HZ2 LYS 45 2HZ LYS 45 -14.501 -0.120 -7.407 247 H GLY 46 H GLY 46 -11.541 -4.123 -2.585 248 HA2 GLY 46 1HA GLY 46 -11.266 -6.098 -0.646 249 HA3 GLY 46 2HA GLY 46 -12.152 -6.818 -1.975 250 HA PRO 47 HA PRO 47 -8.235 -5.608 -4.182 251 HB3 PRO 47 2HB PRO 47 -8.116 -3.370 -4.709 252 HG3 PRO 47 2HG PRO 47 -9.240 -1.977 -3.256 253 HD3 PRO 47 2HD PRO 47 -10.785 -3.445 -2.395 254 H ALA 48 H ALA 48 -6.257 -3.871 -2.050 255 HA ALA 48 HA ALA 48 -4.695 -4.490 -0.596 256 HB1 ALA 48 1HB ALA 48 -5.006 -6.340 0.779 257 HB2 ALA 48 2HB ALA 48 -6.659 -6.084 0.171 258 HB3 ALA 48 3HB ALA 48 -5.634 -7.351 -0.544 259 H THR 49 H THR 49 -2.542 -5.225 -0.796 260 HA THR 49 HA THR 49 -2.020 -6.990 -3.086 261 HB THR 49 HB THR 49 -1.358 -4.121 -2.738 262 HG1 THR 49 HG1 THR 49 -0.831 -4.802 -5.123 263 HG21 THR 49 1HG2 THR 49 0.846 -4.759 -4.158 264 HG22 THR 49 2HG2 THR 49 0.918 -4.570 -2.389 265 HG23 THR 49 3HG2 THR 49 0.809 -6.195 -3.107 Start of MODEL 13 1 H2 GLU 1 1H GLU 1 10.675 -5.234 1.597 2 HA GLU 1 HA GLU 1 9.422 -3.182 1.304 3 HB3 GLU 1 2HB GLU 1 9.349 -2.047 3.308 4 HG3 GLU 1 2HG GLU 1 12.085 -1.900 4.228 5 HE2 GLU 1 HE GLU 1 9.507 -1.641 6.563 6 H CYS 2 H CYS 2 10.425 -3.720 -0.736 7 HA CYS 2 HA CYS 2 11.657 -2.487 -2.320 8 HB3 CYS 2 2HB CYS 2 13.893 -2.499 -0.283 9 H GLU 3 H GLU 3 10.918 -5.200 -1.855 10 HA GLU 3 HA GLU 3 12.543 -6.526 -3.562 11 HB3 GLU 3 2HB GLU 3 13.203 -7.599 -0.813 12 HG3 GLU 3 2HG GLU 3 13.706 -8.904 -2.924 13 HE2 GLU 3 HE GLU 3 15.800 -7.879 -5.395 14 H SER 4 H SER 4 10.214 -6.382 -0.970 15 HA SER 4 HA SER 4 8.320 -7.829 -2.041 16 HB3 SER 4 2HB SER 4 10.401 -9.694 -0.945 17 HG SER 4 HG SER 4 8.918 -11.232 -0.319 18 H GLY 5 H GLY 5 10.098 -6.664 0.653 19 HA2 GLY 5 1HA GLY 5 8.199 -7.409 2.700 20 HA3 GLY 5 2HA GLY 5 9.606 -6.377 2.861 21 HA PRO 6 HA PRO 6 5.650 -3.921 2.277 22 HB3 PRO 6 2HB PRO 6 3.982 -4.903 3.524 23 HG3 PRO 6 2HG PRO 6 4.691 -6.599 4.917 24 HD3 PRO 6 2HD PRO 6 6.613 -7.242 3.831 25 H CYS 7 H CYS 7 5.276 -1.682 2.794 26 HA CYS 7 HA CYS 7 5.829 0.238 3.812 27 HB3 CYS 7 2HB CYS 7 8.214 0.018 5.160 28 H CYS 8 H CYS 8 6.218 0.089 1.269 29 HA CYS 8 HA CYS 8 8.366 1.634 0.640 30 HB3 CYS 8 2HB CYS 8 9.465 -0.736 1.259 31 H ARG 9 H ARG 9 6.928 2.634 -0.787 32 HA ARG 9 HA ARG 9 5.053 1.341 -2.278 33 HB3 ARG 9 2HB ARG 9 5.449 3.510 -3.832 34 HG3 ARG 9 2HG ARG 9 3.657 2.995 -1.960 35 HD3 ARG 9 2HD ARG 9 5.239 3.376 -0.046 36 HE ARG 9 HE ARG 9 6.541 5.300 -0.129 37 HH11 ARG 9 2HH2 ARG 9 3.486 5.985 -1.787 38 HH12 ARG 9 1HH2 ARG 9 3.924 7.614 -2.184 39 HH22 ARG 9 1HH ARG 9 6.064 8.453 -1.508 40 H ASN 10 H ASN 10 8.447 1.180 -2.580 41 HA ASN 10 HA ASN 10 8.359 -0.473 -4.765 42 HB3 ASN 10 2HB ASN 10 7.876 1.538 -6.127 43 HD21 ASN 10 1HD2 ASN 10 7.674 3.265 -4.540 44 HD22 ASN 10 2HD2 ASN 10 8.898 4.486 -4.435 45 H CYS 11 H CYS 11 10.057 1.977 -2.786 46 HA CYS 11 HA CYS 11 11.958 0.381 -1.774 47 HB3 CYS 11 2HB CYS 11 13.263 1.736 -4.127 48 H LYS 12 H LYS 12 10.288 2.646 -1.182 49 HA LYS 12 HA LYS 12 12.318 4.428 -0.159 50 HB3 LYS 12 2HB LYS 12 10.962 6.433 -0.995 51 HG3 LYS 12 2HG LYS 12 12.084 6.330 -3.274 52 HD3 LYS 12 2HD LYS 12 14.123 5.253 -1.358 53 HE3 LYS 12 2HE LYS 12 14.026 8.007 -2.620 54 HZ1 LYS 12 1HZ LYS 12 15.845 6.997 -1.059 55 HZ2 LYS 12 2HZ LYS 12 16.364 6.242 -2.404 56 H PHE 13 H PHE 13 8.951 3.269 -0.416 57 HA PHE 13 HA PHE 13 7.371 3.040 1.105 58 HB3 PHE 13 2HB PHE 13 9.917 3.336 2.653 59 HD1 PHE 13 HD1 PHE 13 6.452 2.872 3.947 60 HD2 PHE 13 HD2 PHE 13 10.144 4.929 4.321 61 HE1 PHE 13 HE1 PHE 13 5.631 3.961 6.055 62 HE2 PHE 13 HE2 PHE 13 9.325 6.018 6.429 63 HZ PHE 13 HZ PHE 13 7.078 5.520 7.271 64 H LEU 14 H LEU 14 5.831 4.273 2.431 65 HA LEU 14 HA LEU 14 6.320 7.157 2.171 66 HB3 LEU 14 2HB LEU 14 3.611 5.879 2.374 67 HG LEU 14 HG LEU 14 3.267 7.841 0.615 68 HD11 LEU 14 1HD1 LEU 14 2.782 7.474 3.408 69 HD12 LEU 14 2HD1 LEU 14 3.169 9.187 3.113 70 HD13 LEU 14 3HD1 LEU 14 1.844 8.407 2.216 71 HD21 LEU 14 1HD2 LEU 14 4.605 9.727 0.863 72 HD22 LEU 14 2HD2 LEU 14 5.311 9.153 2.393 73 HD23 LEU 14 3HD2 LEU 14 5.780 8.389 0.854 74 H LYS 15 H LYS 15 3.600 5.883 4.003 75 HA LYS 15 HA LYS 15 4.930 5.785 6.500 76 HB3 LYS 15 2HB LYS 15 4.947 7.918 7.113 77 HG3 LYS 15 2HG LYS 15 3.272 9.208 5.091 78 HD3 LYS 15 2HD LYS 15 6.306 9.203 5.405 79 HE3 LYS 15 2HE LYS 15 5.100 11.765 4.828 80 HZ1 LYS 15 1HZ LYS 15 7.156 10.044 3.816 81 HZ2 LYS 15 2HZ LYS 15 6.421 10.857 2.613 82 H GLU 16 H GLU 16 3.778 3.725 6.233 83 HA GLU 16 HA GLU 16 1.846 2.538 5.999 84 HB3 GLU 16 2HB GLU 16 0.833 2.521 8.412 85 HG3 GLU 16 2HG GLU 16 3.839 2.146 8.005 86 HE2 GLU 16 HE GLU 16 3.273 -0.516 10.224 87 H GLY 17 H GLY 17 0.123 3.048 4.704 88 HA2 GLY 17 1HA GLY 17 -2.267 3.770 5.184 89 HA3 GLY 17 2HA GLY 17 -1.556 5.341 5.500 90 H THR 18 H THR 18 0.366 3.791 3.172 91 HA THR 18 HA THR 18 -0.481 5.566 1.126 92 HB THR 18 HB THR 18 1.188 3.238 0.360 93 HG1 THR 18 HG1 THR 18 1.782 5.035 2.606 94 HG21 THR 18 1HG2 THR 18 2.179 4.912 -0.834 95 HG22 THR 18 2HG2 THR 18 1.076 6.088 -0.082 96 HG23 THR 18 3HG2 THR 18 2.640 5.719 0.683 97 H ILE 19 H ILE 19 -1.740 2.582 2.253 98 HA ILE 19 HA ILE 19 -2.932 0.961 1.221 99 HB ILE 19 HB ILE 19 -4.698 2.190 1.932 100 HG13 ILE 19 2HG1 ILE 19 -6.160 1.450 0.435 101 HG21 ILE 19 1HG2 ILE 19 -3.500 4.388 0.319 102 HG22 ILE 19 2HG2 ILE 19 -5.252 4.446 0.624 103 HG23 ILE 19 3HG2 ILE 19 -4.114 4.385 1.990 104 HD11 ILE 19 1HD1 ILE 19 -6.620 3.733 -0.254 105 HD12 ILE 19 2HD1 ILE 19 -5.161 3.771 -1.272 106 HD13 ILE 19 3HD1 ILE 19 -6.534 2.734 -1.725 107 H CYS 20 H CYS 20 -3.309 -0.257 -0.657 108 HA CYS 20 HA CYS 20 -1.642 0.396 -2.821 109 HB3 CYS 20 2HB CYS 20 -3.596 -1.784 -2.210 110 H LYS 21 H LYS 21 -4.987 -0.674 -3.463 111 HA LYS 21 HA LYS 21 -5.410 1.837 -4.928 112 HB3 LYS 21 2HB LYS 21 -6.889 0.420 -6.415 113 HG3 LYS 21 2HG LYS 21 -3.891 -0.087 -6.208 114 HD3 LYS 21 2HD LYS 21 -5.790 -1.572 -7.753 115 HE3 LYS 21 2HE LYS 21 -4.475 -0.961 -10.020 116 HZ1 LYS 21 1HZ LYS 21 -6.642 0.894 -9.382 117 HZ2 LYS 21 2HZ LYS 21 -6.472 -0.074 -10.680 118 H ARG 22 H ARG 22 -7.123 3.067 -4.326 119 HA ARG 22 HA ARG 22 -8.537 2.342 -2.048 120 HB3 ARG 22 2HB ARG 22 -9.160 4.498 -4.130 121 HG3 ARG 22 2HG ARG 22 -11.080 4.597 -2.837 122 HD3 ARG 22 2HD ARG 22 -10.470 2.550 -1.494 123 HE ARG 22 HE ARG 22 -8.420 3.030 -0.370 124 HH11 ARG 22 2HH2 ARG 22 -10.999 5.226 0.670 125 HH12 ARG 22 1HH2 ARG 22 -10.129 5.790 2.057 126 HH22 ARG 22 1HH ARG 22 -7.938 4.923 2.502 127 H ALA 23 H ALA 23 -9.095 0.112 -3.288 128 HA ALA 23 HA ALA 23 -10.844 -0.239 -5.248 129 HB1 ALA 23 1HB ALA 23 -11.847 -1.953 -3.303 130 HB2 ALA 23 2HB ALA 23 -10.444 -2.273 -4.350 131 HB3 ALA 23 3HB ALA 23 -10.202 -1.597 -2.721 132 H ARG 24 H ARG 24 -11.703 0.811 -1.894 133 HA ARG 24 HA ARG 24 -14.381 0.762 -2.103 134 HB3 ARG 24 2HB ARG 24 -13.922 3.143 -0.703 135 HG3 ARG 24 2HG ARG 24 -13.797 0.217 0.122 136 HD3 ARG 24 2HD ARG 24 -13.967 0.984 2.477 137 HE ARG 24 HE ARG 24 -11.573 1.353 0.897 138 HH11 ARG 24 2HH2 ARG 24 -12.896 1.971 4.125 139 HH12 ARG 24 1HH2 ARG 24 -11.345 1.973 4.896 140 HH22 ARG 24 1HH ARG 24 -9.378 1.609 3.576 141 H GLY 25 H GLY 25 -12.179 2.634 -3.988 142 HA2 GLY 25 1HA GLY 25 -14.354 3.961 -5.350 143 HA3 GLY 25 2HA GLY 25 -13.290 5.046 -4.477 144 H ASP 26 H ASP 26 -10.801 3.607 -4.769 145 HA ASP 26 HA ASP 26 -10.385 2.954 -7.459 146 HB3 ASP 26 2HB ASP 26 -9.570 5.727 -6.500 147 HD2 ASP 26 HD ASP 26 -6.641 5.563 -8.093 148 H ASP 27 H ASP 27 -7.909 5.000 -6.040 149 HA ASP 27 HA ASP 27 -6.836 3.015 -4.331 150 HB3 ASP 27 2HB ASP 27 -6.207 2.387 -6.812 151 HD2 ASP 27 HD ASP 27 -3.280 2.870 -7.515 152 H MET 28 H MET 28 -5.078 3.956 -3.038 153 HA MET 28 HA MET 28 -4.918 6.835 -3.388 154 HB3 MET 28 2HB MET 28 -4.180 6.808 -0.991 155 HG3 MET 28 2HG MET 28 -6.235 5.652 0.009 156 HE1 MET 28 1HE MET 28 -5.582 8.979 -0.140 157 HE2 MET 28 2HE MET 28 -7.291 8.994 0.358 158 HE3 MET 28 3HE MET 28 -6.229 7.658 0.864 159 H ASP 29 H ASP 29 -2.705 4.260 -2.069 160 HA ASP 29 HA ASP 29 -0.708 5.082 -3.952 161 HB3 ASP 29 2HB ASP 29 1.004 5.466 -2.170 162 HD2 ASP 29 HD ASP 29 0.149 8.506 -0.831 163 H ASP 30 H ASP 30 0.951 3.821 -1.340 164 HA ASP 30 HA ASP 30 0.041 1.148 -1.419 165 HB3 ASP 30 2HB ASP 30 1.233 0.510 -3.255 166 HD2 ASP 30 HD ASP 30 2.741 2.028 -5.416 167 H TYR 31 H TYR 31 0.405 0.604 0.736 168 HA TYR 31 HA TYR 31 2.860 1.653 1.977 169 HB3 TYR 31 2HB TYR 31 0.111 2.020 2.571 170 HD1 TYR 31 HD2 TYR 31 -0.602 -0.579 2.494 171 HD2 TYR 31 HD1 TYR 31 1.367 1.349 5.767 172 HE1 TYR 31 HE2 TYR 31 -1.468 -2.368 4.079 173 HE2 TYR 31 HE1 TYR 31 0.493 -0.447 7.341 174 HH TYR 31 HH TYR 31 -0.351 -2.550 7.376 175 H CYS 32 H CYS 32 3.201 0.230 4.172 176 HA CYS 32 HA CYS 32 3.695 -2.404 3.138 177 HB3 CYS 32 2HB CYS 32 5.477 -1.374 4.337 178 H ASN 33 H ASN 33 2.115 -3.958 3.280 179 HA ASN 33 HA ASN 33 0.026 -3.574 5.210 180 HB3 ASN 33 2HB ASN 33 -0.494 -4.280 2.856 181 HD21 ASN 33 1HD2 ASN 33 -1.049 -6.736 1.995 182 HD22 ASN 33 2HD2 ASN 33 0.377 -7.646 1.626 183 H GLY 34 H GLY 34 3.007 -4.495 5.715 184 HA2 GLY 34 1HA GLY 34 3.978 -5.770 7.309 185 HA3 GLY 34 2HA GLY 34 2.404 -6.388 7.767 186 H LYS 35 H LYS 35 2.895 -6.677 4.374 187 HA LYS 35 HA LYS 35 3.976 -9.383 4.696 188 HB3 LYS 35 2HB LYS 35 1.691 -8.728 2.826 189 HG3 LYS 35 2HG LYS 35 3.399 -11.031 3.339 190 HD3 LYS 35 2HD LYS 35 1.130 -11.266 4.870 191 HE3 LYS 35 2HE LYS 35 -0.199 -13.020 3.405 192 HZ1 LYS 35 1HZ LYS 35 -0.635 -10.390 4.016 193 HZ2 LYS 35 2HZ LYS 35 -0.896 -10.424 2.409 194 H THR 36 H THR 36 3.268 -6.580 2.536 195 HA THR 36 HA THR 36 5.879 -6.838 1.371 196 HB THR 36 HB THR 36 3.338 -7.546 -0.170 197 HG1 THR 36 HG1 THR 36 4.527 -9.305 0.744 198 HG21 THR 36 1HG2 THR 36 4.829 -7.618 -2.192 199 HG22 THR 36 2HG2 THR 36 4.633 -5.957 -1.584 200 HG23 THR 36 3HG2 THR 36 6.128 -6.860 -1.239 201 H CYS 37 H CYS 37 6.046 -5.113 -0.515 202 HA CYS 37 HA CYS 37 4.456 -2.803 0.329 203 HB3 CYS 37 2HB CYS 37 6.730 -2.727 1.313 204 H ASP 38 H ASP 38 3.113 -2.568 -1.453 205 HA ASP 38 HA ASP 38 4.165 -1.648 -3.821 206 HB3 ASP 38 2HB ASP 38 2.853 -4.122 -4.680 207 HD2 ASP 38 HD ASP 38 4.408 -1.869 -6.350 208 H CYS 39 H CYS 39 2.119 -0.985 -1.908 209 HA CYS 39 HA CYS 39 0.139 0.078 -2.308 210 HB3 CYS 39 2HB CYS 39 0.315 -0.761 -4.767 211 HA PRO 40 HA PRO 40 -1.054 -3.960 -0.152 212 HB3 PRO 40 2HB PRO 40 0.828 -5.198 0.326 213 HG3 PRO 40 2HG PRO 40 2.823 -4.098 -0.043 214 HD3 PRO 40 2HD PRO 40 2.150 -2.547 -1.601 215 H ARG 41 H ARG 41 -2.550 -2.029 0.073 216 HA ARG 41 HA ARG 41 -3.121 -1.867 2.782 217 HB3 ARG 41 2HB ARG 41 -1.826 0.604 1.536 218 HG3 ARG 41 2HG ARG 41 -3.935 0.402 3.566 219 HD3 ARG 41 2HD ARG 41 -1.548 2.094 4.384 220 HE ARG 41 HE ARG 41 -3.502 2.664 5.651 221 HH11 ARG 41 2HH2 ARG 41 -2.708 -0.778 5.932 222 HH12 ARG 41 1HH2 ARG 41 -3.725 -1.028 7.311 223 HH22 ARG 41 1HH ARG 41 -4.972 0.817 8.199 224 H ASN 42 H ASN 42 -4.302 -2.413 0.103 225 HA ASN 42 HA ASN 42 -6.208 -0.221 -0.051 226 HB3 ASN 42 2HB ASN 42 -5.375 -0.531 -2.242 227 HD21 ASN 42 1HD2 ASN 42 -4.388 -2.705 -0.217 228 HD22 ASN 42 2HD2 ASN 42 -3.723 -3.941 -1.231 229 HA PRO 43 HA PRO 43 -8.293 -3.953 1.716 230 HB3 PRO 43 2HB PRO 43 -7.553 -3.916 3.896 231 HG3 PRO 43 2HG PRO 43 -6.368 -2.025 4.480 232 HD3 PRO 43 2HD PRO 43 -5.617 -1.359 2.411 233 H HIS 44 H HIS 44 -9.315 -2.507 -0.257 234 HA HIS 44 HA HIS 44 -11.887 -1.674 0.874 235 HB3 HIS 44 2HB HIS 44 -11.893 0.134 -0.440 236 HD1 HIS 44 HD1 HIS 44 -9.283 -0.455 1.332 237 HD2 HIS 44 HD2 HIS 44 -9.346 1.014 -2.596 238 HE1 HIS 44 HE1 HIS 44 -7.076 0.778 0.994 239 H LYS 45 H LYS 45 -12.954 -1.590 -1.975 240 HA LYS 45 HA LYS 45 -14.547 -3.430 -2.377 241 HB3 LYS 45 2HB LYS 45 -13.818 -3.845 -4.737 242 HG3 LYS 45 2HG LYS 45 -13.497 -1.221 -5.174 243 HD3 LYS 45 2HD LYS 45 -15.777 -2.944 -4.621 244 HE3 LYS 45 2HE LYS 45 -15.782 -0.231 -3.368 245 HZ1 LYS 45 1HZ LYS 45 -18.205 -1.194 -4.777 246 HZ2 LYS 45 2HZ LYS 45 -18.001 0.238 -4.028 247 H GLY 46 H GLY 46 -11.217 -4.547 -3.292 248 HA2 GLY 46 1HA GLY 46 -11.225 -6.758 -1.527 249 HA3 GLY 46 2HA GLY 46 -11.792 -7.261 -3.107 250 HA PRO 47 HA PRO 47 -7.561 -5.720 -4.260 251 HB3 PRO 47 2HB PRO 47 -7.443 -3.431 -4.479 252 HG3 PRO 47 2HG PRO 47 -8.906 -2.258 -3.137 253 HD3 PRO 47 2HD PRO 47 -10.522 -3.858 -2.799 254 H ALA 48 H ALA 48 -6.085 -4.221 -1.625 255 HA ALA 48 HA ALA 48 -4.834 -4.982 0.049 256 HB1 ALA 48 1HB ALA 48 -6.538 -7.374 -0.505 257 HB2 ALA 48 2HB ALA 48 -5.038 -7.648 0.414 258 HB3 ALA 48 3HB ALA 48 -6.256 -6.499 1.019 259 H THR 49 H THR 49 -2.647 -5.134 -0.117 260 HA THR 49 HA THR 49 -1.554 -7.052 -2.039 261 HB THR 49 HB THR 49 -1.443 -4.050 -2.143 262 HG1 THR 49 HG1 THR 49 -2.235 -4.874 -4.039 263 HG21 THR 49 1HG2 THR 49 0.761 -5.167 -3.653 264 HG22 THR 49 2HG2 THR 49 0.817 -3.885 -2.420 265 HG23 THR 49 3HG2 THR 49 0.987 -5.590 -1.939 Start of MODEL 14 1 H2 GLU 1 1H GLU 1 6.623 -3.075 -3.847 2 HA GLU 1 HA GLU 1 8.107 -3.898 -2.395 3 HB3 GLU 1 2HB GLU 1 6.945 -5.828 -3.372 4 HG3 GLU 1 2HG GLU 1 9.311 -6.034 -5.291 5 HE2 GLU 1 HE GLU 1 8.626 -8.823 -6.327 6 H CYS 2 H CYS 2 10.240 -3.812 -1.704 7 HA CYS 2 HA CYS 2 12.168 -3.147 -3.784 8 HB3 CYS 2 2HB CYS 2 12.279 -2.733 -0.789 9 H GLU 3 H GLU 3 11.789 -5.099 -0.734 10 HA GLU 3 HA GLU 3 13.708 -6.963 -1.899 11 HB3 GLU 3 2HB GLU 3 13.344 -6.322 1.061 12 HG3 GLU 3 2HG GLU 3 14.144 -8.574 0.893 13 HE2 GLU 3 HE GLU 3 16.798 -7.108 -0.574 14 H SER 4 H SER 4 10.725 -6.413 -0.007 15 HA SER 4 HA SER 4 9.201 -8.285 -0.916 16 HB3 SER 4 2HB SER 4 11.332 -9.636 0.675 17 HG SER 4 HG SER 4 9.305 -11.327 0.814 18 H GLY 5 H GLY 5 10.412 -6.382 1.647 19 HA2 GLY 5 1HA GLY 5 8.140 -6.937 3.425 20 HA3 GLY 5 2HA GLY 5 9.582 -6.016 3.807 21 HA PRO 6 HA PRO 6 6.130 -3.326 2.085 22 HB3 PRO 6 2HB PRO 6 4.100 -4.091 2.856 23 HG3 PRO 6 2HG PRO 6 4.238 -5.739 4.463 24 HD3 PRO 6 2HD PRO 6 6.316 -6.599 3.988 25 H CYS 7 H CYS 7 5.172 -1.128 3.244 26 HA CYS 7 HA CYS 7 5.713 0.744 4.278 27 HB3 CYS 7 2HB CYS 7 7.969 0.546 5.769 28 H CYS 8 H CYS 8 6.588 -0.021 1.623 29 HA CYS 8 HA CYS 8 8.571 1.964 1.243 30 HB3 CYS 8 2HB CYS 8 10.322 0.598 1.638 31 H ARG 9 H ARG 9 6.451 2.533 0.124 32 HA ARG 9 HA ARG 9 4.987 1.423 -1.589 33 HB3 ARG 9 2HB ARG 9 5.352 3.950 -1.309 34 HG3 ARG 9 2HG ARG 9 6.689 5.021 -3.162 35 HD3 ARG 9 2HD ARG 9 9.005 3.932 -2.189 36 HE ARG 9 HE ARG 9 7.599 5.601 -0.235 37 HH11 ARG 9 2HH2 ARG 9 9.231 5.594 -3.379 38 HH12 ARG 9 1HH2 ARG 9 9.597 7.287 -3.332 39 HH22 ARG 9 1HH ARG 9 8.913 8.583 -1.437 40 H ASN 10 H ASN 10 8.470 2.042 -2.295 41 HA ASN 10 HA ASN 10 8.274 0.014 -4.353 42 HB3 ASN 10 2HB ASN 10 8.226 2.436 -5.328 43 HD21 ASN 10 1HD2 ASN 10 8.894 4.307 -4.578 44 HD22 ASN 10 2HD2 ASN 10 10.528 4.763 -4.228 45 H CYS 11 H CYS 11 10.323 2.270 -2.381 46 HA CYS 11 HA CYS 11 11.845 0.263 -1.255 47 HB3 CYS 11 2HB CYS 11 13.442 1.656 -3.399 48 H LYS 12 H LYS 12 10.405 2.645 -0.542 49 HA LYS 12 HA LYS 12 12.374 3.940 1.011 50 HB3 LYS 12 2HB LYS 12 11.130 5.796 -1.008 51 HG3 LYS 12 2HG LYS 12 12.341 6.449 1.250 52 HD3 LYS 12 2HD LYS 12 14.342 4.866 0.352 53 HE3 LYS 12 2HE LYS 12 15.400 7.579 -0.449 54 HZ1 LYS 12 1HZ LYS 12 16.090 5.006 -1.677 55 HZ2 LYS 12 2HZ LYS 12 17.050 6.289 -1.389 56 H PHE 13 H PHE 13 10.564 2.719 2.237 57 HA PHE 13 HA PHE 13 8.167 2.850 2.671 58 HB3 PHE 13 2HB PHE 13 10.055 4.458 4.494 59 HD1 PHE 13 HD1 PHE 13 6.691 3.187 4.050 60 HD2 PHE 13 HD2 PHE 13 9.543 4.465 6.921 61 HE1 PHE 13 HE1 PHE 13 4.864 3.444 5.750 62 HE2 PHE 13 HE2 PHE 13 7.715 4.721 8.622 63 HZ PHE 13 HZ PHE 13 5.398 4.208 8.017 64 H LEU 14 H LEU 14 6.448 4.017 1.967 65 HA LEU 14 HA LEU 14 6.734 6.753 1.286 66 HB3 LEU 14 2HB LEU 14 4.056 5.500 1.596 67 HG LEU 14 HG LEU 14 3.608 6.397 -0.583 68 HD11 LEU 14 1HD1 LEU 14 4.062 8.847 -0.187 69 HD12 LEU 14 2HD1 LEU 14 3.252 7.985 1.144 70 HD13 LEU 14 3HD1 LEU 14 4.987 8.364 1.255 71 HD21 LEU 14 1HD2 LEU 14 5.245 7.576 -1.932 72 HD22 LEU 14 2HD2 LEU 14 6.504 7.284 -0.707 73 HD23 LEU 14 3HD2 LEU 14 5.799 5.916 -1.603 74 H LYS 15 H LYS 15 4.282 5.306 3.532 75 HA LYS 15 HA LYS 15 5.014 6.509 5.842 76 HB3 LYS 15 2HB LYS 15 5.025 8.693 4.968 77 HG3 LYS 15 2HG LYS 15 2.574 7.760 3.481 78 HD3 LYS 15 2HD LYS 15 2.426 10.419 3.002 79 HE3 LYS 15 2HE LYS 15 1.109 9.021 5.380 80 HZ1 LYS 15 1HZ LYS 15 -0.494 10.709 5.244 81 HZ2 LYS 15 2HZ LYS 15 0.887 11.553 5.076 82 H GLU 16 H GLU 16 4.070 4.682 6.727 83 HA GLU 16 HA GLU 16 2.175 3.168 6.367 84 HB3 GLU 16 2HB GLU 16 1.128 3.851 8.771 85 HG3 GLU 16 2HG GLU 16 4.022 2.925 8.505 86 HE2 GLU 16 HE GLU 16 1.019 2.047 9.792 87 H GLY 17 H GLY 17 0.778 3.791 4.624 88 HA2 GLY 17 1HA GLY 17 -1.765 4.250 4.930 89 HA3 GLY 17 2HA GLY 17 -1.196 5.885 5.205 90 H THR 18 H THR 18 -0.564 3.159 2.872 91 HA THR 18 HA THR 18 -1.057 5.039 0.690 92 HB THR 18 HB THR 18 1.199 3.451 -0.058 93 HG1 THR 18 HG1 THR 18 2.589 4.198 1.798 94 HG21 THR 18 1HG2 THR 18 0.452 6.209 0.009 95 HG22 THR 18 2HG2 THR 18 1.969 6.088 0.931 96 HG23 THR 18 3HG2 THR 18 1.902 5.512 -0.751 97 H ILE 19 H ILE 19 -2.990 4.052 0.166 98 HA ILE 19 HA ILE 19 -3.527 1.382 0.177 99 HB ILE 19 HB ILE 19 -4.955 3.505 -0.347 100 HG13 ILE 19 2HG1 ILE 19 -6.403 1.829 -0.064 101 HG21 ILE 19 1HG2 ILE 19 -4.511 2.503 -3.166 102 HG22 ILE 19 2HG2 ILE 19 -5.481 3.896 -2.630 103 HG23 ILE 19 3HG2 ILE 19 -3.707 3.942 -2.494 104 HD11 ILE 19 1HD1 ILE 19 -7.126 2.585 -2.314 105 HD12 ILE 19 2HD1 ILE 19 -6.004 1.424 -3.064 106 HD13 ILE 19 3HD1 ILE 19 -7.389 0.836 -2.114 107 H CYS 20 H CYS 20 -3.942 0.005 -1.921 108 HA CYS 20 HA CYS 20 -1.490 0.193 -3.517 109 HB3 CYS 20 2HB CYS 20 -2.994 -2.344 -2.861 110 H LYS 21 H LYS 21 -5.018 -0.287 -3.331 111 HA LYS 21 HA LYS 21 -5.289 0.477 -6.066 112 HB3 LYS 21 2HB LYS 21 -6.625 -1.639 -6.629 113 HG3 LYS 21 2HG LYS 21 -4.289 -2.932 -6.910 114 HD3 LYS 21 2HD LYS 21 -5.040 -0.298 -8.258 115 HE3 LYS 21 2HE LYS 21 -3.290 -2.418 -9.521 116 HZ1 LYS 21 1HZ LYS 21 -4.174 0.240 -10.108 117 HZ2 LYS 21 2HZ LYS 21 -2.553 0.129 -10.216 118 H ARG 22 H ARG 22 -6.749 2.070 -5.701 119 HA ARG 22 HA ARG 22 -8.391 2.249 -3.576 120 HB3 ARG 22 2HB ARG 22 -8.383 3.392 -6.353 121 HG3 ARG 22 2HG ARG 22 -10.805 2.900 -5.988 122 HD3 ARG 22 2HD ARG 22 -10.968 2.840 -3.567 123 HE ARG 22 HE ARG 22 -9.518 4.355 -2.523 124 HH11 ARG 22 2HH2 ARG 22 -11.540 6.116 -4.840 125 HH12 ARG 22 1HH2 ARG 22 -10.991 7.675 -4.323 126 HH22 ARG 22 1HH ARG 22 -9.376 7.827 -2.558 127 H ALA 23 H ALA 23 -9.534 0.338 -3.006 128 HA ALA 23 HA ALA 23 -11.082 -1.054 -4.973 129 HB1 ALA 23 1HB ALA 23 -10.154 -1.418 -2.226 130 HB2 ALA 23 2HB ALA 23 -11.859 -1.889 -2.412 131 HB3 ALA 23 3HB ALA 23 -10.612 -2.635 -3.440 132 H ARG 24 H ARG 24 -13.048 -1.212 -2.361 133 HA ARG 24 HA ARG 24 -15.211 -0.191 -3.410 134 HB3 ARG 24 2HB ARG 24 -15.340 -1.267 -1.255 135 HG3 ARG 24 2HG ARG 24 -13.043 0.176 -0.635 136 HD3 ARG 24 2HD ARG 24 -15.157 1.070 1.359 137 HE ARG 24 HE ARG 24 -12.312 1.858 0.842 138 HH11 ARG 24 2HH2 ARG 24 -15.129 1.751 2.988 139 HH12 ARG 24 1HH2 ARG 24 -14.259 2.339 4.365 140 HH22 ARG 24 1HH ARG 24 -11.928 2.852 4.149 141 H GLY 25 H GLY 25 -13.023 1.752 -1.233 142 HA2 GLY 25 1HA GLY 25 -12.919 4.045 -2.748 143 HA3 GLY 25 2HA GLY 25 -14.368 4.211 -1.777 144 H ASP 26 H ASP 26 -10.982 4.645 -1.855 145 HA ASP 26 HA ASP 26 -10.500 6.073 0.157 146 HB3 ASP 26 2HB ASP 26 -11.153 3.355 1.298 147 HD2 ASP 26 HD ASP 26 -8.472 5.460 3.409 148 H ASP 27 H ASP 27 -8.924 5.827 -1.825 149 HA ASP 27 HA ASP 27 -6.906 3.815 -1.282 150 HB3 ASP 27 2HB ASP 27 -7.997 5.075 -3.674 151 HD2 ASP 27 HD ASP 27 -6.346 7.169 -4.441 152 H MET 28 H MET 28 -4.537 4.656 -1.701 153 HA MET 28 HA MET 28 -4.304 7.463 -1.000 154 HB3 MET 28 2HB MET 28 -2.874 7.009 0.868 155 HG3 MET 28 2HG MET 28 -4.294 4.497 1.419 156 HE1 MET 28 1HE MET 28 -5.747 8.325 3.317 157 HE2 MET 28 2HE MET 28 -4.580 8.613 2.005 158 HE3 MET 28 3HE MET 28 -6.060 7.676 1.690 159 H ASP 29 H ASP 29 -2.257 4.496 -1.542 160 HA ASP 29 HA ASP 29 -1.305 5.353 -3.980 161 HB3 ASP 29 2HB ASP 29 1.163 5.545 -2.596 162 HD2 ASP 29 HD ASP 29 0.881 8.331 -2.145 163 H ASP 30 H ASP 30 1.009 4.305 -1.455 164 HA ASP 30 HA ASP 30 0.418 1.546 -1.850 165 HB3 ASP 30 2HB ASP 30 2.405 0.887 -2.945 166 HD2 ASP 30 HD ASP 30 1.648 2.011 -5.998 167 H TYR 31 H TYR 31 0.420 1.081 0.371 168 HA TYR 31 HA TYR 31 2.678 2.126 1.939 169 HB3 TYR 31 2HB TYR 31 -0.195 2.122 2.208 170 HD1 TYR 31 HD2 TYR 31 -0.919 -0.311 2.284 171 HD2 TYR 31 HD1 TYR 31 1.353 1.516 5.416 172 HE1 TYR 31 HE2 TYR 31 -1.600 -2.173 3.876 173 HE2 TYR 31 HE1 TYR 31 0.664 -0.352 6.996 174 HH TYR 31 HH TYR 31 -1.011 -1.958 7.259 175 H CYS 32 H CYS 32 3.172 0.640 3.919 176 HA CYS 32 HA CYS 32 4.089 -1.778 2.915 177 HB3 CYS 32 2HB CYS 32 5.348 -1.393 4.702 178 H ASN 33 H ASN 33 3.264 -3.453 5.307 179 HA ASN 33 HA ASN 33 0.765 -3.812 5.861 180 HB3 ASN 33 2HB ASN 33 0.365 -3.603 3.280 181 HD21 ASN 33 1HD2 ASN 33 -0.673 -6.247 2.432 182 HD22 ASN 33 2HD2 ASN 33 0.645 -7.075 1.672 183 H GLY 34 H GLY 34 3.427 -4.615 6.602 184 HA2 GLY 34 1HA GLY 34 4.799 -6.448 6.901 185 HA3 GLY 34 2HA GLY 34 3.360 -6.929 7.778 186 H LYS 35 H LYS 35 4.832 -7.005 4.465 187 HA LYS 35 HA LYS 35 4.633 -9.706 4.122 188 HB3 LYS 35 2HB LYS 35 2.257 -8.463 2.738 189 HG3 LYS 35 2HG LYS 35 3.268 -11.264 3.359 190 HD3 LYS 35 2HD LYS 35 0.446 -10.357 2.650 191 HE3 LYS 35 2HE LYS 35 1.762 -13.089 2.298 192 HZ1 LYS 35 1HZ LYS 35 -0.273 -14.013 2.486 193 HZ2 LYS 35 2HZ LYS 35 -0.761 -12.655 3.241 194 H THR 36 H THR 36 4.324 -6.439 2.698 195 HA THR 36 HA THR 36 6.595 -6.510 1.223 196 HB THR 36 HB THR 36 4.448 -8.164 0.020 197 HG1 THR 36 HG1 THR 36 7.264 -7.511 -0.507 198 HG21 THR 36 1HG2 THR 36 4.115 -6.278 -1.506 199 HG22 THR 36 2HG2 THR 36 5.869 -5.988 -1.597 200 HG23 THR 36 3HG2 THR 36 5.171 -7.453 -2.328 201 H CYS 37 H CYS 37 6.963 -4.564 0.170 202 HA CYS 37 HA CYS 37 4.862 -2.629 0.644 203 HB3 CYS 37 2HB CYS 37 6.949 -1.953 1.491 204 H ASP 38 H ASP 38 3.425 -3.391 -1.096 205 HA ASP 38 HA ASP 38 4.471 -2.643 -3.713 206 HB3 ASP 38 2HB ASP 38 2.350 -4.753 -3.096 207 HD2 ASP 38 HD ASP 38 3.780 -6.124 -5.565 208 H CYS 39 H CYS 39 2.703 -1.501 -1.269 209 HA CYS 39 HA CYS 39 1.315 0.289 -1.393 210 HB3 CYS 39 2HB CYS 39 1.549 0.354 -3.887 211 HA PRO 40 HA PRO 40 -1.509 -3.330 -0.405 212 HB3 PRO 40 2HB PRO 40 -0.180 -5.100 0.227 213 HG3 PRO 40 2HG PRO 40 2.054 -4.587 0.477 214 HD3 PRO 40 2HD PRO 40 2.205 -2.744 -0.889 215 H ARG 41 H ARG 41 -2.485 -1.096 -0.162 216 HA ARG 41 HA ARG 41 -3.206 -0.971 2.623 217 HB3 ARG 41 2HB ARG 41 -1.913 1.279 1.046 218 HG3 ARG 41 2HG ARG 41 -4.231 1.505 2.835 219 HD3 ARG 41 2HD ARG 41 -2.736 3.695 3.741 220 HE ARG 41 HE ARG 41 -2.806 1.567 5.669 221 HH11 ARG 41 2HH2 ARG 41 -4.991 3.501 3.659 222 HH12 ARG 41 1HH2 ARG 41 -6.336 3.330 4.737 223 HH22 ARG 41 1HH ARG 41 -6.071 2.055 6.750 224 H ASN 42 H ASN 42 -4.616 -1.972 0.312 225 HA ASN 42 HA ASN 42 -6.579 0.148 -0.072 226 HB3 ASN 42 2HB ASN 42 -6.019 -0.367 -2.275 227 HD21 ASN 42 1HD2 ASN 42 -4.038 -1.482 -0.559 228 HD22 ASN 42 2HD2 ASN 42 -3.382 -2.896 -1.313 229 HA PRO 43 HA PRO 43 -8.408 -3.344 2.316 230 HB3 PRO 43 2HB PRO 43 -7.646 -2.868 4.435 231 HG3 PRO 43 2HG PRO 43 -6.593 -0.826 4.644 232 HD3 PRO 43 2HD PRO 43 -5.918 -0.491 2.472 233 H HIS 44 H HIS 44 -9.388 -1.478 0.248 234 HA HIS 44 HA HIS 44 -12.053 -0.958 1.253 235 HB3 HIS 44 2HB HIS 44 -12.195 0.626 -0.333 236 HD1 HIS 44 HD1 HIS 44 -9.297 -0.059 1.362 237 HD2 HIS 44 HD2 HIS 44 -9.962 1.989 -2.238 238 HE1 HIS 44 HE1 HIS 44 -7.272 1.456 1.017 239 H LYS 45 H LYS 45 -13.248 -1.286 -1.479 240 HA LYS 45 HA LYS 45 -14.739 -3.197 -1.668 241 HB3 LYS 45 2HB LYS 45 -13.908 -3.987 -3.931 242 HG3 LYS 45 2HG LYS 45 -13.644 -1.009 -3.947 243 HD3 LYS 45 2HD LYS 45 -15.553 -1.261 -5.555 244 HE3 LYS 45 2HE LYS 45 -12.967 -2.767 -5.865 245 HZ1 LYS 45 1HZ LYS 45 -14.734 -4.117 -6.996 246 HZ2 LYS 45 2HZ LYS 45 -15.088 -2.839 -7.940 247 H GLY 46 H GLY 46 -11.427 -4.428 -2.474 248 HA2 GLY 46 1HA GLY 46 -11.200 -6.244 -0.373 249 HA3 GLY 46 2HA GLY 46 -12.050 -7.065 -1.667 250 HA PRO 47 HA PRO 47 -8.061 -6.007 -3.832 251 HB3 