NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | in_recoord | stage | position | program | type |
6806 | 1jkz | cing | recoord | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H LYS 1 HT1 LYS 1 -10.990 -3.439 14.779 2 2H LYS 1 HT2 LYS 1 -10.833 -5.048 15.282 3 3H LYS 1 HT3 LYS 1 -12.311 -4.493 14.677 4 HA LYS 1 HA LYS 1 -10.306 -5.740 13.255 5 1HB LYS 1 HB2 LYS 1 -12.702 -4.111 12.359 6 2HB LYS 1 HB1 LYS 1 -11.798 -5.190 11.308 7 1HG LYS 1 HG2 LYS 1 -12.415 -7.089 12.727 8 2HG LYS 1 HG1 LYS 1 -13.332 -6.002 13.774 9 1HD LYS 1 HD2 LYS 1 -14.803 -5.424 11.923 10 2HD LYS 1 HD1 LYS 1 -13.859 -6.438 10.832 11 1HE LYS 1 HE2 LYS 1 -14.461 -8.413 12.156 12 2HE LYS 1 HE1 LYS 1 -15.407 -7.393 13.243 13 1HZ LYS 1 HZ1 LYS 1 -16.915 -6.870 11.484 14 2HZ LYS 1 HZ2 LYS 1 -16.739 -8.553 11.502 15 3HZ LYS 1 HZ3 LYS 1 -15.945 -7.633 10.325 16 H THR 2 HN THR 2 -9.632 -4.866 10.946 17 HA THR 2 HA THR 2 -8.663 -2.098 11.179 18 HB THR 2 HB THR 2 -6.492 -2.734 10.226 19 HG1 THR 2 HG1 THR 2 -7.008 -5.441 10.690 20 1HG2 THR 2 HG21 THR 2 -6.353 -2.652 12.556 21 2HG2 THR 2 HG22 THR 2 -5.618 -4.189 12.104 22 3HG2 THR 2 HG23 THR 2 -7.258 -4.155 12.748 23 H CYS 3 HN CYS 3 -8.532 -0.949 9.257 24 HA CYS 3 HA CYS 3 -9.691 -2.324 6.918 25 1HB CYS 3 HB2 CYS 3 -10.509 0.016 6.292 26 2HB CYS 3 HB1 CYS 3 -11.291 -0.752 7.668 27 H GLU 4 HN GLU 4 -8.683 -2.218 5.004 28 HA GLU 4 HA GLU 4 -6.158 -0.711 4.902 29 1HB GLU 4 HB2 GLU 4 -7.016 -3.142 3.313 30 2HB GLU 4 HB1 GLU 4 -5.472 -2.318 3.154 31 1HG GLU 4 HG2 GLU 4 -4.897 -2.911 5.441 32 2HG GLU 4 HG1 GLU 4 -6.461 -3.699 5.641 33 H HIS 5 HN HIS 5 -5.625 0.479 3.056 34 HA HIS 5 HA HIS 5 -7.795 0.904 1.120 35 1HB HIS 5 HB2 HIS 5 -6.219 3.089 2.501 36 2HB HIS 5 HB1 HIS 5 -7.378 3.341 1.200 37 HD1 HIS 5 HD1 HIS 5 -9.844 2.063 1.937 38 HD2 HIS 5 HD2 HIS 5 -7.365 3.642 4.869 39 HE1 HIS 5 HE1 HIS 5 -11.322 2.418 3.942 40 HE2 HIS 5 HE2 HIS 5 -9.759 3.222 5.749 41 H LEU 6 HN LEU 6 -7.202 1.301 -0.952 42 HA LEU 6 HA LEU 6 -4.404 0.837 -1.624 43 1HB LEU 6 HB2 LEU 6 -6.071 -0.531 -2.733 44 2HB LEU 6 HB1 LEU 6 -6.912 0.896 -3.314 45 HG LEU 6 HG LEU 6 -4.132 0.072 -4.167 46 1HD1 LEU 6 HD11 LEU 6 -5.801 -0.165 -6.328 47 2HD1 LEU 6 HD12 LEU 6 -6.792 -0.785 -5.007 48 3HD1 LEU 6 HD13 LEU 6 -5.215 -1.500 -5.336 49 1HD2 LEU 6 HD21 LEU 6 -5.313 1.673 -6.093 50 2HD2 LEU 6 HD22 LEU 6 -4.042 2.150 -4.967 51 3HD2 LEU 6 HD23 LEU 6 -5.734 2.454 -4.570 52 H ALA 7 HN ALA 7 -3.071 2.416 -2.218 53 HA ALA 7 HA ALA 7 -4.025 5.132 -2.335 54 1HB ALA 7 HB1 ALA 7 -1.302 5.092 -3.019 55 2HB ALA 7 HB2 ALA 7 -1.529 3.826 -1.811 56 3HB ALA 7 HB3 ALA 7 -2.024 5.481 -1.458 57 H ASP 8 HN ASP 8 -4.446 6.319 -4.053 58 HA ASP 8 HA ASP 8 -4.339 5.189 -6.682 59 1HB ASP 8 HB2 ASP 8 -5.120 7.949 -5.735 60 2HB ASP 8 HB1 ASP 8 -5.349 7.341 -7.371 61 H THR 9 HN THR 9 -2.045 6.897 -4.859 62 HA THR 9 HA THR 9 -0.730 7.910 -7.290 63 HB THR 9 HB THR 9 -0.181 8.642 -4.400 64 HG1 THR 9 HG1 THR 9 -2.195 9.435 -5.213 65 1HG2 THR 9 HG21 THR 9 1.697 8.914 -6.113 66 2HG2 THR 9 HG22 THR 9 1.255 10.307 -5.127 67 3HG2 THR 9 HG23 THR 9 0.697 10.196 -6.795 68 H TYR 10 HN TYR 10 -0.382 5.463 -7.461 69 HA TYR 10 HA TYR 10 2.065 4.639 -6.047 70 1HB TYR 10 HB2 TYR 10 0.139 3.150 -5.736 71 2HB TYR 10 HB1 TYR 10 -0.071 3.014 -7.474 72 HD1 TYR 10 HD1 TYR 10 2.917 2.647 -5.240 73 HD2 TYR 10 HD2 TYR 10 0.366 0.877 -8.149 74 HE1 TYR 10 HE1 TYR 10 4.381 0.668 -5.316 75 HE2 TYR 10 HE2 TYR 10 1.817 -1.102 -8.223 76 HH TYR 10 HH TYR 10 4.641 -1.295 -7.551 77 H ARG 11 HN ARG 11 3.088 2.772 -7.906 78 HA ARG 11 HA ARG 11 3.828 4.535 -10.107 79 1HB ARG 11 HB2 ARG 11 5.276 2.059 -9.203 80 2HB ARG 11 HB1 ARG 11 5.896 3.371 -10.192 81 1HG ARG 11 HG2 ARG 11 5.641 4.867 -8.194 82 2HG ARG 11 HG1 ARG 11 5.265 3.420 -7.253 83 1HD ARG 11 HD2 ARG 11 7.401 2.452 -7.779 84 2HD ARG 11 HD1 ARG 11 7.783 3.780 -8.877 85 HE ARG 11 HE ARG 11 7.266 4.852 -6.351 86 1HH1 ARG 11 HH11 ARG 11 9.626 2.862 -7.944 87 2HH1 ARG 11 HH12 ARG 11 10.921 3.334 -6.905 88 1HH2 ARG 11 HH21 ARG 11 8.967 5.469 -4.963 89 2HH2 ARG 11 HH22 ARG 11 10.541 4.799 -5.198 90 H GLY 12 HN GLY 12 1.427 2.769 -10.040 91 1HA GLY 12 HA2 GLY 12 0.283 1.633 -11.708 92 2HA GLY 12 HA1 GLY 12 1.768 1.600 -12.653 93 H VAL 13 HN VAL 13 3.277 -0.092 -12.300 94 HA VAL 13 HA VAL 13 2.007 -2.545 -11.355 95 HB VAL 13 HB VAL 13 4.614 -2.187 -12.846 96 1HG1 VAL 13 HG11 VAL 13 3.017 -4.634 -12.123 97 2HG1 VAL 13 HG12 VAL 13 4.701 -4.273 -11.728 98 3HG1 VAL 13 HG13 VAL 13 4.239 -4.621 -13.394 99 1HG2 VAL 13 HG21 VAL 13 1.865 -2.925 -13.846 100 2HG2 VAL 13 HG22 VAL 13 3.344 -2.976 -14.805 101 3HG2 VAL 13 HG23 VAL 13 2.744 -1.435 -14.191 102 H CYS 14 HN CYS 14 3.245 -4.144 -10.127 103 HA CYS 14 HA CYS 14 5.112 -2.932 -8.196 104 1HB CYS 14 HB2 CYS 14 3.100 -3.414 -6.998 105 2HB CYS 14 HB1 CYS 14 2.970 -5.012 -7.735 106 H PHE 15 HN PHE 15 6.919 -4.078 -7.592 107 HA PHE 15 HA PHE 15 7.454 -6.544 -9.109 108 1HB PHE 15 HB2 PHE 15 9.427 -4.389 -8.320 109 2HB PHE 15 HB1 PHE 15 9.848 -5.908 -9.106 110 HD1 PHE 15 HD1 PHE 15 7.349 -3.173 -9.679 111 HD2 PHE 15 HD2 PHE 15 10.354 -5.701 -11.317 112 HE1 PHE 15 HE1 PHE 15 7.016 -2.131 -11.880 113 HE2 PHE 15 HE2 PHE 15 10.030 -4.661 -13.523 114 HZ PHE 15 HZ PHE 15 8.359 -2.873 -13.806 115 H THR 16 HN THR 16 8.231 -4.799 -6.093 116 HA THR 16 HA THR 16 8.470 -7.400 -4.749 117 HB THR 16 HB THR 16 10.415 -6.631 -3.469 118 HG1 THR 16 HG1 THR 16 10.605 -4.413 -5.200 119 1HG2 THR 16 HG21 THR 16 11.804 -6.042 -5.805 120 2HG2 THR 16 HG22 THR 16 10.494 -7.115 -6.300 121 3HG2 THR 16 HG23 THR 16 11.618 -7.617 -5.038 122 H ASN 17 HN ASN 17 7.979 -7.399 -2.513 123 HA ASN 17 HA ASN 17 5.805 -5.939 -1.697 124 1HB ASN 17 HB2 ASN 17 7.929 -7.193 0.058 125 2HB ASN 17 HB1 ASN 17 6.319 -6.721 0.588 126 1HD2 ASN 17 HD21 ASN 17 8.075 -9.299 -0.161 127 2HD2 ASN 17 HD22 ASN 17 6.852 -10.343 -0.789 128 H ALA 18 HN ALA 18 9.151 -4.947 -1.545 129 HA ALA 18 HA ALA 18 8.886 -2.952 0.448 130 1HB ALA 18 HB1 ALA 18 11.009 -4.065 -0.599 131 2HB ALA 18 HB2 ALA 18 11.073 -2.412 0.013 132 3HB ALA 18 HB3 ALA 18 10.919 -2.706 -1.720 133 H SER 19 HN SER 19 8.135 -2.954 -2.977 134 HA SER 19 HA SER 19 8.285 -0.208 -3.497 135 1HB SER 19 HB2 SER 19 7.953 -1.992 -5.225 136 2HB SER 19 HB1 SER 19 6.270 -2.114 -4.710 137 HG SER 19 HG SER 19 7.480 -0.236 -6.289 138 H CYS 20 HN CYS 20 5.538 -2.100 -2.206 139 HA CYS 20 HA CYS 20 3.805 0.178 -2.049 140 1HB CYS 20 HB2 CYS 20 3.628 -2.562 -0.801 141 2HB CYS 20 HB1 CYS 20 2.377 -1.337 -0.645 142 H ASP 21 HN ASP 21 5.800 -1.598 0.282 143 HA ASP 21 HA ASP 21 5.025 -0.396 2.647 144 1HB ASP 21 HB2 ASP 21 6.623 -2.293 2.443 145 2HB ASP 21 HB1 ASP 21 