PRO 47 2HB PRO 47 -7.890 -3.800 -4.469 252 HG3 PRO 47 2HG PRO 47 -9.039 -2.319 -3.124 253 HD3 PRO 47 2HD PRO 47 -10.631 -3.721 -2.238 254 H ALA 48 H ALA 48 -6.362 -4.183 -1.443 255 HA ALA 48 HA ALA 48 -4.846 -4.763 0.064 256 HB1 ALA 48 1HB ALA 48 -5.801 -6.247 1.457 257 HB2 ALA 48 2HB ALA 48 -6.756 -6.951 0.129 258 HB3 ALA 48 3HB ALA 48 -5.111 -7.548 0.457 259 H THR 49 H THR 49 -2.669 -5.073 -0.217 260 HA THR 49 HA THR 49 -1.843 -7.056 -2.214 261 HB THR 49 HB THR 49 -1.166 -4.075 -2.120 262 HG1 THR 49 HG1 THR 49 -1.726 -5.002 -4.556 263 HG21 THR 49 1HG2 THR 49 0.585 -4.405 -3.648 264 HG22 THR 49 2HG2 THR 49 0.793 -5.854 -2.636 265 HG23 THR 49 3HG2 THR 49 -0.058 -5.972 -4.195 Start of MODEL 15 1 H2 GLU 1 1H GLU 1 11.797 -4.970 2.316 2 HA GLU 1 HA GLU 1 9.668 -3.133 1.872 3 HB3 GLU 1 2HB GLU 1 10.080 -2.776 4.292 4 HG3 GLU 1 2HG GLU 1 12.578 -1.422 4.258 5 HE2 GLU 1 HE GLU 1 13.541 -3.999 6.540 6 H CYS 2 H CYS 2 11.021 -4.114 -0.139 7 HA CYS 2 HA CYS 2 12.126 -2.109 -1.490 8 HB3 CYS 2 2HB CYS 2 14.681 -3.116 -1.141 9 H GLU 3 H GLU 3 12.146 -5.512 -0.523 10 HA GLU 3 HA GLU 3 11.879 -6.263 -3.252 11 HB3 GLU 3 2HB GLU 3 14.226 -7.441 -1.706 12 HG3 GLU 3 2HG GLU 3 12.980 -8.716 -3.640 13 HE2 GLU 3 HE GLU 3 12.024 -6.807 -5.592 14 H SER 4 H SER 4 9.824 -6.560 -1.773 15 HA SER 4 HA SER 4 8.457 -8.343 -1.441 16 HB3 SER 4 2HB SER 4 10.724 -9.907 -0.157 17 HG SER 4 HG SER 4 9.330 -11.553 -0.235 18 H GLY 5 H GLY 5 8.494 -6.111 0.023 19 HA2 GLY 5 1HA GLY 5 7.793 -6.989 2.655 20 HA3 GLY 5 2HA GLY 5 9.297 -6.090 2.644 21 HA PRO 6 HA PRO 6 5.515 -3.329 2.049 22 HB3 PRO 6 2HB PRO 6 3.673 -4.221 3.104 23 HG3 PRO 6 2HG PRO 6 4.122 -6.037 4.453 24 HD3 PRO 6 2HD PRO 6 6.066 -6.792 3.487 25 H CYS 7 H CYS 7 5.170 -1.102 2.814 26 HA CYS 7 HA CYS 7 5.830 0.711 3.921 27 HB3 CYS 7 2HB CYS 7 8.114 0.092 5.418 28 H CYS 8 H CYS 8 6.520 0.222 1.326 29 HA CYS 8 HA CYS 8 8.709 1.825 0.909 30 HB3 CYS 8 2HB CYS 8 9.696 -0.549 1.762 31 H ARG 9 H ARG 9 6.460 2.225 -0.231 32 HA ARG 9 HA ARG 9 5.120 1.078 -1.970 33 HB3 ARG 9 2HB ARG 9 4.848 3.355 -2.275 34 HG3 ARG 9 2HG ARG 9 7.611 4.172 -2.947 35 HD3 ARG 9 2HD ARG 9 5.325 5.074 -1.201 36 HE ARG 9 HE ARG 9 7.413 5.237 0.237 37 HH11 ARG 9 2HH2 ARG 9 6.874 7.580 -2.365 38 HH12 ARG 9 1HH2 ARG 9 7.848 8.808 -1.629 39 HH22 ARG 9 1HH ARG 9 8.911 8.362 0.471 40 H ASN 10 H ASN 10 8.566 1.896 -2.776 41 HA ASN 10 HA ASN 10 8.463 -0.290 -4.693 42 HB3 ASN 10 2HB ASN 10 8.432 1.901 -5.911 43 HD21 ASN 10 1HD2 ASN 10 8.455 3.624 -4.390 44 HD22 ASN 10 2HD2 ASN 10 9.901 4.518 -4.061 45 H CYS 11 H CYS 11 10.391 1.958 -2.614 46 HA CYS 11 HA CYS 11 11.883 -0.030 -1.436 47 HB3 CYS 11 2HB CYS 11 13.477 1.347 -3.606 48 H LYS 12 H LYS 12 10.429 2.227 -0.630 49 HA LYS 12 HA LYS 12 12.354 3.592 0.907 50 HB3 LYS 12 2HB LYS 12 12.928 4.884 -0.976 51 HG3 LYS 12 2HG LYS 12 9.927 5.036 -1.501 52 HD3 LYS 12 2HD LYS 12 11.276 7.256 -1.800 53 HE3 LYS 12 2HE LYS 12 12.211 5.785 -4.303 54 HZ1 LYS 12 1HZ LYS 12 11.977 8.429 -3.811 55 HZ2 LYS 12 2HZ LYS 12 13.520 8.180 -3.354 56 H PHE 13 H PHE 13 10.837 2.534 2.396 57 HA PHE 13 HA PHE 13 8.340 2.477 2.772 58 HB3 PHE 13 2HB PHE 13 10.400 3.911 4.532 59 HD1 PHE 13 HD1 PHE 13 6.905 2.662 4.515 60 HD2 PHE 13 HD2 PHE 13 9.929 4.689 6.697 61 HE1 PHE 13 HE1 PHE 13 5.217 3.304 6.258 62 HE2 PHE 13 HE2 PHE 13 8.241 5.331 8.440 63 HZ PHE 13 HZ PHE 13 5.905 4.631 8.200 64 H LEU 14 H LEU 14 6.456 3.646 2.694 65 HA LEU 14 HA LEU 14 6.679 6.391 1.862 66 HB3 LEU 14 2HB LEU 14 5.075 5.395 0.624 67 HG LEU 14 HG LEU 14 3.222 3.936 1.671 68 HD11 LEU 14 1HD1 LEU 14 4.976 3.179 0.072 69 HD12 LEU 14 2HD1 LEU 14 5.999 2.746 1.463 70 HD13 LEU 14 3HD1 LEU 14 4.441 1.920 1.212 71 HD21 LEU 14 1HD2 LEU 14 4.485 2.533 3.587 72 HD22 LEU 14 2HD2 LEU 14 5.142 4.152 3.922 73 HD23 LEU 14 3HD2 LEU 14 3.381 3.888 3.925 74 H LYS 15 H LYS 15 3.835 5.844 3.696 75 HA LYS 15 HA LYS 15 4.962 6.711 6.199 76 HB3 LYS 15 2HB LYS 15 4.870 8.836 5.012 77 HG3 LYS 15 2HG LYS 15 1.856 8.541 4.830 78 HD3 LYS 15 2HD LYS 15 3.979 10.326 3.573 79 HE3 LYS 15 2HE LYS 15 1.913 11.374 2.403 80 HZ1 LYS 15 1HZ LYS 15 2.699 10.309 0.598 81 HZ2 LYS 15 2HZ LYS 15 3.650 9.415 1.572 82 H GLU 16 H GLU 16 3.879 4.306 5.839 83 HA GLU 16 HA GLU 16 2.074 3.014 6.047 84 HB3 GLU 16 2HB GLU 16 1.093 3.385 8.449 85 HG3 GLU 16 2HG GLU 16 4.105 3.088 8.023 86 HE2 GLU 16 HE GLU 16 2.086 1.156 10.525 87 H GLY 17 H GLY 17 0.587 3.577 4.393 88 HA2 GLY 17 1HA GLY 17 -1.926 3.992 4.688 89 HA3 GLY 17 2HA GLY 17 -1.419 5.622 5.085 90 H THR 18 H THR 18 -0.656 3.106 2.561 91 HA THR 18 HA THR 18 -1.281 5.087 0.513 92 HB THR 18 HB THR 18 1.216 3.592 -0.033 93 HG1 THR 18 HG1 THR 18 1.043 4.153 2.418 94 HG21 THR 18 1HG2 THR 18 1.804 5.566 -1.081 95 HG22 THR 18 2HG2 THR 18 0.072 5.944 -0.935 96 HG23 THR 18 3HG2 THR 18 1.222 6.562 0.274 97 H ILE 19 H ILE 19 -3.197 3.593 0.578 98 HA ILE 19 HA ILE 19 -3.163 0.945 0.070 99 HB ILE 19 HB ILE 19 -5.254 1.741 0.365 100 HG13 ILE 19 2HG1 ILE 19 -6.436 0.927 -1.364 101 HG21 ILE 19 1HG2 ILE 19 -4.982 4.047 0.370 102 HG22 ILE 19 2HG2 ILE 19 -4.406 4.089 -1.313 103 HG23 ILE 19 3HG2 ILE 19 -6.124 3.780 -0.967 104 HD11 ILE 19 1HD1 ILE 19 -6.823 2.273 -3.140 105 HD12 ILE 19 2HD1 ILE 19 -5.458 3.301 -2.639 106 HD13 ILE 19 3HD1 ILE 19 -5.186 1.944 -3.760 107 H CYS 20 H CYS 20 -3.286 -0.381 -1.875 108 HA CYS 20 HA CYS 20 -1.351 0.496 -3.786 109 HB3 CYS 20 2HB CYS 20 -2.981 -2.051 -3.747 110 H LYS 21 H LYS 21 -4.832 -0.575 -3.835 111 HA LYS 21 HA LYS 21 -5.212 1.205 -6.128 112 HB3 LYS 21 2HB LYS 21 -6.727 -0.554 -7.109 113 HG3 LYS 21 2HG LYS 21 -4.739 -2.036 -7.852 114 HD3 LYS 21 2HD LYS 21 -4.855 0.980 -8.089 115 HE3 LYS 21 2HE LYS 21 -2.725 -0.859 -9.282 116 HZ1 LYS 21 1HZ LYS 21 -3.928 1.226 -10.549 117 HZ2 LYS 21 2HZ LYS 21 -2.633 1.954 -9.880 118 H ARG 22 H ARG 22 -7.434 1.986 -6.355 119 HA ARG 22 HA ARG 22 -8.593 2.258 -3.750 120 HB3 ARG 22 2HB ARG 22 -8.728 3.692 -6.362 121 HG3 ARG 22 2HG ARG 22 -11.147 2.891 -5.859 122 HD3 ARG 22 2HD ARG 22 -11.420 3.138 -3.519 123 HE ARG 22 HE ARG 22 -9.623 4.502 -2.745 124 HH11 ARG 22 2HH2 ARG 22 -11.995 6.416 -4.553 125 HH12 ARG 22 1HH2 ARG 22 -11.373 7.935 -4.003 126 HH22 ARG 22 1HH ARG 22 -9.496 7.966 -2.514 127 H ALA 23 H ALA 23 -9.809 0.436 -3.186 128 HA ALA 23 HA ALA 23 -11.419 -0.872 -5.187 129 HB1 ALA 23 1HB ALA 23 -12.057 -1.996 -2.751 130 HB2 ALA 23 2HB ALA 23 -10.720 -2.525 -3.800 131 HB3 ALA 23 3HB ALA 23 -10.407 -1.396 -2.461 132 H ARG 24 H ARG 24 -12.940 -0.905 -2.122 133 HA ARG 24 HA ARG 24 -15.300 0.011 -3.013 134 HB3 ARG 24 2HB ARG 24 -15.182 -1.108 -0.879 135 HG3 ARG 24 2HG ARG 24 -12.831 0.297 -0.484 136 HD3 ARG 24 2HD ARG 24 -14.713 1.259 1.702 137 HE ARG 24 HE ARG 24 -11.908 1.933 0.905 138 HH11 ARG 24 2HH2 ARG 24 -14.534 2.075 3.279 139 HH12 ARG 24 1HH2 ARG 24 -13.525 2.694 4.544 140 HH22 ARG 24 1HH ARG 24 -11.201 3.082 4.106 141 H GLY 25 H GLY 25 -12.821 1.912 -1.139 142 HA2 GLY 25 1HA GLY 25 -12.946 4.237 -2.594 143 HA3 GLY 25 2HA GLY 25 -14.234 4.381 -1.414 144 H ASP 26 H ASP 26 -10.886 4.793 -1.987 145 HA ASP 26 HA ASP 26 -10.090 6.191 -0.063 146 HB3 ASP 26 2HB ASP 26 -10.609 3.475 1.159 147 HD2 ASP 26 HD ASP 26 -7.719 3.321 2.987 148 H ASP 27 H ASP 27 -8.922 5.749 -2.360 149 HA ASP 27 HA ASP 27 -6.910 3.708 -2.137 150 HB3 ASP 27 2HB ASP 27 -8.258 5.080 -4.265 151 HD2 ASP 27 HD ASP 27 -6.016 7.254 -5.680 152 H MET 28 H MET 28 -4.555 4.426 -2.765 153 HA MET 28 HA MET 28 -4.003 7.171 -2.087 154 HB3 MET 28 2HB MET 28 -2.215 6.349 -0.418 155 HG3 MET 28 2HG MET 28 -4.104 5.522 1.296 156 HE1 MET 28 1HE MET 28 -5.753 9.420 0.651 157 HE2 MET 28 2HE MET 28 -6.286 7.734 0.455 158 HE3 MET 28 3HE MET 28 -5.992 8.391 2.082 159 H ASP 29 H ASP 29 -1.655 4.488 -1.836 160 HA ASP 29 HA ASP 29 -0.861 4.799 -4.559 161 HB3 ASP 29 2HB ASP 29 1.530 5.140 -2.937 162 HD2 ASP 29 HD ASP 29 0.121 8.106 -4.480 163 H ASP 30 H ASP 30 1.262 4.034 -1.747 164 HA ASP 30 HA ASP 30 0.683 1.248 -1.929 165 HB3 ASP 30 2HB ASP 30 2.711 0.483 -2.805 166 HD2 ASP 30 HD ASP 30 3.542 3.053 -5.515 167 H TYR 31 H TYR 31 0.752 0.606 0.230 168 HA TYR 31 HA TYR 31 2.685 1.988 1.968 169 HB3 TYR 31 2HB TYR 31 -0.195 1.821 1.967 170 HD1 TYR 31 HD2 TYR 31 -0.695 -0.695 2.103 171 HD2 TYR 31 HD1 TYR 31 0.978 1.532 5.351 172 HE1 TYR 31 HE2 TYR 31 -1.421 -2.508 3.731 173 HE2 TYR 31 HE1 TYR 31 0.246 -0.289 6.967 174 HH TYR 31 HH TYR 31 -0.568 -2.295 7.165 175 H CYS 32 H CYS 32 2.802 0.576 4.174 176 HA CYS 32 HA CYS 32 3.654 -2.033 3.236 177 HB3 CYS 32 2HB CYS 32 5.338 -0.879 4.421 178 H ASN 33 H ASN 33 1.999 -3.536 3.269 179 HA ASN 33 HA ASN 33 -0.014 -3.274 5.305 180 HB3 ASN 33 2HB ASN 33 0.130 -4.358 2.626 181 HD21 ASN 33 1HD2 ASN 33 -0.039 -6.306 1.797 182 HD22 ASN 33 2HD2 ASN 33 -0.325 -7.781 2.657 183 H GLY 34 H GLY 34 3.009 -4.315 5.479 184 HA2 GLY 34 1HA GLY 34 3.981 -5.666 7.043 185 HA3 GLY 34 2HA GLY 34 2.435 -6.419 7.380 186 H LYS 35 H LYS 35 2.283 -6.594 4.167 187 HA LYS 35 HA LYS 35 3.550 -9.221 4.133 188 HB3 LYS 35 2HB LYS 35 1.608 -8.027 2.137 189 HG3 LYS 35 2HG LYS 35 3.183 -10.316 1.986 190 HD3 LYS 35 2HD LYS 35 0.381 -11.176 2.832 191 HE3 LYS 35 2HE LYS 35 2.842 -12.537 1.776 192 HZ1 LYS 35 1HZ LYS 35 1.010 -13.980 3.595 193 HZ2 LYS 35 2HZ LYS 35 2.442 -14.488 3.010 194 H THR 36 H THR 36 3.208 -6.299 1.993 195 HA THR 36 HA THR 36 6.017 -6.372 1.418 196 HB THR 36 HB THR 36 5.517 -6.663 -1.109 197 HG1 THR 36 HG1 THR 36 3.426 -7.671 -1.463 198 HG21 THR 36 1HG2 THR 36 6.348 -8.559 0.542 199 HG22 THR 36 2HG2 THR 36 4.669 -9.141 0.436 200 HG23 THR 36 3HG2 THR 36 5.669 -9.035 -1.033 201 H CYS 37 H CYS 37 6.658 -4.555 -0.046 202 HA CYS 37 HA CYS 37 4.883 -2.328 0.538 203 HB3 CYS 37 2HB CYS 37 7.139 -2.080 1.331 204 H ASP 38 H ASP 38 3.787 -3.925 -1.403 205 HA ASP 38 HA ASP 38 4.694 -2.858 -3.936 206 HB3 ASP 38 2HB ASP 38 2.371 -4.646 -4.047 207 HD2 ASP 38 HD ASP 38 4.848 -3.517 -5.933 208 H CYS 39 H CYS 39 2.832 -1.765 -1.501 209 HA CYS 39 HA CYS 39 1.457 0.039 -1.648 210 HB3 CYS 39 2HB CYS 39 1.778 0.099 -4.152 211 HA PRO 40 HA PRO 40 -1.408 -3.599 -0.842 212 HB3 PRO 40 2HB PRO 40 -0.113 -5.415 -0.268 213 HG3 PRO 40 2HG PRO 40 2.125 -4.945 0.036 214 HD3 PRO 40 2HD PRO 40 2.321 -3.047 -1.245 215 H ARG 41 H ARG 41 -2.292 -1.311 -0.512 216 HA ARG 41 HA ARG 41 -3.056 -1.305 2.274 217 HB3 ARG 41 2HB ARG 41 -1.880 1.067 0.753 218 HG3 ARG 41 2HG ARG 41 -4.049 1.123 2.632 219 HD3 ARG 41 2HD ARG 41 -1.603 2.544 3.750 220 HE ARG 41 HE ARG 41 -3.670 3.357 4.707 221 HH11 ARG 41 2HH2 ARG 41 -3.145 -0.100 5.279 222 HH12 ARG 41 1HH2 ARG 41 -4.304 -0.191 6.564 223 HH22 ARG 41 1HH ARG 41 -5.499 1.784 7.207 224 H ASN 42 H ASN 42 -4.450 -2.212 -0.105 225 HA ASN 42 HA ASN 42 -6.356 -0.055 -0.516 226 HB3 ASN 42 2HB ASN 42 -6.152 -0.717 -2.697 227 HD21 ASN 42 1HD2 ASN 42 -3.819 -1.156 -1.182 228 HD22 ASN 42 2HD2 ASN 42 -2.924 -2.467 -1.875 229 HA PRO 43 HA PRO 43 -8.313 -3.315 2.112 230 HB3 PRO 43 2HB PRO 43 -7.415 -2.844 4.179 231 HG3 PRO 43 2HG PRO 43 -6.190 -0.891 4.275 232 HD3 PRO 43 2HD PRO 43 -5.594 -0.675 2.066 233 H HIS 44 H HIS 44 -9.212 -1.333 0.066 234 HA HIS 44 HA HIS 44 -11.724 -0.468 1.131 235 HB3 HIS 44 2HB HIS 44 -11.914 0.790 -0.758 236 HD1 HIS 44 HD1 HIS 44 -8.928 0.036 0.951 237 HD2 HIS 44 HD2 HIS 44 -9.748 2.027 -2.649 238 HE1 HIS 44 HE1 HIS 44 -6.889 1.487 0.457 239 H LYS 45 H LYS 45 -13.038 -1.084 -1.590 240 HA LYS 45 HA LYS 45 -14.802 -2.851 -1.178 241 HB3 LYS 45 2HB LYS 45 -14.518 -3.794 -3.489 242 HG3 LYS 45 2HG LYS 45 -14.205 -1.245 -4.444 243 HD3 LYS 45 2HD LYS 45 -16.738 -1.439 -2.983 244 HE3 LYS 45 2HE LYS 45 -15.835 -1.515 -5.886 245 HZ1 LYS 45 1HZ LYS 45 -17.793 -2.490 -6.358 246 HZ2 LYS 45 2HZ LYS 45 -18.310 -2.447 -4.814 247 H GLY 46 H GLY 46 -11.605 -4.198 -2.279 248 HA2 GLY 46 1HA GLY 46 -11.260 -5.980 -0.178 249 HA3 GLY 46 2HA GLY 46 -12.222 -6.814 -1.382 250 HA PRO 47 HA PRO 47 -8.394 -5.881 -3.872 251 HB3 PRO 47 2HB PRO 47 -8.236 -3.692 -4.571 252 HG3 PRO 47 2HG PRO 47 -9.250 -2.160 -3.177 253 HD3 PRO 47 2HD PRO 47 -10.793 -3.512 -2.139 254 H ALA 48 H ALA 48 -6.378 -4.039 -1.808 255 HA ALA 48 HA ALA 48 -4.837 -4.631 -0.309 256 HB1 ALA 48 1HB ALA 48 -5.432 -7.549 -0.324 257 HB2 ALA 48 2HB ALA 48 -5.185 -6.437 1.044 258 HB3 ALA 48 3HB ALA 48 -6.755 -6.483 0.207 259 H THR 49 H THR 49 -2.657 -5.007 -0.646 260 HA THR 49 HA THR 49 -1.983 -6.737 -2.929 261 HB THR 49 HB THR 49 -1.653 -3.834 -2.592 262 HG1 THR 49 HG1 THR 49 -1.134 -5.939 -4.568 263 HG21 THR 49 1HG2 THR 49 0.800 -5.525 -3.312 264 HG22 THR 49 2HG2 THR 49 0.658 -3.764 -3.534 265 HG23 THR 49 3HG2 THR 49 0.672 -4.456 -1.895 Start of MODEL 16 1 H2 GLU 1 1H GLU 1 7.889 -5.976 -3.336 2 HA GLU 1 HA GLU 1 8.431 -3.548 -2.489 3 HB3 GLU 1 2HB GLU 1 8.647 -5.406 -0.178 4 HG3 GLU 1 2HG GLU 1 11.087 -4.723 -0.991 5 HE2 GLU 1 HE GLU 1 10.477 -2.836 1.596 6 H CYS 2 H CYS 2 10.804 -2.977 -2.624 7 HA CYS 2 HA CYS 2 12.076 -3.965 -4.685 8 HB3 CYS 2 2HB CYS 2 14.029 -3.581 -2.562 9 H GLU 3 H GLU 3 12.670 -5.193 -1.302 10 HA GLU 3 HA GLU 3 13.632 -7.649 -2.531 11 HB3 GLU 3 2HB GLU 3 14.076 -7.414 0.359 12 HG3 GLU 3 2HG GLU 3 15.919 -7.601 -2.071 13 HE2 GLU 3 HE GLU 3 18.658 -7.992 -0.040 14 H SER 4 H SER 4 11.408 -6.269 -0.061 15 HA SER 4 HA SER 4 9.374 -7.928 -0.444 16 HB3 SER 4 2HB SER 4 11.450 -9.256 1.298 17 HG SER 4 HG SER 4 8.727 -10.123 1.411 18 H GLY 5 H GLY 5 11.455 -6.096 1.706 19 HA2 GLY 5 1HA GLY 5 9.871 -5.837 3.979 20 HA3 GLY 5 2HA GLY 5 11.027 -4.662 3.381 21 HA PRO 6 HA PRO 6 6.549 -3.563 2.217 22 HB3 PRO 6 2HB PRO 6 4.959 -4.883 3.234 23 HG3 PRO 6 2HG PRO 6 5.760 -6.212 4.940 24 HD3 PRO 6 2HD PRO 6 7.972 -6.367 4.333 25 H CYS 7 H CYS 7 5.241 -1.552 2.690 26 HA CYS 7 HA CYS 7 5.111 0.387 3.962 27 HB3 CYS 7 2HB CYS 7 7.148 1.380 4.993 28 H CYS 8 H CYS 8 7.782 -0.626 1.791 29 HA CYS 8 HA CYS 8 8.224 1.925 0.692 30 HB3 CYS 8 2HB CYS 8 9.565 -0.408 0.623 31 H ARG 9 H ARG 9 7.491 2.743 -1.396 32 HA ARG 9 HA ARG 9 4.909 1.638 -2.080 33 HB3 ARG 9 2HB ARG 9 5.367 4.161 -1.541 34 HG3 ARG 9 2HG ARG 9 6.002 5.509 -3.526 35 HD3 ARG 9 2HD ARG 9 8.432 4.813 -3.680 36 HE ARG 9 HE ARG 9 7.392 4.758 -0.865 37 HH11 ARG 9 2HH2 ARG 9 9.222 6.355 -3.446 38 HH12 ARG 9 1HH2 ARG 9 9.785 7.635 -2.423 39 HH22 ARG 9 1HH ARG 9 9.133 7.669 -0.117 40 H ASN 10 H ASN 10 8.024 1.107 -2.966 41 HA ASN 10 HA ASN 10 7.349 -0.041 -5.389 42 HB3 ASN 10 2HB ASN 10 7.327 2.360 -6.174 43 HD21 ASN 10 1HD2 ASN 10 8.039 4.314 -5.828 44 HD22 ASN 10 2HD2 ASN 10 9.605 4.779 -5.251 45 H CYS 11 H CYS 11 9.588 1.237 -2.989 46 HA CYS 11 HA CYS 11 11.191 -1.015 -3.003 47 HB3 CYS 11 2HB CYS 11 13.297 0.542 -3.765 48 H LYS 12 H LYS 12 10.505 2.388 -2.347 49 HA LYS 12 HA LYS 12 11.984 2.125 0.177 50 HB3 LYS 12 2HB LYS 12 12.842 3.766 -1.719 51 HG3 LYS 12 2HG LYS 12 10.742 5.408 -0.224 52 HD3 LYS 12 2HD LYS 12 11.609 7.063 -2.142 53 HE3 LYS 12 2HE LYS 12 12.913 6.496 0.549 54 HZ1 LYS 12 1HZ LYS 12 14.604 7.755 -0.265 55 HZ2 LYS 12 2HZ LYS 12 13.763 8.318 -1.540 56 H PHE 13 H PHE 13 10.888 2.701 2.047 57 HA PHE 13 HA PHE 13 8.173 2.476 2.098 58 HB3 PHE 13 2HB PHE 13 10.283 3.839 3.844 59 HD1 PHE 13 HD1 PHE 13 6.656 2.997 3.809 60 HD2 PHE 13 HD2 PHE 13 9.806 5.058 5.768 61 HE1 PHE 13 HE1 PHE 13 4.991 4.087 5.339 62 HE2 PHE 13 HE2 PHE 13 8.143 6.148 7.298 63 HZ PHE 13 HZ PHE 13 5.754 5.650 7.066 64 H LEU 14 H LEU 14 6.389 3.876 2.104 65 HA LEU 14 HA LEU 14 6.979 6.529 1.030 66 HB3 LEU 14 2HB LEU 14 4.344 5.059 1.120 67 HG LEU 14 HG LEU 14 3.673 6.452 -0.726 68 HD11 LEU 14 1HD1 LEU 14 3.701 7.254 1.828 69 HD12 LEU 14 2HD1 LEU 14 4.682 8.557 1.115 70 HD13 LEU 14 3HD1 LEU 14 3.039 8.245 0.506 71 HD21 LEU 14 1HD2 LEU 14 6.504 7.049 -0.886 72 HD22 LEU 14 2HD2 LEU 14 5.216 7.279 -2.093 73 HD23 LEU 14 3HD2 LEU 14 5.529 8.538 -0.873 74 H LYS 15 H LYS 15 4.258 5.267 3.061 75 HA LYS 15 HA LYS 15 4.943 6.454 5.427 76 HB3 LYS 15 2HB LYS 15 3.889 8.402 3.452 77 HG3 LYS 15 2HG LYS 15 2.956 8.263 6.355 78 HD3 LYS 15 2HD LYS 15 2.613 10.552 4.364 79 HE3 LYS 15 2HE LYS 15 1.004 9.910 6.487 80 HZ1 LYS 15 1HZ LYS 15 1.691 11.124 8.377 81 HZ2 LYS 15 2HZ LYS 15 3.037 10.311 7.955 82 H GLU 16 H GLU 16 3.878 4.850 6.491 83 HA GLU 16 HA GLU 16 1.969 3.294 5.975 84 HB3 GLU 16 2HB GLU 16 0.896 3.928 8.345 85 HG3 GLU 16 2HG GLU 16 3.806 3.060 8.003 86 HE2 GLU 16 HE GLU 16 1.516 1.373 10.219 87 H GLY 17 H GLY 17 -0.167 3.159 5.313 88 HA2 GLY 17 1HA GLY 17 -2.375 3.932 5.218 89 HA3 GLY 17 2HA GLY 17 -1.827 5.573 5.496 90 H THR 18 H THR 18 0.093 3.678 3.257 91 HA THR 18 HA THR 18 -0.618 5.452 1.117 92 HB THR 18 HB THR 18 1.032 3.105 0.451 93 HG1 THR 18 HG1 THR 18 1.715 4.886 2.682 94 HG21 THR 18 1HG2 THR 18 2.109 4.768 -0.683 95 HG22 THR 18 2HG2 THR 18 1.028 5.969 0.062 96 HG23 THR 18 3HG2 THR 18 2.553 5.525 0.865 97 H ILE 19 H ILE 19 -1.846 2.464 2.347 98 HA ILE 19 HA ILE 19 -3.065 0.832 1.393 99 HB ILE 19 HB ILE 19 -4.906 1.983 1.910 100 HG13 ILE 19 2HG1 ILE 19 -6.139 1.265 0.201 101 HG21 ILE 19 1HG2 ILE 19 -3.953 4.136 2.124 102 HG22 ILE 19 2HG2 ILE 19 -3.744 4.305 0.365 103 HG23 ILE 19 3HG2 ILE 19 -5.376 4.329 1.073 104 HD11 ILE 19 1HD1 ILE 19 -5.394 3.722 -1.415 105 HD12 ILE 19 2HD1 ILE 19 -6.957 2.875 -1.332 106 HD13 ILE 19 3HD1 ILE 19 -6.406 3.863 0.043 107 H CYS 20 H CYS 20 -3.212 -0.540 -0.363 108 HA CYS 20 HA CYS 20 -1.500 -0.229 -2.443 109 HB3 CYS 20 2HB CYS 20 -3.839 -1.955 -1.890 110 H LYS 21 H LYS 21 -4.991 -0.457 -3.272 111 HA LYS 21 HA LYS 21 -4.853 2.152 -4.565 112 HB3 LYS 21 2HB LYS 21 -5.980 1.004 -6.596 113 HG3 LYS 21 2HG LYS 21 -3.070 1.037 -5.815 114 HD3 LYS 21 2HD LYS 21 -4.274 -0.591 -8.032 115 HE3 LYS 21 2HE LYS 21 -1.756 -0.128 -9.026 116 HZ1 LYS 21 1HZ LYS 21 -3.740 -0.077 -10.371 117 HZ2 LYS 21 2HZ LYS 21 -4.274 1.300 -9.686 118 H ARG 22 H ARG 22 -6.287 2.976 -3.008 119 HA ARG 22 HA ARG 22 -8.358 1.859 -1.851 120 HB3 ARG 22 2HB ARG 22 -7.817 4.620 -2.865 121 HG3 ARG 22 2HG ARG 22 -10.294 4.125 -3.422 122 HD3 ARG 22 2HD ARG 22 -10.952 2.773 -1.517 123 HE ARG 22 HE ARG 22 -9.225 3.867 0.085 124 HH11 ARG 22 2HH2 ARG 22 -12.672 4.688 0.105 125 HH12 ARG 22 1HH2 ARG 22 -12.678 5.157 1.772 126 HH22 ARG 22 1HH ARG 22 -10.644 5.028 3.035 127 H ALA 23 H ALA 23 -9.346 0.198 -3.183 128 HA ALA 23 HA ALA 23 -10.494 0.829 -5.697 129 HB1 ALA 23 1HB ALA 23 -11.441 -1.450 -5.497 130 HB2 ALA 23 2HB ALA 23 -9.708 -1.423 -5.088 131 HB3 ALA 23 3HB ALA 23 -10.927 -1.509 -3.793 132 H ARG 24 H ARG 24 -12.183 -0.360 -2.711 133 HA ARG 24 HA ARG 24 -14.637 0.096 -3.166 134 HB3 ARG 24 2HB ARG 24 -13.282 -0.130 -0.855 135 HG3 ARG 24 2HG ARG 24 -14.310 2.748 -0.841 136 HD3 ARG 24 2HD ARG 24 -14.559 1.203 1.297 137 HE ARG 24 HE ARG 24 -11.807 0.888 0.911 138 HH11 ARG 24 2HH2 ARG 24 -13.854 2.164 3.507 139 HH12 ARG 24 1HH2 ARG 24 -12.737 1.742 4.763 140 HH22 ARG 24 1HH ARG 24 -10.675 0.666 4.187 141 H GLY 25 H GLY 25 -12.227 2.714 -2.989 142 HA2 GLY 25 1HA GLY 25 -14.301 4.609 -3.900 143 HA3 GLY 25 2HA GLY 25 -13.170 5.039 -2.632 144 H ASP 26 H ASP 26 -11.278 6.020 -3.226 145 HA ASP 26 HA ASP 26 -10.551 5.731 -6.034 146 HB3 ASP 26 2HB ASP 26 -9.200 7.958 -4.837 147 HD2 ASP 26 HD ASP 26 -10.332 10.140 -6.633 148 H ASP 27 H ASP 27 -8.827 4.269 -6.133 149 HA ASP 27 HA ASP 27 -7.343 3.285 -4.223 150 HB3 ASP 27 2HB ASP 27 -7.216 2.961 -6.809 151 HD2 ASP 27 HD ASP 27 -7.222 4.528 -8.100 152 H MET 28 H MET 28 -5.306 3.800 -3.128 153 HA MET 28 HA MET 28 -4.731 6.655 -3.183 154 HB3 MET 28 2HB MET 28 -3.678 6.121 -0.891 155 HG3 MET 28 2HG MET 28 -5.869 5.780 0.274 156 HE1 MET 28 1HE MET 28 -4.506 7.758 0.610 157 HE2 MET 28 2HE MET 28 -4.873 9.378 -0.027 158 HE3 MET 28 3HE MET 28 -6.028 8.565 1.055 159 H ASP 29 H ASP 29 -2.520 4.414 -1.607 160 HA ASP 29 HA ASP 29 -0.742 4.620 -3.901 161 HB3 ASP 29 2HB ASP 29 1.145 4.871 -2.169 162 HD2 ASP 29 HD ASP 29 -0.391 7.785 -3.853 163 H ASP 30 H ASP 30 0.733 3.467 -1.003 164 HA ASP 30 HA ASP 30 -0.314 0.852 -1.035 165 HB3 ASP 30 2HB ASP 30 0.989 0.389 -2.953 166 HD2 ASP 30 HD ASP 30 2.542 3.455 -2.267 167 H TYR 31 H TYR 31 -0.113 0.306 1.143 168 HA TYR 31 HA TYR 31 2.156 1.476 2.602 169 HB3 TYR 31 2HB TYR 31 -0.713 1.382 2.944 170 HD1 TYR 31 HD1 TYR 31 1.256 0.799 5.999 171 HD2 TYR 31 HD2 TYR 31 -1.641 -0.844 3.313 172 HE1 TYR 31 HE1 TYR 31 0.687 -1.001 7.703 173 HE2 TYR 31 HE2 TYR 31 -2.200 -2.639 5.026 174 HH TYR 31 HH TYR 31 -2.070 -2.918 7.445 175 H CYS 32 H CYS 32 3.424 0.166 3.959 176 HA CYS 32 HA CYS 32 3.871 -2.404 3.164 177 HB3 CYS 32 2HB CYS 32 5.595 -1.447 4.348 178 H ASN 33 H ASN 33 2.852 -4.361 3.552 179 HA ASN 33 HA ASN 33 0.653 -4.255 5.451 180 HB3 ASN 33 2HB ASN 33 -0.036 -4.867 3.172 181 HD21 ASN 33 1HD2 ASN 33 -0.128 -6.845 1.675 182 HD22 ASN 33 2HD2 ASN 33 1.390 -7.471 1.126 183 H GLY 34 H GLY 34 3.671 -4.739 5.923 184 HA2 GLY 34 1HA GLY 34 4.932 -6.034 7.259 185 HA3 GLY 34 2HA GLY 34 3.462 -6.802 7.824 186 H LYS 35 H LYS 35 4.124 -6.799 4.352 187 HA LYS 35 HA LYS 35 5.347 -9.427 4.488 188 HB3 LYS 35 2HB LYS 35 2.545 -9.108 4.101 189 HG3 LYS 35 2HG LYS 35 4.109 -9.975 1.628 190 HD3 LYS 35 2HD LYS 35 2.406 -11.682 2.041 191 HE3 LYS 35 2HE LYS 35 0.446 -9.350 2.300 192 HZ1 LYS 35 1HZ LYS 35 0.130 -12.259 2.077 193 HZ2 LYS 35 2HZ LYS 35 -0.902 -11.456 3.047 194 H THR 36 H THR 36 3.982 -6.769 2.447 195 HA THR 36 HA THR 36 6.484 -6.605 1.035 196 HB THR 36 HB THR 36 3.915 -7.489 -0.386 197 HG1 THR 36 HG1 THR 36 6.568 -8.614 0.178 198 HG21 THR 36 1HG2 THR 36 6.725 -7.259 -1.547 199 HG22 THR 36 2HG2 THR 36 5.190 -7.480 -2.420 200 HG23 THR 36 3HG2 THR 36 5.567 -5.913 -1.665 201 H CYS 37 H CYS 37 6.495 -4.749 -0.516 202 HA CYS 37 HA CYS 37 4.604 -2.738 0.464 203 HB3 CYS 37 2HB CYS 37 7.230 -2.629 0.854 204 H ASP 38 H ASP 38 3.200 -3.799 -1.308 205 HA ASP 38 HA ASP 38 3.752 -2.381 -3.768 206 HB3 ASP 38 2HB ASP 38 4.556 -4.718 -4.099 207 HD2 ASP 38 HD ASP 38 1.706 -7.199 -4.179 208 H CYS 39 H CYS 39 1.991 -1.147 -2.388 209 HA CYS 39 HA CYS 39 -0.094 -0.451 -2.295 210 HB3 CYS 39 2HB CYS 39 -0.101 -1.576 -4.709 211 HA PRO 40 HA PRO 40 -0.780 -4.261 0.358 212 HB3 PRO 40 2HB PRO 40 1.284 -4.997 1.066 213 HG3 PRO 40 2HG PRO 40 3.036 -3.587 0.556 214 HD3 PRO 40 2HD PRO 40 2.149 -2.470 -1.247 215 H ARG 41 H ARG 41 -2.388 -2.199 0.080 216 HA ARG 41 HA ARG 41 -3.459 -2.012 2.620 217 HB3 ARG 41 2HB ARG 41 -2.112 0.560 1.648 218 HG3 ARG 41 2HG ARG 41 -4.115 -0.074 3.795 219 HD3 ARG 41 2HD ARG 41 -1.870 1.975 4.138 220 HE ARG 41 HE ARG 41 -3.911 2.874 5.122 221 HH11 ARG 41 2HH2 ARG 41 -2.832 -0.178 6.563 222 HH12 ARG 41 1HH2 ARG 41 -3.760 0.034 8.011 223 HH22 ARG 41 1HH ARG 41 -5.107 2.000 8.264 224 H ASN 42 H ASN 42 -4.835 -2.833 0.595 225 HA ASN 42 HA ASN 42 -6.329 -0.506 -0.309 226 HB3 ASN 42 2HB ASN 42 -5.209 -1.156 -2.315 227 HD21 ASN 42 1HD2 ASN 42 -4.084 -2.817 -0.327 228 HD22 ASN 42 2HD2 ASN 42 -3.749 -4.374 -1.009 229 HA PRO 43 HA PRO 43 -8.778 -4.002 1.549 230 HB3 PRO 43 2HB PRO 43 -8.099 -4.024 3.749 231 HG3 PRO 43 2HG PRO 43 -6.743 -2.260 4.356 232 HD3 PRO 43 2HD PRO 43 -5.869 -1.693 2.306 233 H HIS 44 H HIS 44 -9.384 -1.965 -0.337 234 HA HIS 44 HA HIS 44 -11.903 -0.945 0.675 235 HB3 HIS 44 2HB HIS 44 -11.874 0.566 -1.100 236 HD1 HIS 44 HD1 HIS 44 -8.999 -0.695 0.815 237 HD2 HIS 44 HD2 HIS 44 -9.785 2.550 -1.726 238 HE1 HIS 44 HE1 HIS 44 -7.135 1.000 1.220 239 H LYS 45 H LYS 45 -12.542 -1.053 -2.485 240 HA LYS 45 HA LYS 45 -14.577 -2.602 -2.658 241 HB3 LYS 45 2HB LYS 45 -13.747 -3.389 -4.960 242 HG3 LYS 45 2HG LYS 45 -13.570 -0.921 -5.746 243 HD3 LYS 45 2HD LYS 45 -15.988 -0.474 -4.629 244 HE3 LYS 45 2HE LYS 45 -15.022 -2.110 -6.897 245 HZ1 LYS 45 1HZ LYS 45 -17.844 -2.506 -6.134 246 HZ2 LYS 45 2HZ LYS 45 -16.964 -3.349 -7.215 247 H GLY 46 H GLY 46 -11.607 -4.370 -3.688 248 HA2 GLY 46 1HA GLY 46 -12.312 -6.537 -1.824 249 HA3 GLY 46 2HA GLY 46 -12.196 -6.872 -3.541 250 HA PRO 47 HA PRO 47 -7.777 -5.850 -3.029 251 HB3 PRO 47 2HB PRO 47 -7.384 -3.735 -3.851 252 HG3 PRO 47 2HG PRO 47 -9.138 -2.260 -3.593 253 HD3 PRO 47 2HD PRO 47 -10.895 -3.737 -3.452 254 H ALA 48 H ALA 48 -5.859 -4.798 -1.353 255 HA ALA 48 HA ALA 48 -5.757 -4.570 1.097 256 HB1 ALA 48 1HB ALA 48 -6.510 -6.659 2.339 257 HB2 ALA 48 2HB ALA 48 -7.819 -5.662 1.658 258 HB3 ALA 48 3HB ALA 48 -7.323 -7.162 0.837 259 H THR 49 H THR 49 -3.559 -4.519 0.556 260 HA THR 49 HA THR 49 -2.321 -7.180 0.279 261 HB THR 49 HB THR 49 -1.760 -4.525 -1.119 262 HG1 THR 49 HG1 THR 49 -3.276 -6.380 -1.826 263 HG21 THR 49 1HG2 THR 49 -0.078 -6.936 -1.691 264 HG22 THR 49 2HG2 THR 49 0.366 -5.213 -1.741 265 HG23 THR 49 3HG2 THR 49 0.309 -6.072 -0.183 Start of MODEL 17 1 H2 GLU 1 1H GLU 1 7.773 -2.791 -5.222 2 HA GLU 1 HA GLU 1 8.081 -4.481 -2.878 3 HB3 GLU 1 2HB GLU 1 8.657 -6.351 -4.656 4 HG3 GLU 1 2HG GLU 1 5.746 -6.030 -4.782 5 HE2 GLU 1 HE GLU 1 7.031 -8.342 -2.085 6 H CYS 2 H CYS 2 10.124 -4.166 -2.117 7 HA CYS 2 HA CYS 2 12.160 -3.448 -4.091 8 HB3 CYS 2 2HB CYS 2 12.237 -2.989 -1.104 9 H GLU 3 H GLU 3 11.885 -5.080 -0.839 10 HA GLU 3 HA GLU 3 13.514 -7.218 -1.961 11 HB3 GLU 3 2HB GLU 3 15.012 -5.898 -0.580 12 HG3 GLU 3 2HG GLU 3 12.623 -5.733 1.164 13 HE2 GLU 3 HE GLU 3 16.160 -6.226 2.744 14 H SER 4 H SER 4 10.595 -6.985 -1.708 15 HA SER 4 HA SER 4 8.953 -8.327 -1.202 16 HB3 SER 4 2HB SER 4 11.131 -9.976 0.129 17 HG SER 4 HG SER 4 8.284 -10.415 0.034 18 H GLY 5 H GLY 5 10.694 -6.423 0.868 19 HA2 GLY 5 1HA GLY 5 9.147 -7.043 3.281 20 HA3 GLY 5 2HA GLY 5 10.537 -5.984 3.156 21 HA PRO 6 HA PRO 6 6.455 -3.725 2.463 22 HB3 PRO 6 2HB PRO 6 4.774 -4.695 3.703 23 HG3 PRO 6 2HG PRO 6 5.487 -6.298 5.202 24 HD3 PRO 6 2HD PRO 6 7.462 -6.934 4.211 25 H CYS 7 H CYS 7 5.758 -1.505 3.273 26 HA CYS 7 HA CYS 7 6.284 0.463 4.142 27 HB3 CYS 7 2HB CYS 7 8.426 0.665 5.581 28 H CYS 8 H CYS 8 6.879 -0.344 1.507 29 HA CYS 8 HA CYS 8 8.982 1.490 0.903 30 HB3 CYS 8 2HB CYS 8 9.954 -0.952 1.348 31 H ARG 9 H ARG 9 6.538 2.098 0.294 32 HA ARG 9 HA ARG 9 4.870 1.204 -1.323 33 HB3 ARG 9 2HB ARG 9 4.533 3.477 -1.309 34 HG3 ARG 9 2HG ARG 9 7.561 3.608 -1.399 35 HD3 ARG 9 2HD ARG 9 5.578 5.866 -1.906 36 HE ARG 9 HE ARG 9 7.736 6.095 -0.142 37 HH11 ARG 9 2HH2 ARG 9 6.880 7.533 -3.266 38 HH12 ARG 9 1HH2 ARG 9 7.737 9.007 -2.961 39 HH22 ARG 9 1HH ARG 9 8.898 9.282 -0.884 40 H ASN 10 H ASN 10 8.047 2.335 -2.707 41 HA ASN 10 HA ASN 10 7.702 0.297 -4.748 42 HB3 ASN 10 2HB ASN 10 7.099 2.624 -5.636 43 HD21 ASN 10 1HD2 ASN 10 7.823 4.000 -3.767 44 HD22 ASN 10 2HD2 ASN 10 9.212 5.010 -3.997 45 H CYS 11 H CYS 11 9.370 1.207 -2.130 46 HA CYS 11 HA CYS 11 11.362 0.077 -1.634 47 HB3 CYS 11 2HB CYS 11 12.361 1.004 -4.335 48 H LYS 12 H LYS 12 10.720 2.049 -0.249 49 HA LYS 12 HA LYS 12 12.853 3.658 0.227 50 HB3 LYS 12 2HB LYS 12 11.358 5.798 -0.805 51 HG3 LYS 12 2HG LYS 12 13.469 5.335 -2.591 52 HD3 LYS 12 2HD LYS 12 14.647 6.579 -0.370 53 HE3 LYS 12 2HE LYS 12 13.037 8.492 -1.829 54 HZ1 LYS 12 1HZ LYS 12 15.842 7.753 -1.554 55 HZ2 LYS 12 2HZ LYS 12 15.469 8.594 -2.897 56 H PHE 13 H PHE 13 9.387 3.038 0.210 57 HA PHE 13 HA PHE 13 8.011 2.998 1.971 58 HB3 PHE 13 2HB PHE 13 9.905 4.813 3.534 59 HD1 PHE 13 HD1 PHE 13 6.831 3.722 3.588 60 HD2 PHE 13 HD2 PHE 13 10.396 2.956 5.759 61 HE1 PHE 13 HE1 PHE 13 5.470 3.013 5.574 62 HE2 PHE 13 HE2 PHE 13 9.035 2.246 7.744 63 HZ PHE 13 HZ PHE 13 6.588 2.283 7.629 64 H LEU 14 H LEU 14 6.192 4.225 1.844 65 HA LEU 14 HA LEU 14 6.489 6.987 1.053 66 HB3 LEU 14 2HB LEU 14 4.018 5.289 1.431 67 HG LEU 14 HG LEU 14 2.991 6.830 -0.218 68 HD11 LEU 14 1HD1 LEU 14 3.561 8.760 1.889 69 HD12 LEU 14 2HD1 LEU 14 2.043 7.930 1.470 70 HD13 LEU 14 3HD1 LEU 14 3.231 7.133 2.529 71 HD21 LEU 14 1HD2 LEU 14 3.974 9.040 -0.615 72 HD22 LEU 14 2HD2 LEU 14 5.426 8.559 0.297 73 HD23 LEU 14 3HD2 LEU 14 5.018 7.733 -1.226 74 H LYS 15 H LYS 15 4.388 5.332 3.515 75 HA LYS 15 HA LYS 15 5.353 6.546 5.744 76 HB3 LYS 15 2HB LYS 15 3.659 8.401 4.139 77 HG3 LYS 15 2HG LYS 15 3.729 8.675 7.150 78 HD3 LYS 15 2HD LYS 15 2.558 10.064 4.872 79 HE3 LYS 15 2HE LYS 15 0.619 9.265 7.095 80 HZ1 LYS 15 1HZ LYS 15 0.293 11.496 6.139 81 HZ2 LYS 15 2HZ LYS 15 0.227 10.881 4.632 82 H GLU 16 H GLU 16 4.690 4.824 6.935 83 HA GLU 16 HA GLU 16 2.839 3.091 6.657 84 HB3 GLU 16 2HB GLU 16 2.338 3.766 9.337 85 HG3 GLU 16 2HG GLU 16 4.892 2.356 8.573 86 HE2 GLU 16 HE GLU 16 1.750 1.796 10.433 87 H GLY 17 H GLY 17 1.055 3.751 5.344 88 HA2 GLY 17 1HA GLY 17 -1.335 4.260 6.560 89 HA3 GLY 17 2HA GLY 17 -0.703 5.853 6.195 90 H THR 18 H THR 18 0.859 4.636 3.808 91 HA THR 18 HA THR 18 -0.713 5.400 1.760 92 HB THR 18 HB THR 18 0.737 3.211 0.750 93 HG1 THR 18 HG1 THR 18 2.685 4.084 2.388 94 HG21 THR 18 1HG2 THR 18 0.880 5.958 0.513 95 HG22 THR 18 2HG2 THR 18 2.352 5.625 1.456 96 HG23 THR 18 3HG2 THR 18 2.116 4.849 -0.129 97 H ILE 19 H ILE 19 -1.159 3.396 -0.095 98 HA ILE 19 HA ILE 19 -2.646 1.254 0.938 99 HB ILE 19 HB ILE 19 -4.440 2.388 1.627 100 HG13 ILE 19 2HG1 ILE 19 -5.923 1.607 0.169 101 HG21 ILE 19 1HG2 ILE 19 -5.080 4.669 0.541 102 HG22 ILE 19 2HG2 ILE 19 -3.699 4.576 1.660 103 HG23 ILE 19 3HG2 ILE 19 -3.420 4.625 -0.097 104 HD11 ILE 19 1HD1 ILE 19 -5.188 4.086 -1.453 105 HD12 ILE 19 2HD1 ILE 19 -6.578 3.031 -1.804 106 HD13 ILE 19 3HD1 ILE 19 -6.515 3.940 -0.275 107 H CYS 20 H CYS 20 -2.504 -0.260 -0.626 108 HA CYS 20 HA CYS 20 -1.271 -0.010 -2.948 109 HB3 CYS 20 2HB CYS 20 -3.508 -1.794 -2.088 110 H LYS 21 H LYS 21 -4.825 -0.486 -3.276 111 HA LYS 21 HA LYS 21 -4.989 1.989 -4.816 112 HB3 LYS 21 2HB LYS 21 -4.970 -0.680 -5.938 113 HG3 LYS 21 2HG LYS 21 -7.467 1.031 -6.331 114 HD3 LYS 21 2HD LYS 21 -7.746 -1.236 -7.910 115 HE3 LYS 21 2HE LYS 21 -7.117 0.431 -9.831 116 HZ1 LYS 21 1HZ LYS 21 -9.132 1.817 -9.171 117 HZ2 LYS 21 2HZ LYS 21 -9.391 0.213 -9.267 118 H ARG 22 H ARG 22 -6.798 3.140 -4.327 119 HA ARG 22 HA ARG 22 -8.430 2.177 -2.278 120 HB3 ARG 22 2HB ARG 22 -8.836 4.557 -4.161 121 HG3 ARG 22 2HG ARG 22 -10.917 4.257 -3.037 122 HD3 ARG 22 2HD ARG 22 -10.072 2.461 -1.456 123 HE ARG 22 HE ARG 22 -8.186 3.527 -0.355 124 HH11 ARG 22 2HH2 ARG 22 -11.329 4.843 0.614 125 HH12 ARG 22 1HH2 ARG 22 -10.717 5.571 2.062 126 HH22 ARG 22 1HH ARG 22 -8.391 5.349 2.594 127 H ALA 23 H ALA 23 -8.906 0.091 -3.697 128 HA ALA 23 HA ALA 23 -10.398 -0.044 -5.905 129 HB1 ALA 23 1HB ALA 23 -9.568 -1.906 -4.365 130 HB2 ALA 23 2HB ALA 23 -11.051 -1.653 -3.413 131 HB3 ALA 23 3HB ALA 23 -11.161 -2.167 -5.114 132 H ARG 24 H ARG 24 -12.020 -0.101 -2.652 133 HA ARG 24 HA ARG 24 -14.509 0.233 -3.362 134 HB3 ARG 24 2HB ARG 24 -13.515 0.244 -0.995 135 HG3 ARG 24 2HG ARG 24 -13.558 3.269 -1.404 136 HD3 ARG 24 2HD ARG 24 -13.782 1.770 0.931 137 HE ARG 24 HE ARG 24 -10.958 1.865 0.264 138 HH11 ARG 24 2HH2 ARG 24 -13.218 2.132 2.981 139 HH12 ARG 24 1HH2 ARG 24 -12.048 1.643 4.162 140 HH22 ARG 24 1HH ARG 24 -9.820 1.112 3.458 141 H GLY 25 H GLY 25 -11.944 2.560 -3.911 142 HA2 GLY 25 1HA GLY 25 -13.891 4.392 -5.142 143 HA3 GLY 25 2HA GLY 25 -12.734 5.016 -3.983 144 H ASP 26 H ASP 26 -10.503 5.188 -4.526 145 HA ASP 26 HA ASP 26 -9.726 4.188 -7.108 146 HB3 ASP 26 2HB ASP 26 -8.649 6.771 -7.144 147 HD2 ASP 26 HD ASP 26 -8.924 5.705 -9.716 148 H ASP 27 H ASP 27 -7.808 3.136 -6.567 149 HA ASP 27 HA ASP 27 -6.447 2.952 -4.455 150 HB3 ASP 27 2HB ASP 27 -5.785 2.450 -7.004 151 HD2 ASP 27 HD ASP 27 -2.717 3.729 -6.085 152 H MET 28 H MET 28 -4.997 4.129 -3.064 153 HA MET 28 HA MET 28 -4.903 6.981 -3.647 154 HB3 MET 28 2HB MET 28 -4.686 7.267 -1.206 155 HG3 MET 28 2HG MET 28 -6.714 5.900 -0.394 156 HE1 MET 28 1HE MET 28 -8.732 8.034 -0.214 157 HE2 MET 28 2HE MET 28 -7.008 8.015 0.227 158 HE3 MET 28 3HE MET 28 -7.679 9.390 -0.684 159 H ASP 29 H ASP 29 -2.917 4.463 -1.913 160 HA ASP 29 HA ASP 29 -0.624 5.444 -3.360 161 HB3 ASP 29 2HB ASP 29 0.731 5.689 -1.324 162 HD2 ASP 29 HD ASP 29 0.872 7.618 -1.752 163 H ASP 30 H ASP 30 0.702 3.876 -0.795 164 HA ASP 30 HA ASP 30 -0.216 1.259 -1.076 165 HB3 ASP 30 2HB ASP 30 0.815 1.007 -3.170 166 HD2 ASP 30 HD ASP 30 2.785 4.184 -3.162 167 H TYR 31 H TYR 31 0.064 0.985 1.169 168 HA TYR 31 HA TYR 31 2.627 1.805 2.321 169 HB3 TYR 31 2HB TYR 31 -0.157 1.911 3.026 170 HD1 TYR 31 HD2 TYR 31 -0.955 -0.511 3.133 171 HD2 TYR 31 HD1 TYR 31 1.771 1.156 5.978 172 HE1 TYR 31 HE2 TYR 31 -1.498 -2.387 4.761 173 HE2 TYR 31 HE1 TYR 31 1.219 -0.724 7.597 174 HH TYR 31 HH TYR 31 -1.428 -2.837 7.071 175 H CYS 32 H CYS 32 3.580 0.327 4.013 176 HA CYS 32 HA CYS 32 4.169 -2.121 2.927 177 HB3 CYS 32 2HB CYS 32 5.743 -1.781 4.451 178 H ASN 33 H ASN 33 3.754 -3.774 5.444 179 HA ASN 33 HA ASN 33 1.355 -4.051 6.411 180 HB3 ASN 33 2HB ASN 33 0.532 -3.922 3.950 181 HD21 ASN 33 1HD2 ASN 33 -0.578 -6.395 3.050 182 HD22 ASN 33 2HD2 ASN 33 0.639 -7.258 2.171 183 H GLY 34 H GLY 34 4.087 -4.864 6.783 184 HA2 GLY 34 1HA GLY 34 5.474 -6.690 6.980 185 HA3 GLY 34 2HA GLY 34 4.149 -7.155 8.030 186 H LYS 35 H LYS 35 4.999 -7.178 4.491 187 HA LYS 35 HA LYS 35 4.880 -9.916 4.215 188 HB3 LYS 35 2HB LYS 35 2.465 -9.378 2.818 189 HG3 LYS 35 2HG LYS 35 2.910 -10.923 5.414 190 HD3 LYS 35 2HD LYS 35 0.803 -10.914 3.243 191 HE3 LYS 35 2HE LYS 35 1.948 -13.254 3.470 192 HZ1 LYS 35 1HZ LYS 35 0.308 -13.439 5.912 193 HZ2 LYS 35 2HZ LYS 35 1.500 -14.433 5.417 194 H THR 36 H THR 36 4.355 -6.651 2.889 195 HA THR 36 HA THR 36 6.315 -6.943 0.939 196 HB THR 36 HB THR 36 4.677 -8.554 -0.074 197 HG1 THR 36 HG1 THR 36 4.681 -5.970 -1.444 198 HG21 THR 36 1HG2 THR 36 2.802 -6.385 0.558 199 HG22 THR 36 2HG2 THR 36 2.794 -6.744 -1.186 200 HG23 THR 36 3HG2 THR 36 2.450 -8.035 -0.011 201 H CYS 37 H CYS 37 6.325 -5.051 -0.616 202 HA CYS 37 HA CYS 37 4.855 -2.825 0.592 203 HB3 CYS 37 2HB CYS 37 7.111 -2.674 1.390 204 H ASP 38 H ASP 38 3.498 -3.874 -1.367 205 HA ASP 38 HA ASP 38 4.220 -2.267 -3.674 206 HB3 ASP 38 2HB ASP 38 2.876 -4.885 -4.213 207 HD2 ASP 38 HD ASP 38 3.984 -4.581 -7.378 208 H CYS 39 H CYS 39 2.493 -0.990 -2.304 209 HA CYS 39 HA CYS 39 0.461 -0.144 -2.271 210 HB3 CYS 39 2HB CYS 39 0.436 -1.044 -4.716 211 HA PRO 40 HA PRO 40 -0.578 -3.986 0.220 212 HB3 PRO 40 2HB PRO 40 1.404 -4.896 0.958 213 HG3 PRO 40 2HG PRO 40 3.269 -3.602 0.552 214 HD3 PRO 40 2HD PRO 40 2.523 -2.360 -1.233 215 H ARG 41 H ARG 41 -2.041 -1.826 -0.023 216 HA ARG 41 HA ARG 41 -3.091 -1.617 2.548 217 HB3 ARG 41 2HB ARG 41 -1.628 0.852 1.485 218 HG3 ARG 41 2HG ARG 41 -3.945 0.607 3.238 219 HD3 ARG 41 2HD ARG 41 -2.631 2.397 4.843 220 HE ARG 41 HE ARG 41 -2.411 -0.394 5.730 221 HH11 ARG 41 2HH2 ARG 41 -4.622 2.323 5.202 222 HH12 ARG 41 1HH2 ARG 41 -5.816 1.727 6.306 223 HH22 ARG 41 1HH ARG 41 -5.422 -0.335 7.461 224 H ASN 42 H ASN 42 -4.780 -2.383 0.955 225 HA ASN 42 HA ASN 42 -6.217 -0.092 -0.012 226 HB3 ASN 42 2HB ASN 42 -5.181 -0.563 -2.093 227 HD21 ASN 42 1HD2 ASN 42 -4.141 -2.426 -0.021 228 HD22 ASN 42 2HD2 ASN 42 -3.597 -3.839 -0.861 229 HA PRO 43 HA PRO 43 -8.551 -3.677 1.760 230 HB3 PRO 43 2HB PRO 43 -7.974 -3.569 3.986 231 HG3 PRO 43 2HG PRO 43 -6.771 -1.693 4.580 232 HD3 PRO 43 2HD PRO 43 -5.845 -1.143 2.550 233 H HIS 44 H HIS 44 -9.306 -2.097 -0.320 234 HA HIS 44 HA HIS 44 -11.921 -1.142 0.569 235 HB3 HIS 44 2HB HIS 44 -11.781 0.510 -0.946 236 HD1 HIS 44 HD1 HIS 44 -9.346 -0.073 1.132 237 HD2 HIS 44 HD2 HIS 44 -9.041 1.240 -2.840 238 HE1 HIS 44 HE1 HIS 44 -7.093 1.109 0.942 239 H LYS 45 H LYS 45 -12.729 -1.265 -2.404 240 HA LYS 45 HA LYS 45 -14.447 -3.087 -2.657 241 HB3 LYS 45 2HB LYS 45 -13.714 -3.619 -4.987 242 HG3 LYS 45 2HG LYS 45 -13.280 -0.991 -5.490 243 HD3 LYS 45 2HD LYS 45 -15.456 -2.636 -5.595 244 HE3 LYS 45 2HE LYS 45 -16.749 -0.453 -4.084 245 HZ1 LYS 45 1HZ LYS 45 -16.938 -3.400 -4.222 246 HZ2 LYS 45 2HZ LYS 45 -17.777 -2.568 -3.100 247 H GLY 46 H GLY 46 -11.279 -4.413 -3.760 248 HA2 GLY 46 1HA GLY 46 -11.520 -6.626 -1.870 249 HA3 GLY 46 2HA GLY 46 -11.670 -7.016 -3.572 250 HA PRO 47 HA PRO 47 -7.338 -5.392 -3.640 251 HB3 PRO 47 2HB PRO 47 -7.257 -3.109 -3.923 252 HG3 PRO 47 2HG PRO 47 -9.048 -1.963 -3.029 253 HD3 PRO 47 2HD PRO 47 -10.636 -3.627 -3.025 254 H ALA 48 H ALA 48 -5.383 -4.306 -1.822 255 HA ALA 48 HA ALA 48 -4.772 -4.748 0.430 256 HB1 ALA 48 1HB ALA 48 -5.334 -6.891 1.470 257 HB2 ALA 48 2HB ALA 48 -6.815 -6.102 0.875 258 HB3 ALA 48 3HB ALA 48 -6.096 -7.450 -0.039 259 H THR 49 H THR 49 -2.594 -4.985 0.427 260 HA THR 49 HA THR 49 -1.447 -7.258 -0.987 261 HB THR 49 HB THR 49 -1.177 -4.342 -1.746 262 HG1 THR 49 HG1 THR 49 -2.298 -6.390 -2.788 263 HG21 THR 49 1HG2 THR 49 1.069 -6.277 -1.463 264 HG22 THR 49 2HG2 THR 49 0.886 -5.616 -3.106 265 HG23 THR 49 3HG2 THR 49 1.123 -4.518 -1.725 Start of MODEL 18 1 H2 GLU 1 1H GLU 1 8.297 -2.642 -4.718 2 HA GLU 1 HA GLU 1 8.195 -3.789 -2.042 3 HB3 GLU 1 2HB GLU 1 6.838 -5.041 -3.615 4 HG3 GLU 1 2HG GLU 1 9.093 -4.465 -5.427 5 HE2 GLU 1 HE GLU 1 10.108 -7.715 -5.076 6 H CYS 2 H CYS 2 10.240 -2.628 -1.526 7 HA CYS 2 HA CYS 2 12.550 -2.642 -2.837 8 HB3 CYS 2 2HB CYS 2 12.720 -3.441 0.030 9 H GLU 3 H GLU 3 11.188 -5.371 -0.875 10 HA GLU 3 HA GLU 3 12.157 -7.311 -2.558 11 HB3 GLU 3 2HB GLU 3 13.834 -8.069 -0.432 12 HG3 GLU 3 2HG GLU 3 15.578 -7.006 -2.273 13 HE2 GLU 3 HE GLU 3 14.459 -9.604 -4.278 14 H SER 4 H SER 4 9.714 -6.877 -1.412 15 HA SER 4 HA SER 4 8.212 -8.357 -0.631 16 HB3 SER 4 2HB SER 4 10.184 -9.503 1.368 17 HG SER 4 HG SER 4 8.734 -11.431 0.454 18 H GLY 5 H GLY 5 10.581 -7.612 2.041 19 HA2 GLY 5 1HA GLY 5 8.985 -7.064 4.105 20 HA3 GLY 5 2HA GLY 5 10.408 -6.108 3.738 21 HA PRO 6 HA PRO 6 6.365 -3.847 2.685 22 HB3 PRO 6 2HB PRO 6 4.492 -4.847 3.576 23 HG3 PRO 6 2HG PRO 6 4.928 -6.503 5.121 24 HD3 PRO 6 2HD PRO 6 7.046 -7.119 4.473 25 H CYS 7 H CYS 7 5.531 -1.653 3.442 26 HA CYS 7 HA CYS 7 5.909 0.292 4.421 27 HB3 CYS 7 2HB CYS 7 7.859 0.319 6.235 28 H CYS 8 H CYS 8 6.772 0.210 1.998 29 HA CYS 8 HA CYS 8 9.337 1.502 2.070 30 HB3 CYS 8 2HB CYS 8 10.618 -0.014 1.071 31 H ARG 9 H ARG 9 6.518 0.169 0.258 32 HA ARG 9 HA ARG 9 5.185 1.103 -1.177 33 HB3 ARG 9 2HB ARG 9 6.765 3.524 -0.368 34 HG3 ARG 9 2HG ARG 9 4.968 4.599 -2.180 35 HD3 ARG 9 2HD ARG 9 6.959 5.153 -3.548 36 HE ARG 9 HE ARG 9 7.251 5.275 -0.585 37 HH11 ARG 9 2HH2 ARG 9 8.113 6.580 -3.764 38 HH12 ARG 9 1HH2 ARG 9 8.768 8.049 -3.121 39 HH22 ARG 9 1HH ARG 9 8.759 8.399 -0.751 40 H ASN 10 H ASN 10 8.638 2.091 -1.687 41 HA ASN 10 HA ASN 10 8.619 0.714 -4.181 42 HB3 ASN 10 2HB ASN 10 7.805 3.241 -4.498 43 HD21 ASN 10 1HD2 ASN 10 9.617 3.465 -2.315 44 HD22 ASN 10 2HD2 ASN 10 10.754 4.726 -2.661 45 H CYS 11 H CYS 11 9.937 0.844 -1.412 46 HA CYS 11 HA CYS 11 11.975 0.196 -0.755 47 HB3 CYS 11 2HB CYS 11 13.350 1.327 -3.169 48 H LYS 12 H LYS 12 11.038 2.157 0.548 49 HA LYS 12 HA LYS 12 13.004 3.814 1.341 50 HB3 LYS 12 2HB LYS 12 11.681 5.908 -0.023 51 HG3 LYS 12 2HG LYS 12 14.366 4.809 -0.874 52 HD3 LYS 12 2HD LYS 12 13.180 7.112 -1.529 53 HE3 LYS 12 2HE LYS 12 14.515 7.729 1.152 54 HZ1 LYS 12 1HZ LYS 12 13.850 9.358 -1.137 55 HZ2 LYS 12 2HZ LYS 12 13.241 9.940 0.256 56 H PHE 13 H PHE 13 9.627 3.095 0.754 57 HA PHE 13 HA PHE 13 7.953 3.097 2.229 58 HB3 PHE 13 2HB PHE 13 9.461 5.008 4.059 59 HD1 PHE 13 HD1 PHE 13 6.482 3.940 3.666 60 HD2 PHE 13 HD2 PHE 13 9.681 2.984 6.286 61 HE1 PHE 13 HE1 PHE 13 4.835 3.157 5.392 62 HE2 PHE 13 HE2 PHE 13 8.035 2.202 8.011 63 HZ PHE 13 HZ PHE 13 5.632 2.297 7.544 64 H LEU 14 H LEU 14 6.169 4.278 1.730 65 HA LEU 14 HA LEU 14 6.557 7.025 0.922 66 HB3 LEU 14 2HB LEU 14 3.970 5.490 0.947 67 HG LEU 14 HG LEU 14 3.362 6.760 -0.966 68 HD11 LEU 14 1HD1 LEU 14 4.607 8.807 0.872 69 HD12 LEU 14 2HD1 LEU 14 3.101 8.924 -0.070 70 HD13 LEU 14 3HD1 LEU 14 3.190 7.832 1.334 71 HD21 LEU 14 1HD2 LEU 14 5.607 6.762 -2.031 72 HD22 LEU 14 2HD2 LEU 14 4.779 8.336 -2.106 73 HD23 LEU 14 3HD2 LEU 14 6.090 8.076 -0.931 74 H LYS 15 H LYS 15 4.315 5.251 3.175 75 HA LYS 15 HA LYS 15 4.747 6.556 5.443 76 HB3 LYS 15 2HB LYS 15 3.547 8.439 3.520 77 HG3 LYS 15 2HG LYS 15 2.216 7.750 6.116 78 HD3 LYS 15 2HD LYS 15 2.712 10.613 5.176 79 HE3 LYS 15 2HE LYS 15 1.278 10.601 7.612 80 HZ1 LYS 15 1HZ LYS 15 -0.159 11.913 6.388 81 HZ2 LYS 15 2HZ LYS 15 1.143 12.000 5.414 82 H GLU 16 H GLU 16 3.844 4.905 6.563 83 HA GLU 16 HA GLU 16 2.123 3.128 6.032 84 HB3 GLU 16 2HB GLU 16 1.098 3.381 8.379 85 HG3 GLU 16 2HG GLU 16 4.098 3.452 7.870 86 HE2 GLU 16 HE GLU 16 2.986 1.992 11.245 87 H GLY 17 H GLY 17 0.748 3.738 4.237 88 HA2 GLY 17 1HA GLY 17 -1.850 3.989 4.542 89 HA3 GLY 17 2HA GLY 17 -1.385 5.660 4.800 90 H THR 18 H THR 18 -0.475 2.967 2.518 91 HA THR 18 HA THR 18 -1.055 4.802 0.305 92 HB THR 18 HB THR 18 1.267 3.160 -0.285 93 HG1 THR 18 HG1 THR 18 1.317 4.939 2.051 94 HG21 THR 18 1HG2 THR 18 1.687 5.126 -1.374 95 HG22 THR 18 2HG2 THR 18 0.410 5.952 -0.450 96 HG23 THR 18 3HG2 THR 18 2.061 5.854 0.206 97 H ILE 19 H ILE 19 -3.052 3.296 0.779 98 HA ILE 19 HA ILE 19 -3.178 0.674 0.352 99 HB ILE 19 HB ILE 19 -5.213 1.584 0.696 100 HG13 ILE 19 2HG1 ILE 19 -6.416 0.574 -0.880 101 HG21 ILE 19 1HG2 ILE 19 -4.388 3.778 -1.202 102 HG22 ILE 19 2HG2 ILE 19 -6.070 3.588 -0.653 103 HG23 ILE 19 3HG2 ILE 19 -4.774 3.879 0.533 104 HD11 ILE 19 1HD1 ILE 19 -5.510 1.857 -3.353 105 HD12 ILE 19 2HD1 ILE 19 -7.139 1.811 -2.637 106 HD13 ILE 19 3HD1 ILE 19 -5.977 3.059 -2.127 107 H CYS 20 H CYS 20 -3.376 -0.782 -1.461 108 HA CYS 20 HA CYS 20 -1.449 -0.300 -3.423 109 HB3 CYS 20 2HB CYS 20 -3.424 -2.433 -2.824 110 H LYS 21 H LYS 21 -4.968 -1.033 -3.983 111 HA LYS 21 HA LYS 21 -4.962 1.114 -5.987 112 HB3 LYS 21 2HB LYS 21 -6.553 -0.373 -7.288 113 HG3 LYS 21 2HG LYS 21 -4.278 -2.065 -7.506 114 HD3 LYS 21 2HD LYS 21 -4.412 0.572 -8.964 115 HE3 LYS 21 2HE LYS 21 -4.427 -1.593 -10.750 116 HZ1 LYS 21 1HZ LYS 21 -2.449 -0.656 -11.338 117 HZ2 LYS 21 2HZ LYS 21 -2.874 0.531 -10.309 118 H ARG 22 H ARG 22 -7.138 2.052 -6.396 119 HA ARG 22 HA ARG 22 -8.461 2.316 -3.883 120 HB3 ARG 22 2HB ARG 22 -8.818 3.656 -6.603 121 HG3 ARG 22 2HG ARG 22 -10.914 4.231 -5.925 122 HD3 ARG 22 2HD ARG 22 -10.802 2.304 -4.243 123 HE ARG 22 HE ARG 22 -9.063 3.502 -2.752 124 HH11 ARG 22 2HH2 ARG 22 -12.551 3.759 -2.183 125 HH12 ARG 22 1HH2 ARG 22 -12.377 4.067 -0.487 126 HH22 ARG 22 1HH ARG 22 -10.182 4.149 0.472 127 H ALA 23 H ALA 23 -9.708 0.454 -3.462 128 HA ALA 23 HA ALA 23 -11.385 -0.586 -5.587 129 HB1 ALA 23 1HB ALA 23 -10.103 -1.587 -3.205 130 HB2 ALA 23 2HB ALA 23 -11.854 -1.890 -3.098 131 HB3 ALA 23 3HB ALA 23 -10.930 -2.494 -4.495 132 H ARG 24 H ARG 24 -11.818 0.530 -2.148 133 HA ARG 24 HA ARG 24 -14.504 0.568 -2.131 134 HB3 ARG 24 2HB ARG 24 -13.886 2.840 -0.643 135 HG3 ARG 24 2HG ARG 24 -13.456 -0.086 0.127 136 HD3 ARG 24 2HD ARG 24 -13.959 0.740 2.445 137 HE ARG 24 HE ARG 24 -11.512 1.584 1.012 138 HH11 ARG 24 2HH2 ARG 24 -13.105 1.114 4.141 139 HH12 ARG 24 1HH2 ARG 24 -11.620 1.075 5.032 140 HH22 ARG 24 1HH ARG 24 -9.543 1.324 3.863 141 H GLY 25 H GLY 25 -12.407 3.487 -2.767 142 HA2 GLY 25 1HA GLY 25 -13.980 4.338 -4.986 143 HA3 GLY 25 2HA GLY 25 -14.389 5.239 -3.540 144 H ASP 26 H ASP 26 -11.909 5.389 -2.194 145 HA ASP 26 HA ASP 26 -10.329 6.847 -4.165 146 HB3 ASP 26 2HB ASP 26 -10.329 7.503 -1.206 147 HD2 ASP 26 HD ASP 26 -10.764 9.956 -1.394 148 H ASP 27 H ASP 27 -8.270 5.954 -4.385 149 HA ASP 27 HA ASP 27 -7.420 4.129 -2.313 150 HB3 ASP 27 2HB ASP 27 -7.200 4.228 -5.171 151 HD2 ASP 27 HD ASP 27 -5.279 6.050 -5.316 152 H MET 28 H MET 28 -4.652 4.203 -2.491 153 HA MET 28 HA MET 28 -4.020 7.007 -1.979 154 HB3 MET 28 2HB MET 28 -2.375 6.064 -0.249 155 HG3 MET 28 2HG MET 28 -4.290 5.199 1.334 156 HE1 MET 28 1HE MET 28 -6.680 7.999 1.190 157 HE2 MET 28 2HE MET 28 -6.135 6.680 2.253 158 HE3 MET 28 3HE MET 28 -5.765 8.370 2.671 159 H ASP 29 H ASP 29 -2.160 3.889 -2.194 160 HA ASP 29 HA ASP 29 -1.080 4.478 -4.682 161 HB3 ASP 29 2HB ASP 29 1.349 4.602 -3.283 162 HD2 ASP 29 HD ASP 29 1.991 7.315 -3.350 163 H ASP 30 H ASP 30 1.079 3.454 -2.024 164 HA ASP 30 HA ASP 30 0.267 0.777 -1.986 165 HB3 ASP 30 2HB ASP 30 1.287 0.169 -3.954 166 HD2 ASP 30 HD ASP 30 1.227 1.584 -5.511 167 H TYR 31 H TYR 31 0.645 0.671 0.251 168 HA TYR 31 HA TYR 31 3.283 1.583 1.183 169 HB3 TYR 31 2HB TYR 31 0.643 2.298 1.892 170 HD1 TYR 31 HD2 TYR 31 -0.488 -0.063 2.173 171 HD2 TYR 31 HD1 TYR 31 2.160 1.693 5.039 172 HE1 TYR 31 HE2 TYR 31 -1.438 -1.570 3.987 173 HE2 TYR 31 HE1 TYR 31 1.201 0.179 6.842 174 HH TYR 31 HH TYR 31 0.078 -1.986 6.962 175 H CYS 32 H CYS 32 3.463 0.411 3.628 176 HA CYS 32 HA CYS 32 4.184 -2.197 2.983 177 HB3 CYS 32 2HB CYS 32 5.413 -1.573 4.746 178 H ASN 33 H ASN 33 3.119 -3.525 5.451 179 HA ASN 33 HA ASN 33 0.511 -3.500 5.848 180 HB3 ASN 33 2HB ASN 33 0.159 -3.738 3.366 181 HD21 ASN 33 1HD2 ASN 33 -0.438 -6.640 2.782 182 HD22 ASN 33 2HD2 ASN 33 1.015 -7.284 2.092 183 H GLY 34 H GLY 34 3.338 -4.464 6.583 184 HA2 GLY 34 1HA GLY 34 4.234 -6.071 7.876 185 HA3 GLY 34 2HA GLY 34 2.622 -6.709 8.128 186 H LYS 35 H LYS 35 3.029 -6.525 4.791 187 HA LYS 35 HA LYS 35 4.199 -9.215 4.679 188 HB3 LYS 35 2HB LYS 35 2.165 -8.660 2.641 189 HG3 LYS 35 2HG LYS 35 3.402 -10.878 3.519 190 HD3 LYS 35 2HD LYS 35 1.688 -10.233 5.712 191 HE3 LYS 35 2HE LYS 35 0.851 -12.913 4.597 192 HZ1 LYS 35 1HZ LYS 35 -1.181 -12.107 5.915 193 HZ2 LYS 35 2HZ LYS 35 0.136 -12.508 6.786 194 H THR 36 H THR 36 2.956 -6.888 2.201 195 HA THR 36 HA THR 36 5.713 -6.755 1.167 196 HB THR 36 HB THR 36 3.076 -6.733 -0.393 197 HG1 THR 36 HG1 THR 36 3.937 -8.746 0.842 198 HG21 THR 36 1HG2 THR 36 4.770 -7.444 -2.242 199 HG22 THR 36 2HG2 THR 36 4.768 -5.724 -1.780 200 HG23 THR 36 3HG2 THR 36 6.030 -6.812 -1.155 201 H CYS 37 H CYS 37 5.879 -4.766 -0.432 202 HA CYS 37 HA CYS 37 4.415 -2.524 0.706 203 HB3 CYS 37 2HB CYS 37 6.439 -2.606 2.019 204 H ASP 38 H ASP 38 3.281 -2.593 -1.366 205 HA ASP 38 HA ASP 38 4.311 -0.934 -3.258 206 HB3 ASP 38 2HB ASP 38 4.435 -3.840 -4.184 207 HD2 ASP 38 HD ASP 38 6.385 -1.002 -5.509 208 H CYS 39 H CYS 39 1.878 -1.040 -2.053 209 HA CYS 39 HA CYS 39 -0.139 -0.633 -3.269 210 HB3 CYS 39 2HB CYS 39 -0.400 -3.388 -4.255 211 HA PRO 40 HA PRO 40 -0.830 -4.072 -0.037 212 HB3 PRO 40 2HB PRO 40 1.113 -5.092 0.660 213 HG3 PRO 40 2HG PRO 40 3.049 -4.022 0.010 214 HD3 PRO 40 2HD PRO 40 2.287 -2.886 -1.838 215 H ARG 41 H ARG 41 -2.610 -2.602 0.058 216 HA ARG 41 HA ARG 41 -3.198 -1.808 2.514 217 HB3 ARG 41 2HB ARG 41 -1.728 0.441 1.062 218 HG3 ARG 41 2HG ARG 41 -4.008 0.581 2.913 219 HD3 ARG 41 2HD ARG 41 -1.561 2.243 3.652 220 HE ARG 41 HE ARG 41 -3.540 3.287 4.515 221 HH11 ARG 41 2HH2 ARG 41 -3.244 -0.075 5.592 222 HH12 ARG 41 1HH2 ARG 41 -4.419 0.096 6.853 223 HH22 ARG 41 1HH ARG 41 -5.491 2.214 7.180 224 H ASN 42 H ASN 42 -4.292 -2.713 -0.054 225 HA ASN 42 HA ASN 42 -6.068 -0.495 -0.684 226 HB3 ASN 42 2HB ASN 42 -5.038 -1.261 -2.709 227 HD21 ASN 42 1HD2 ASN 42 -3.563 -2.709 -1.044 228 HD22 ASN 42 2HD2 ASN 42 -3.406 -4.357 -1.554 229 HA PRO 43 HA PRO 43 -8.324 -4.003 1.439 230 HB3 PRO 43 2HB PRO 43 -7.367 -4.150 3.528 231 HG3 PRO 43 2HG PRO 43 -5.879 -2.460 4.027 232 HD3 PRO 43 2HD PRO 43 -5.258 -1.824 1.907 233 H HIS 44 H HIS 44 -9.271 -2.232 -0.364 234 HA HIS 44 HA HIS 44 -11.499 -0.977 1.033 235 HB3 HIS 44 2HB HIS 44 -11.707 0.475 -0.772 236 HD1 HIS 44 HD1 HIS 44 -8.626 -0.838 0.702 237 HD2 HIS 44 HD2 HIS 44 -9.640 2.272 -1.925 238 HE1 HIS 44 HE1 HIS 44 -6.629 0.749 0.668 239 H LYS 45 H LYS 45 -12.683 -1.168 -1.955 240 HA LYS 45 HA LYS 45 -14.768 -2.631 -1.721 241 HB3 LYS 45 2HB LYS 45 -14.279 -3.594 -4.098 242 HG3 LYS 45 2HG LYS 45 -14.294 -1.100 -4.964 243 HD3 LYS 45 2HD LYS 45 -16.303 -2.790 -3.735 244 HE3 LYS 45 2HE LYS 45 -17.780 -0.446 -3.583 245 HZ1 LYS 45 1HZ LYS 45 -16.903 -2.469 -1.820 246 HZ2 LYS 45 2HZ LYS 45 -16.874 -1.053 -1.017 247 H GLY 46 H GLY 46 -11.635 -4.301 -2.515 248 HA2 GLY 46 1HA GLY 46 -12.227 -6.418 -0.663 249 HA3 GLY 46 2HA GLY 46 -12.442 -6.896 -2.335 250 HA PRO 47 HA PRO 47 -8.003 -6.057 -2.811 251 HB3 PRO 47 2HB PRO 47 -7.768 -4.147 -4.076 252 HG3 PRO 47 2HG PRO 47 -9.426 -2.575 -3.764 253 HD3 PRO 47 2HD PRO 47 -11.130 -3.924 -3.010 254 H ALA 48 H ALA 48 -5.732 -5.174 -1.826 255 HA ALA 48 HA ALA 48 -5.180 -4.383 0.526 256 HB1 ALA 48 1HB ALA 48 -5.625 -6.409 2.120 257 HB2 ALA 48 2HB ALA 48 -6.958 -5.283 1.765 258 HB3 ALA 48 3HB ALA 48 -6.874 -6.854 0.932 259 H THR 49 H THR 49 -3.025 -4.496 0.124 260 HA THR 49 HA THR 49 -1.928 -7.175 -0.421 261 HB THR 49 HB THR 49 -1.414 -4.469 -1.718 262 HG1 THR 49 HG1 THR 49 -2.885 -6.454 -2.360 263 HG21 THR 49 1HG2 THR 49 0.739 -5.018 -2.297 264 HG22 THR 49 2HG2 THR 49 0.685 -6.169 -0.941 265 HG23 THR 49 3HG2 THR 49 0.298 -6.717 -2.589 Start of MODEL 19 1 H2 GLU 1 1H GLU 1 11.359 -4.404 2.617 2 HA GLU 1 HA GLU 1 9.526 -3.314 1.180 3 HB3 GLU 1 2HB GLU 1 10.920 -1.727 2.118 4 HG3 GLU 1 2HG GLU 1 13.520 -1.954 1.129 5 HE2 GLU 1 HE GLU 1 12.744 -0.932 4.099 6 H CYS 2 H CYS 2 12.391 -2.662 -0.728 7 HA CYS 2 HA CYS 2 11.398 -2.708 -3.134 8 HB3 CYS 2 2HB CYS 2 13.875 -4.263 -3.158 9 H GLU 3 H GLU 3 9.632 -4.114 -3.535 10 HA GLU 3 HA GLU 3 8.542 -6.057 -3.612 11 HB3 GLU 3 2HB GLU 3 10.371 -7.397 -5.412 12 HG3 GLU 3 2HG GLU 3 7.707 -6.063 -5.442 13 HE2 GLU 3 HE GLU 3 7.566 -5.226 -8.851 14 H SER 4 H SER 4 9.535 -6.384 -1.221 15 HA SER 4 HA SER 4 9.790 -9.021 -0.819 16 HB3 SER 4 2HB SER 4 12.457 -7.751 -1.404 17 HG SER 4 HG SER 4 11.890 -9.493 0.757 18 H GLY 5 H GLY 5 8.486 -6.935 0.422 19 HA2 GLY 5 1HA GLY 5 8.645 -7.229 3.035 20 HA3 GLY 5 2HA GLY 5 10.016 -6.165 2.791 21 HA PRO 6 HA PRO 6 5.894 -3.895 2.560 22 HB3 PRO 6 2HB PRO 6 4.381 -4.852 4.008 23 HG3 PRO 6 2HG PRO 6 5.271 -6.445 5.418 24 HD3 PRO 6 2HD PRO 6 7.107 -7.093 4.195 25 H CYS 7 H CYS 7 5.408 -1.645 3.162 26 HA CYS 7 HA CYS 7 6.012 0.345 3.946 27 HB3 CYS 7 2HB CYS 7 8.579 0.107 5.078 28 H CYS 8 H CYS 8 6.210 0.107 1.401 29 HA CYS 8 HA CYS 8 8.259 1.663 0.533 30 HB3 CYS 8 2HB CYS 8 9.444 -0.683 1.160 31 H ARG 9 H ARG 9 6.798 2.572 -0.906 32 HA ARG 9 HA ARG 9 4.854 1.081 -2.199 33 HB3 ARG 9 2HB ARG 9 4.800 3.244 -3.719 34 HG3 ARG 9 2HG ARG 9 3.357 2.728 -1.641 35 HD3 ARG 9 2HD ARG 9 4.869 2.862 0.194 36 HE ARG 9 HE ARG 9 6.758 4.202 -0.025 37 HH11 ARG 9 2HH2 ARG 9 4.064 5.852 -1.628 38 HH12 ARG 9 1HH2 ARG 9 5.030 7.192 -2.147 39 HH22 ARG 9 1HH ARG 9 7.362 7.241 -1.595 40 H ASN 10 H ASN 10 8.244 1.499 -2.803 41 HA ASN 10 HA ASN 10 8.339 -0.299 -4.829 42 HB3 ASN 10 2HB ASN 10 7.131 1.431 -6.204 43 HD21 ASN 10 1HD2 ASN 10 8.016 2.963 -3.974 44 HD22 ASN 10 2HD2 ASN 10 8.620 4.483 -4.546 45 H CYS 11 H CYS 11 9.738 0.556 -2.430 46 HA CYS 11 HA CYS 11 11.896 0.420 -1.841 47 HB3 CYS 11 2HB CYS 11 13.734 0.575 -3.308 48 H LYS 12 H LYS 12 10.638 2.276 -0.690 49 HA LYS 12 HA LYS 12 12.284 4.475 -0.448 50 HB3 LYS 12 2HB LYS 12 9.843 5.550 -1.738 51 HG3 LYS 12 2HG LYS 12 12.049 6.715 -0.776 52 HD3 LYS 12 2HD LYS 12 12.875 5.505 -3.391 53 HE3 LYS 12 2HE LYS 12 13.735 8.307 -2.523 54 HZ1 LYS 12 1HZ LYS 12 14.885 8.064 -4.780 55 HZ2 LYS 12 2HZ LYS 12 15.569 7.261 -3.541 56 H PHE 13 H PHE 13 8.974 3.111 -0.303 57 HA PHE 13 HA PHE 13 7.487 3.041 1.322 58 HB3 PHE 13 2HB PHE 13 10.115 3.587 2.744 59 HD1 PHE 13 HD1 PHE 13 6.703 2.615 3.921 60 HD2 PHE 13 HD2 PHE 13 10.179 4.953 4.596 61 HE1 PHE 13 HE1 PHE 13 5.732 3.433 6.088 62 HE2 PHE 13 HE2 PHE 13 9.210 5.771 6.762 63 HZ PHE 13 HZ PHE 13 6.997 5.001 7.482 64 H LEU 14 H LEU 14 5.942 4.370 2.388 65 HA LEU 14 HA LEU 14 6.520 7.229 2.097 66 HB3 LEU 14 2HB LEU 14 3.772 6.087 2.414 67 HG LEU 14 HG LEU 14 3.147 7.856 0.828 68 HD11 LEU 14 1HD1 LEU 14 3.183 9.656 2.353 69 HD12 LEU 14 2HD1 LEU 14 3.193 8.180 3.347 70 HD13 LEU 14 3HD1 LEU 14 4.697 9.099 3.104 71 HD21 LEU 14 1HD2 LEU 14 5.191 8.065 -0.443 72 HD22 LEU 14 2HD2 LEU 14 4.767 9.642 0.264 73 HD23 LEU 14 3HD2 LEU 14 6.064 8.662 0.988 74 H LYS 15 H LYS 15 4.157 5.383 4.125 75 HA LYS 15 HA LYS 15 5.377 5.527 6.533 76 HB3 LYS 15 2HB LYS 15 5.711 7.883 6.385 77 HG3 LYS 15 2HG LYS 15 2.960 7.830 5.239 78 HD3 LYS 15 2HD LYS 15 3.888 10.063 7.108 79 HE3 LYS 15 2HE LYS 15 1.193 10.149 5.838 80 HZ1 LYS 15 1HZ LYS 15 1.836 12.004 7.117 81 HZ2 LYS 15 2HZ LYS 15 3.343 12.068 6.501 82 H GLU 16 H GLU 16 4.145 3.577 6.555 83 HA GLU 16 HA GLU 16 2.124 2.485 6.303 84 HB3 GLU 16 2HB GLU 16 1.186 2.521 8.718 85 HG3 GLU 16 2HG GLU 16 4.190 2.152 8.297 86 HE2 GLU 16 HE GLU 16 4.975 2.074 10.223 87 H GLY 17 H GLY 17 0.403 3.063 5.035 88 HA2 GLY 17 1HA GLY 17 -1.928 3.901 5.483 89 HA3 GLY 17 2HA GLY 17 -1.161 5.430 5.865 90 H THR 18 H THR 18 0.286 3.383 3.369 91 HA THR 18 HA THR 18 -0.373 5.425 1.398 92 HB THR 18 HB THR 18 1.317 3.119 0.609 93 HG1 THR 18 HG1 THR 18 2.082 4.962 2.758 94 HG21 THR 18 1HG2 THR 18 2.353 4.797 -0.544 95 HG22 THR 18 2HG2 THR 18 1.156 5.935 0.120 96 HG23 THR 18 3HG2 THR 18 2.694 5.663 0.972 97 H ILE 19 H ILE 19 -1.770 2.592 2.567 98 HA ILE 19 HA ILE 19 -3.022 0.977 1.621 99 HB ILE 19 HB ILE 19 -4.791 2.307 1.970 100 HG13 ILE 19 2HG1 ILE 19 -6.011 1.517 0.287 101 HG21 ILE 19 1HG2 ILE 19 -5.069 4.577 0.834 102 HG22 ILE 19 2HG2 ILE 19 -3.764 4.417 2.033 103 HG23 ILE 19 3HG2 ILE 19 -3.384 4.384 0.294 104 HD11 ILE 19 1HD1 ILE 19 -4.922 3.934 -1.229 105 HD12 ILE 19 2HD1 ILE 19 -6.312 2.949 -1.745 106 HD13 ILE 19 3HD1 ILE 19 -6.400 3.890 -0.238 107 H CYS 20 H CYS 20 -3.436 -0.380 -0.185 108 HA CYS 20 HA CYS 20 -1.485 -0.207 -2.187 109 HB3 CYS 20 2HB CYS 20 -3.732 -2.014 -1.510 110 H LYS 21 H LYS 21 -4.930 -0.732 -3.044 111 HA LYS 21 HA LYS 21 -4.846 1.723 -4.643 112 HB3 LYS 21 2HB LYS 21 -6.103 0.378 -6.415 113 HG3 LYS 21 2HG LYS 21 -3.194 0.285 -5.723 114 HD3 LYS 21 2HD LYS 21 -4.476 -1.546 -7.803 115 HE3 LYS 21 2HE LYS 21 -1.734 -1.987 -7.866 116 HZ1 LYS 21 1HZ LYS 21 -2.146 -1.582 -10.031 117 HZ2 LYS 21 2HZ LYS 21 -3.684 -1.227 -9.628 118 H ARG 22 H ARG 22 -6.378 3.048 -3.838 119 HA ARG 22 HA ARG 22 -8.313 2.252 -2.102 120 HB3 ARG 22 2HB ARG 22 -8.202 4.635 -4.008 121 HG3 ARG 22 2HG ARG 22 -10.501 4.602 -3.453 122 HD3 ARG 22 2HD ARG 22 -10.468 2.663 -1.915 123 HE ARG 22 HE ARG 22 -8.599 3.129 -0.430 124 HH11 ARG 22 2HH2 ARG 22 -11.466 5.108 0.220 125 HH12 ARG 22 1HH2 ARG 22 -10.959 5.539 1.820 126 HH22 ARG 22 1HH ARG 22 -8.876 4.698 2.657 127 H ALA 23 H ALA 23 -8.913 0.189 -3.459 128 HA ALA 23 HA ALA 23 -10.265 0.178 -5.796 129 HB1 ALA 23 1HB ALA 23 -9.625 -1.782 -4.356 130 HB2 ALA 23 2HB ALA 23 -11.024 -1.419 -3.318 131 HB3 ALA 23 3HB ALA 23 -11.274 -1.887 -5.017 132 H ARG 24 H ARG 24 -11.702 0.739 -2.506 133 HA ARG 24 HA ARG 24 -14.251 0.944 -3.038 134 HB3 ARG 24 2HB ARG 24 -14.031 3.196 -1.492 135 HG3 ARG 24 2HG ARG 24 -13.508 0.297 -0.695 136 HD3 ARG 24 2HD ARG 24 -14.286 1.115 1.604 137 HE ARG 24 HE ARG 24 -11.626 1.770 0.460 138 HH11 ARG 24 2HH2 ARG 24 -13.592 1.249 3.362 139 HH12 ARG 24 1HH2 ARG 24 -12.224 1.018 4.398 140 HH22 ARG 24 1HH ARG 24 -10.017 1.149 3.475 141 H GLY 25 H GLY 25 -11.730 3.125 -4.245 142 HA2 GLY 25 1HA GLY 25 -13.749 4.499 -5.879 143 HA3 GLY 25 2HA GLY 25 -12.658 5.454 -4.897 144 H ASP 26 H ASP 26 -10.303 3.742 -5.118 145 HA ASP 26 HA ASP 26 -9.760 3.169 -7.785 146 HB3 ASP 26 2HB ASP 26 -9.540 5.390 -8.435 147 HD2 ASP 26 HD ASP 26 -9.690 5.541 -4.993 148 H ASP 27 H ASP 27 -7.181 4.985 -6.300 149 HA ASP 27 HA ASP 27 -6.366 2.982 -4.481 150 HB3 ASP 27 2HB ASP 27 -5.746 2.162 -6.907 151 HD2 ASP 27 HD ASP 27 -5.109 4.123 -8.550 152 H MET 28 H MET 28 -4.702 3.862 -3.093 153 HA MET 28 HA MET 28 -4.123 6.650 -3.657 154 HB3 MET 28 2HB MET 28 -3.639 6.778 -1.221 155 HG3 MET 28 2HG MET 28 -5.861 5.730 -0.332 156 HE1 MET 28 1HE MET 28 -6.233 6.494 -3.822 157 HE2 MET 28 2HE MET 28 -7.322 7.901 -3.823 158 HE3 MET 28 3HE MET 28 -5.563 8.137 -3.965 159 H ASP 29 H ASP 29 -2.375 3.964 -1.927 160 HA ASP 29 HA ASP 29 -0.170 4.258 -3.706 161 HB3 ASP 29 2HB ASP 29 1.471 4.941 -2.066 162 HD2 ASP 29 HD ASP 29 -0.148 7.869 -0.543 163 H ASP 30 H ASP 30 1.367 3.279 -1.003 164 HA ASP 30 HA ASP 30 0.095 0.717 -0.715 165 HB3 ASP 30 2HB ASP 30 2.145 -0.541 -1.239 166 HD2 ASP 30 HD ASP 30 3.152 -0.722 -3.478 167 H TYR 31 H TYR 31 0.270 0.150 1.472 168 HA TYR 31 HA TYR 31 2.372 1.518 3.014 169 HB3 TYR 31 2HB TYR 31 -0.504 1.392 3.174 170 HD1 TYR 31 HD1 TYR 31 1.491 0.723 6.246 171 HD2 TYR 31 HD2 TYR 31 -1.683 -0.600 3.700 172 HE1 TYR 31 HE1 TYR 31 0.816 -1.014 7.977 173 HE2 TYR 31 HE2 TYR 31 -2.346 -2.333 5.438 174 HH TYR 31 HH TYR 31 -0.456 -2.709 8.420 175 H CYS 32 H CYS 32 3.587 0.322 4.511 176 HA CYS 32 HA CYS 32 3.873 -2.405 3.905 177 HB3 CYS 32 2HB CYS 32 5.718 -0.973 4.656 178 H ASN 33 H ASN 33 1.952 -3.582 4.298 179 HA ASN 33 HA ASN 33 0.783 -3.287 6.927 180 HB3 ASN 33 2HB ASN 33 -0.304 -3.698 4.360 181 HD21 ASN 33 1HD2 ASN 33 0.262 -5.499 3.248 182 HD22 ASN 33 2HD2 ASN 33 -0.244 -7.106 3.651 183 H GLY 34 H GLY 34 3.387 -4.827 5.827 184 HA2 GLY 34 1HA GLY 34 4.480 -6.528 6.984 185 HA3 GLY 34 2HA GLY 34 2.942 -7.207 7.478 186 H LYS 35 H LYS 35 3.095 -6.187 4.140 187 HA LYS 35 HA LYS 35 3.120 -8.996 3.354 188 HB3 LYS 35 2HB LYS 35 2.301 -6.516 1.811 189 HG3 LYS 35 2HG LYS 35 2.971 -8.340 0.304 190 HD3 LYS 35 2HD LYS 35 1.644 -9.983 2.388 191 HE3 LYS 35 2HE LYS 35 1.241 -10.642 -0.570 192 HZ1 LYS 35 1HZ LYS 35 1.304 -12.709 0.344 193 HZ2 LYS 35 2HZ LYS 35 1.092 -12.196 1.875 194 H THR 36 H THR 36 3.994 -6.506 1.035 195 HA THR 36 HA THR 36 6.834 -6.988 1.374 196 HB THR 36 HB THR 36 5.841 -8.910 -0.022 197 HG1 THR 36 HG1 THR 36 7.840 -8.745 -0.979 198 HG21 THR 36 1HG2 THR 36 5.275 -8.423 -2.348 199 HG22 THR 36 2HG2 THR 36 4.213 -7.422 -1.328 200 HG23 THR 36 3HG2 THR 36 5.631 -6.694 -2.121 201 H CYS 37 H CYS 37 4.666 -4.783 1.439 202 HA CYS 37 HA CYS 37 4.564 -2.654 0.923 203 HB3 CYS 37 2HB CYS 37 7.034 -2.807 1.482 204 H ASP 38 H ASP 38 3.194 -4.247 -0.786 205 HA ASP 38 HA ASP 38 3.845 -3.096 -3.384 206 HB3 ASP 38 2HB ASP 38 2.449 -5.774 -2.990 207 HD2 ASP 38 HD ASP 38 4.599 -5.713 -6.113 208 H CYS 39 H CYS 39 2.221 -1.649 -1.718 209 HA CYS 39 HA CYS 39 0.271 -0.604 -1.809 210 HB3 CYS 39 2HB CYS 39 0.151 -1.593 -4.207 211 HA PRO 40 HA PRO 40 -1.016 -4.219 0.886 212 HB3 PRO 40 2HB PRO 40 0.908 -5.202 1.685 213 HG3 PRO 40 2HG PRO 40 2.847 -4.047 1.211 214 HD3 PRO 40 2HD PRO 40 2.178 -2.869 -0.646 215 H ARG 41 H ARG 41 -2.456 -2.127 0.552 216 HA ARG 41 HA ARG 41 -3.473 -1.674 3.071 217 HB3 ARG 41 2HB ARG 41 -1.851 0.664 1.940 218 HG3 ARG 41 2HG ARG 41 -4.145 0.558 3.783 219 HD3 ARG 41 2HD ARG 41 -1.597 1.972 4.712 220 HE ARG 41 HE ARG 41 -3.683 3.190 5.332 221 HH11 ARG 41 2HH2 ARG 41 -3.068 0.102 6.957 222 HH12 ARG 41 1HH2 ARG 41 -4.074 0.475 8.316 223 HH22 ARG 41 1HH ARG 41 -5.207 2.586 8.394 224 H ASN 42 H ASN 42 -4.912 -2.501 1.082 225 HA ASN 42 HA ASN 42 -6.245 -0.119 0.083 226 HB3 ASN 42 2HB ASN 42 -5.198 -0.860 -1.913 227 HD21 ASN 42 1HD2 ASN 42 -4.411 -2.632 0.349 228 HD22 ASN 42 2HD2 ASN 42 -3.977 -4.155 -0.354 229 HA PRO 43 HA PRO 43 -8.931 -3.351 2.049 230 HB3 PRO 43 2HB PRO 43 -8.350 -3.202 4.272 231 HG3 PRO 43 2HG PRO 43 -6.955 -1.439 4.786 232 HD3 PRO 43 2HD PRO 43 -5.972 -1.085 2.739 233 H HIS 44 H HIS 44 -9.555 -1.895 -0.117 234 HA HIS 44 HA HIS 44 -12.023 -0.562 0.708 235 HB3 HIS 44 2HB HIS 44 -11.751 0.913 -0.978 236 HD1 HIS 44 HD1 HIS 44 -9.433 0.315 1.238 237 HD2 HIS 44 HD2 HIS 44 -8.910 1.275 -2.812 238 HE1 HIS 44 HE1 HIS 44 -7.088 1.304 1.034 239 H LYS 45 H LYS 45 -12.649 -0.914 -2.387 240 HA LYS 45 HA LYS 45 -14.655 -2.506 -2.461 241 HB3 LYS 45 2HB LYS 45 -13.985 -3.305 -4.726 242 HG3 LYS 45 2HG LYS 45 -13.243 -0.829 -5.471 243 HD3 LYS 45 2HD LYS 45 -15.799 -0.229 -4.661 244 HE3 LYS 45 2HE LYS 45 -14.803 -1.987 -6.938 245 HZ1 LYS 45 1HZ LYS 45 -17.341 -0.881 -7.431 246 HZ2 LYS 45 2HZ LYS 45 -16.925 -2.456 -7.443 247 H GLY 46 H GLY 46 -11.581 -4.225 -3.291 248 HA2 GLY 46 1HA GLY 46 -12.136 -6.249 -1.269 249 HA3 GLY 46 2HA GLY 46 -12.276 -6.762 -2.939 250 HA PRO 47 HA PRO 47 -7.800 -5.644 -3.019 251 HB3 PRO 47 2HB PRO 47 -7.475 -3.445 -3.615 252 HG3 PRO 47 2HG PRO 47 -9.159 -2.010 -2.961 253 HD3 PRO 47 2HD PRO 47 -10.910 -3.490 -2.786 254 H ALA 48 H ALA 48 -5.709 -4.696 -1.411 255 HA ALA 48 HA ALA 48 -5.326 -4.815 1.008 256 HB1 ALA 48 1HB ALA 48 -6.795 -7.450 0.598 257 HB2 ALA 48 2HB ALA 48 -5.926 -6.999 2.085 258 HB3 ALA 48 3HB ALA 48 -7.342 -6.057 1.560 259 H THR 49 H THR 49 -3.151 -5.033 1.104 260 HA THR 49 HA THR 49 -1.963 -7.412 -0.125 261 HB THR 49 HB THR 49 -1.517 -4.503 -0.841 262 HG1 THR 49 HG1 THR 49 -1.425 -7.145 -2.123 263 HG21 THR 49 1HG2 THR 49 0.563 -6.151 -1.961 264 HG22 THR 49 2HG2 THR 49 0.754 -4.714 -0.926 265 HG23 THR 49 3HG2 THR 49 0.638 -6.331 -0.192 Start of MODEL 20 1 H2 GLU 1 1H GLU 1 6.454 -3.188 -4.111 2 HA GLU 1 HA GLU 1 7.716 -4.157 -1.750 3 HB3 GLU 1 2HB GLU 1 6.681 -5.363 -4.312 4 HG3 GLU 1 2HG GLU 1 7.719 -7.411 -2.550 5 HE2 GLU 1 HE GLU 1 8.593 -8.892 -3.714 6 H CYS 2 H CYS 2 9.726 -2.948 -1.729 7 HA CYS 2 HA CYS 2 11.467 -2.805 -3.863 8 HB3 CYS 2 2HB CYS 2 12.636 -3.000 -1.143 9 H GLU 3 H GLU 3 11.969 -4.851 -0.893 10 HA GLU 3 HA GLU 3 11.973 -7.288 -1.836 11 HB3 GLU 3 2HB GLU 3 13.379 -6.890 -3.725 12 HG3 GLU 3 2HG GLU 3 15.279 -5.523 -1.763 13 HE2 GLU 3 HE GLU 3 16.102 -6.623 -5.504 14 H SER 4 H SER 4 11.610 -6.269 0.610 15 HA SER 4 HA SER 4 13.272 -7.787 2.197 16 HB3 SER 4 2HB SER 4 14.011 -4.855 2.008 17 HG SER 4 HG SER 4 14.680 -4.801 4.062 18 H GLY 5 H GLY 5 10.615 -7.808 2.102 19 HA2 GLY 5 1HA GLY 5 8.871 -7.805 3.556 20 HA3 GLY 5 2HA GLY 5 9.811 -6.863 4.697 21 HA PRO 6 HA PRO 6 6.731 -4.151 2.595 22 HB3 PRO 6 2HB PRO 6 4.708 -4.966 3.335 23 HG3 PRO 6 2HG PRO 6 4.863 -6.578 4.977 24 HD3 PRO 6 2HD PRO 6 6.977 -7.380 4.565 25 H CYS 7 H CYS 7 5.904 -1.885 3.311 26 HA CYS 7 HA CYS 7 6.303 0.021 4.394 27 HB3 CYS 7 2HB CYS 7 8.591 -0.267 5.971 28 H CYS 8 H CYS 8 7.213 -0.654 1.824 29 HA CYS 8 HA CYS 8 9.589 0.999 1.696 30 HB3 CYS 8 2HB CYS 8 10.795 -0.938 1.603 31 H ARG 9 H ARG 9 6.662 1.281 1.177 32 HA ARG 9 HA ARG 9 5.345 1.126 -0.810 33 HB3 ARG 9 2HB ARG 9 6.693 3.756 -0.122 34 HG3 ARG 9 2HG ARG 9 4.476 4.529 -1.557 35 HD3 ARG 9 2HD ARG 9 6.070 5.230 -3.331 36 HE ARG 9 HE ARG 9 7.349 5.490 -0.628 37 HH11 ARG 9 2HH2 ARG 9 5.762 6.944 -3.444 38 HH12 ARG 9 1HH2 ARG 9 5.966 8.567 -2.876 39 HH22 ARG 9 1HH ARG 9 7.059 8.949 -0.777 40 H ASN 10 H ASN 10 5.610 0.330 -2.872 41 HA ASN 10 HA ASN 10 6.820 -0.325 -4.630 42 HB3 ASN 10 2HB ASN 10 5.406 1.360 -5.609 43 HD21 ASN 10 1HD2 ASN 10 8.401 3.166 -4.972 44 HD22 ASN 10 2HD2 ASN 10 7.666 4.601 -4.339 45 H CYS 11 H CYS 11 8.836 -0.687 -3.119 46 HA CYS 11 HA CYS 11 10.964 -0.418 -2.604 47 HB3 CYS 11 2HB CYS 11 11.486 0.705 -5.334 48 H LYS 12 H LYS 12 10.034 1.459 -1.191 49 HA LYS 12 HA LYS 12 11.669 3.424 -0.765 50 HB3 LYS 12 2HB LYS 12 10.210 4.116 -3.288 51 HG3 LYS 12 2HG LYS 12 10.425 5.858 -0.941 52 HD3 LYS 12 2HD LYS 12 11.449 7.171 -3.452 53 HE3 LYS 12 2HE LYS 12 11.019 7.852 -0.663 54 HZ1 LYS 12 1HZ LYS 12 13.618 8.868 -1.360 55 HZ2 LYS 12 2HZ LYS 12 13.096 8.288 0.071 56 H PHE 13 H PHE 13 10.437 2.603 1.130 57 HA PHE 13 HA PHE 13 7.885 2.754 1.721 58 HB3 PHE 13 2HB PHE 13 10.265 3.938 3.267 59 HD1 PHE 13 HD1 PHE 13 6.764 2.751 3.545 60 HD2 PHE 13 HD2 PHE 13 10.068 4.518 5.538 61 HE1 PHE 13 HE1 PHE 13 5.298 3.269 5.515 62 HE2 PHE 13 HE2 PHE 13 8.602 5.037 7.508 63 HZ PHE 13 HZ PHE 13 6.235 4.405 7.474 64 H LEU 14 H LEU 14 6.223 4.221 2.065 65 HA LEU 14 HA LEU 14 6.893 6.996 1.413 66 HB3 LEU 14 2HB LEU 14 4.358 5.385 1.167 67 HG LEU 14 HG LEU 14 3.519 7.448 -0.092 68 HD11 LEU 14 1HD1 LEU 14 3.195 8.470 2.509 69 HD12 LEU 14 2HD1 LEU 14 2.104 7.385 1.615 70 HD13 LEU 14 3HD1 LEU 14 3.352 6.705 2.688 71 HD21 LEU 14 1HD2 LEU 14 5.905 8.576 1.285 72 HD22 LEU 14 2HD2 LEU 14 5.161 9.005 -0.274 73 HD23 LEU 14 3HD2 LEU 14 4.429 9.571 1.246 74 H LYS 15 H LYS 15 4.680 5.067 3.560 75 HA LYS 15 HA LYS 15 5.357 5.857 5.955 76 HB3 LYS 15 2HB LYS 15 4.363 8.255 4.526 77 HG3 LYS 15 2HG LYS 15 3.222 7.290 7.121 78 HD3 LYS 15 2HD LYS 15 4.774 9.771 6.927 79 HE3 LYS 15 2HE LYS 15 2.282 10.449 8.309 80 HZ1 LYS 15 1HZ LYS 15 2.684 12.277 6.404 81 HZ2 LYS 15 2HZ LYS 15 3.504 12.292 7.812 82 H GLU 16 H GLU 16 4.250 4.056 6.615 83 HA GLU 16 HA GLU 16 2.274 2.736 6.033 84 HB3 GLU 16 2HB GLU 16 1.262 2.835 8.393 85 HG3 GLU 16 2HG GLU 16 4.282 2.644 7.997 86 HE2 GLU 16 HE GLU 16 4.226 3.811 10.076 87 H GLY 17 H GLY 17 0.308 2.887 5.039 88 HA2 GLY 17 1HA GLY 17 -1.957 3.748 5.248 89 HA3 GLY 17 2HA GLY 17 -1.276 5.337 5.535 90 H THR 18 H THR 18 0.575 3.511 3.253 91 HA THR 18 HA THR 18 -0.144 5.304 1.149 92 HB THR 18 HB THR 18 1.431 2.914 0.431 93 HG1 THR 18 HG1 THR 18 3.112 3.698 2.080 94 HG21 THR 18 1HG2 THR 18 2.963 5.358 0.859 95 HG22 THR 18 2HG2 THR 18 2.603 4.532 -0.676 96 HG23 THR 18 3HG2 THR 18 1.468 5.740 -0.028 97 H ILE 19 H ILE 19 -1.587 2.477 2.390 98 HA ILE 19 HA ILE 19 -2.861 0.874 1.440 99 HB ILE 19 HB ILE 19 -4.597 2.214 1.940 100 HG13 ILE 19 2HG1 ILE 19 -5.980 1.525 0.346 101 HG21 ILE 19 1HG2 ILE 19 -3.739 4.346 1.996 102 HG22 ILE 19 2HG2 ILE 19 -3.185 4.290 0.304 103 HG23 ILE 19 3HG2 ILE 19 -4.917 4.484 0.669 104 HD11 ILE 19 1HD1 ILE 19 -6.290 3.827 -0.349 105 HD12 ILE 19 2HD1 ILE 19 -4.762 3.811 -1.263 106 HD13 ILE 19 3HD1 ILE 19 -6.145 2.842 -1.825 107 H CYS 20 H CYS 20 -3.317 -0.439 -0.375 108 HA CYS 20 HA CYS 20 -1.478 -0.194 -2.459 109 HB3 CYS 20 2HB CYS 20 -3.796 -1.974 -1.854 110 H LYS 21 H LYS 21 -4.953 -0.661 -3.210 111 HA LYS 21 HA LYS 21 -4.923 1.870 -4.686 112 HB3 LYS 21 2HB LYS 21 -6.084 0.723 -6.560 113 HG3 LYS 21 2HG LYS 21 -3.608 -0.891 -6.352 114 HD3 LYS 21 2HD LYS 21 -3.221 1.091 -8.247 115 HE3 LYS 21 2HE LYS 21 -4.725 -1.557 -8.487 116 HZ1 LYS 21 1HZ LYS 21 -5.197 -0.572 -10.507 117 HZ2 LYS 21 2HZ LYS 21 -3.889 0.398 -10.510 118 H ARG 22 H ARG 22 -6.445 3.129 -3.762 119 HA ARG 22 HA ARG 22 -8.333 2.211 -2.035 120 HB3 ARG 22 2HB ARG 22 -8.306 4.708 -3.796 121 HG3 ARG 22 2HG ARG 22 -10.570 4.648 -3.143 122 HD3 ARG 22 2HD ARG 22 -10.445 2.572 -1.777 123 HE ARG 22 HE ARG 22 -8.521 3.069 -0.317 124 HH11 ARG 22 2HH2 ARG 22 -11.596 4.547 0.639 125 HH12 ARG 22 1HH2 ARG 22 -11.113 4.784 2.285 126 HH22 ARG 22 1HH ARG 22 -8.926 4.090 2.978 127 H ALA 23 H ALA 23 -8.922 0.233 -3.542 128 HA ALA 23 HA ALA 23 -10.330 0.349 -5.830 129 HB1 ALA 23 1HB ALA 23 -9.651 -1.673 -4.449 130 HB2 ALA 23 2HB ALA 23 -11.106 -1.394 -3.463 131 HB3 ALA 23 3HB ALA 23 -11.264 -1.772 -5.195 132 H ARG 24 H ARG 24 -11.842 0.483 -2.521 133 HA ARG 24 HA ARG 24 -14.347 0.780 -2.998 134 HB3 ARG 24 2HB ARG 24 -14.188 2.896 -1.297 135 HG3 ARG 24 2HG ARG 24 -13.424 0.003 -0.692 136 HD3 ARG 24 2HD ARG 24 -14.157 0.559 1.653 137 HE ARG 24 HE ARG 24 -11.690 1.565 0.453 138 HH11 ARG 24 2HH2 ARG 24 -13.510 1.311 3.482 139 HH12 ARG 24 1HH2 ARG 24 -12.105 1.461 4.484 140 HH22 ARG 24 1HH ARG 24 -9.955 1.725 3.458 141 H GLY 25 H GLY 25 -11.875 3.177 -3.948 142 HA2 GLY 25 1HA GLY 25 -13.941 4.608 -5.492 143 HA3 GLY 25 2HA GLY 25 -12.815 5.488 -4.479 144 H ASP 26 H ASP 26 -10.448 3.888 -4.880 145 HA ASP 26 HA ASP 26 -9.998 3.471 -7.603 146 HB3 ASP 26 2HB ASP 26 -8.876 6.040 -6.390 147 HD2 ASP 26 HD ASP 26 -9.088 4.659 -9.631 148 H ASP 27 H ASP 27 -7.345 5.175 -6.164 149 HA ASP 27 HA ASP 27 -6.471 3.048 -4.496 150 HB3 ASP 27 2HB ASP 27 -5.918 2.453 -7.006 151 HD2 ASP 27 HD ASP 27 -4.096 4.875 -8.654 152 H MET 28 H MET 28 -4.767 3.828 -3.094 153 HA MET 28 HA MET 28 -4.296 6.669 -3.375 154 HB3 MET 28 2HB MET 28 -3.395 6.345 -0.974 155 HG3 MET 28 2HG MET 28 -5.661 5.866 0.019 156 HE1 MET 28 1HE MET 28 -6.292 7.556 0.870 157 HE2 MET 28 2HE MET 28 -5.398 9.040 0.459 158 HE3 MET 28 3HE MET 28 -7.144 8.935 0.136 159 H ASP 29 H ASP 29 -2.242 4.025 -1.974 160 HA ASP 29 HA ASP 29 -0.225 4.607 -3.934 161 HB3 ASP 29 2HB ASP 29 1.520 4.892 -2.112 162 HD2 ASP 29 HD ASP 29 -0.186 7.946 -0.863 163 H ASP 30 H ASP 30 1.232 3.368 -1.129 164 HA ASP 30 HA ASP 30 0.201 0.765 -1.123 165 HB3 ASP 30 2HB ASP 30 1.311 0.021 -2.988 166 HD2 ASP 30 HD ASP 30 4.224 0.815 -4.155 167 H TYR 31 H TYR 31 0.480 0.459 1.095 168 HA TYR 31 HA TYR 31 3.018 1.380 2.260 169 HB3 TYR 31 2HB TYR 31 0.289 1.884 2.840 170 HD1 TYR 31 HD2 TYR 31 -1.000 -0.255 3.045 171 HD2 TYR 31 HD1 TYR 31 1.989 0.871 5.892 172 HE1 TYR 31 HE2 TYR 31 -1.936 -1.938 4.705 173 HE2 TYR 31 HE1 TYR 31 1.042 -0.816 7.543 174 HH TYR 31 HH TYR 31 -1.817 -2.753 6.698 175 H CYS 32 H CYS 32 4.038 0.030 3.884 176 HA CYS 32 HA CYS 32 4.461 -2.509 3.229 177 HB3 CYS 32 2HB CYS 32 5.894 -1.861 4.849 178 H ASN 33 H ASN 33 2.879 -2.397 6.398 179 HA ASN 33 HA ASN 33 0.739 -2.962 6.917 180 HB3 ASN 33 2HB ASN 33 0.691 -3.668 4.079 181 HD21 ASN 33 1HD2 ASN 33 0.062 -5.419 3.034 182 HD22 ASN 33 2HD2 ASN 33 -0.449 -6.915 3.741 183 H GLY 34 H GLY 34 3.319 -4.968 5.543 184 HA2 GLY 34 1HA GLY 34 4.362 -6.521 7.088 185 HA3 GLY 34 2HA GLY 34 2.763 -7.048 7.574 186 H LYS 35 H LYS 35 3.201 -6.261 4.176 187 HA LYS 35 HA LYS 35 3.211 -9.141 3.595 188 HB3 LYS 35 2HB LYS 35 2.186 -7.059 1.684 189 HG3 LYS 35 2HG LYS 35 2.494 -9.525 1.076 190 HD3 LYS 35 2HD LYS 35 1.501 -10.085 3.541 191 HE3 LYS 35 2HE LYS 35 -0.766 -9.119 2.817 192 HZ1 LYS 35 1HZ LYS 35 -0.872 -11.614 1.210 193 HZ2 LYS 35 2HZ LYS 35 -2.069 -10.520 1.367 194 H THR 36 H THR 36 3.849 -6.247 1.530 195 HA THR 36 HA THR 36 6.659 -6.976 1.379 196 HB THR 36 HB THR 36 6.493 -7.125 -1.139 197 HG1 THR 36 HG1 THR 36 3.647 -7.240 -0.438 198 HG21 THR 36 1HG2 THR 36 5.459 -9.329 -1.285 199 HG22 THR 36 2HG2 THR 36 6.269 -9.243 0.297 200 HG23 THR 36 3HG2 THR 36 4.505 -9.035 0.188 201 H CYS 37 H CYS 37 3.945 -4.779 0.932 202 HA CYS 37 HA CYS 37 4.092 -2.550 1.308 203 HB3 CYS 37 2HB CYS 37 6.615 -2.995 1.899 204 H ASP 38 H ASP 38 3.391 -4.242 -1.026 205 HA ASP 38 HA ASP 38 4.029 -2.366 -3.162 206 HB3 ASP 38 2HB ASP 38 3.085 -5.268 -3.326 207 HD2 ASP 38 HD ASP 38 3.304 -6.143 -5.337 208 H CYS 39 H CYS 39 2.112 -1.296 -1.674 209 HA CYS 39 HA CYS 39 0.084 -0.422 -1.951 210 HB3 CYS 39 2HB CYS 39 0.268 -1.520 -4.360 211 HA PRO 40 HA PRO 40 -1.046 -4.285 0.506 212 HB3 PRO 40 2HB PRO 40 0.883 -5.334 1.198 213 HG3 PRO 40 2HG PRO 40 2.819 -4.142 0.809 214 HD3 PRO 40 2HD PRO 40 2.134 -2.808 -0.932 215 H ARG 41 H ARG 41 -2.544 -2.249 0.389 216 HA ARG 41 HA ARG 41 -3.485 -1.983 2.960 217 HB3 ARG 41 2HB ARG 41 -1.942 0.457 1.940 218 HG3 ARG 41 2HG ARG 41 -3.893 0.077 4.243 219 HD3 ARG 41 2HD ARG 41 -2.800 2.648 4.487 220 HE ARG 41 HE ARG 41 -1.786 0.473 6.223 221 HH11 ARG 41 2HH2 ARG 41 -4.371 2.809 5.579 222 HH12 ARG 41 1HH2 ARG 41 -5.017 2.723 7.184 223 HH22 ARG 41 1HH ARG 41 -3.983 1.276 8.790 224 H ASN 42 H ASN 42 -4.684 -2.680 0.587 225 HA ASN 42 HA ASN 42 -6.185 -0.275 -0.101 226 HB3 ASN 42 2HB ASN 42 -5.162 -0.910 -2.144 227 HD21 ASN 42 1HD2 ASN 42 -4.224 -2.720 -0.033 228 HD22 ASN 42 2HD2 ASN 42 -3.817 -4.222 -0.793 229 HA PRO 43 HA PRO 43 -8.808 -3.646 1.727 230 HB3 PRO 43 2HB PRO 43 -8.159 -3.668 3.936 231 HG3 PRO 43 2HG PRO 43 -6.742 -1.951 4.541 232 HD3 PRO 43 2HD PRO 43 -5.821 -1.444 2.496 233 H HIS 44 H HIS 44 -9.504 -2.053 -0.305 234 HA HIS 44 HA HIS 44 -11.917 -0.742 0.692 235 HB3 HIS 44 2HB HIS 44 -11.730 0.786 -0.973 236 HD1 HIS 44 HD1 HIS 44 -9.346 0.061 1.182 237 HD2 HIS 44 HD2 HIS 44 -8.951 1.354 -2.788 238 HE1 HIS 44 HE1 HIS 44 -7.033 1.124 1.004 239 H LYS 45 H LYS 45 -12.684 -0.941 -2.386 240 HA LYS 45 HA LYS 45 -14.720 -2.501 -2.436 241 HB3 LYS 45 2HB LYS 45 -13.991 -3.313 -4.772 242 HG3 LYS 45 2HG LYS 45 -13.528 -0.424 -4.877 243 HD3 LYS 45 2HD LYS 45 -15.194 -2.459 -6.085 244 HE3 LYS 45 2HE LYS 45 -16.652 0.044 -5.112 245 HZ1 LYS 45 1HZ LYS 45 -17.296 -0.492 -7.363 246 HZ2 LYS 45 2HZ LYS 45 -17.469 -2.075 -7.025 247 H GLY 46 H GLY 46 -11.623 -4.157 -3.355 248 HA2 GLY 46 1HA GLY 46 -12.180 -6.299 -1.470 249 HA3 GLY 46 2HA GLY 46 -12.333 -6.723 -3.165 250 HA PRO 47 HA PRO 47 -7.867 -5.632 -3.278 251 HB3 PRO 47 2HB PRO 47 -7.562 -3.440 -3.916 252 HG3 PRO 47 2HG PRO 47 -9.243 -2.004 -3.259 253 HD3 PRO 47 2HD PRO 47 -10.984 -3.490 -3.033 254 H ALA 48 H ALA 48 -5.753 -4.653 -1.724 255 HA ALA 48 HA ALA 48 -5.314 -4.727 0.681 256 HB1 ALA 48 1HB ALA 48 -7.308 -5.916 1.349 257 HB2 ALA 48 2HB ALA 48 -6.858 -7.328 0.363 258 HB3 ALA 48 3HB ALA 48 -5.904 -6.910 1.805 259 H THR 49 H THR 49 -3.140 -4.979 0.752 260 HA THR 49 HA THR 49 -2.006 -7.408 -0.413 261 HB THR 49 HB THR 49 -1.460 -4.528 -1.237 262 HG1 THR 49 HG1 THR 49 -1.474 -5.905 -3.309 263 HG21 THR 49 1HG2 THR 49 0.752 -5.670 -0.657 264 HG22 THR 49 2HG2 THR 49 0.318 -6.953 -1.813 265 HG23 THR 49 3HG2 THR 49 0.567 -5.285 -2.385
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