7.851 -1.172 1.875 146 H ASP 22 HN ASP 22 7.890 0.589 0.745 147 HA ASP 22 HA ASP 22 8.451 3.014 2.001 148 1HB ASP 22 HB2 ASP 22 9.900 1.929 0.297 149 2HB ASP 22 HB1 ASP 22 8.731 2.344 -0.950 150 H HIS 23 HN HIS 23 6.556 2.418 -0.885 151 HA HIS 23 HA HIS 23 5.558 4.905 -1.493 152 1HB HIS 23 HB2 HIS 23 5.228 3.072 -2.958 153 2HB HIS 23 HB1 HIS 23 4.440 2.118 -1.732 154 HD1 HIS 23 HD1 HIS 23 3.446 5.616 -2.784 155 HD2 HIS 23 HD2 HIS 23 2.114 1.726 -3.034 156 HE1 HIS 23 HE1 HIS 23 1.082 5.758 -3.642 157 HE2 HIS 23 HE2 HIS 23 0.241 3.396 -3.610 158 H CYS 24 HN CYS 24 3.826 2.473 0.472 159 HA CYS 24 HA CYS 24 1.760 4.132 1.332 160 1HB CYS 24 HB2 CYS 24 3.074 1.744 2.587 161 2HB CYS 24 HB1 CYS 24 1.809 2.619 3.440 162 H LYS 25 HN LYS 25 4.740 3.381 3.174 163 HA LYS 25 HA LYS 25 4.391 5.080 5.309 164 1HB LYS 25 HB2 LYS 25 6.934 4.311 3.877 165 2HB LYS 25 HB1 LYS 25 6.916 5.183 5.404 166 1HG LYS 25 HG2 LYS 25 5.905 3.345 6.533 167 2HG LYS 25 HG1 LYS 25 5.612 2.498 5.012 168 1HD LYS 25 HD2 LYS 25 8.001 2.231 4.665 169 2HD LYS 25 HD1 LYS 25 8.341 3.167 6.123 170 1HE LYS 25 HE2 LYS 25 7.407 1.485 7.519 171 2HE LYS 25 HE1 LYS 25 6.736 0.618 6.137 172 1HZ LYS 25 HZ1 LYS 25 9.654 1.019 6.511 173 2HZ LYS 25 HZ2 LYS 25 8.876 -0.046 5.428 174 3HZ LYS 25 HZ3 LYS 25 8.831 -0.336 7.106 175 H ASN 26 HN ASN 26 5.795 5.903 2.158 176 HA ASN 26 HA ASN 26 6.275 8.639 2.906 177 1HB ASN 26 HB2 ASN 26 6.509 7.126 0.315 178 2HB ASN 26 HB1 ASN 26 6.847 8.836 0.428 179 1HD2 ASN 26 HD21 ASN 26 8.267 6.090 0.209 180 2HD2 ASN 26 HD22 ASN 26 9.694 6.384 1.128 181 H LYS 27 HN LYS 27 3.807 6.971 0.959 182 HA LYS 27 HA LYS 27 2.553 9.452 0.176 183 1HB LYS 27 HB2 LYS 27 1.655 6.579 -0.072 184 2HB LYS 27 HB1 LYS 27 0.743 7.945 -0.705 185 1HG LYS 27 HG2 LYS 27 3.529 7.149 -1.510 186 2HG LYS 27 HG1 LYS 27 2.054 6.870 -2.445 187 1HD LYS 27 HD2 LYS 27 1.704 9.311 -2.567 188 2HD LYS 27 HD1 LYS 27 3.202 9.559 -1.667 189 1HE LYS 27 HE2 LYS 27 4.428 8.390 -3.480 190 2HE LYS 27 HE1 LYS 27 2.918 8.291 -4.390 191 1HZ LYS 27 HZ1 LYS 27 4.663 10.569 -3.947 192 2HZ LYS 27 HZ2 LYS 27 3.010 10.905 -3.824 193 3HZ LYS 27 HZ3 LYS 27 3.631 10.237 -5.250 194 H ALA 28 HN ALA 28 1.535 6.768 2.288 195 HA ALA 28 HA ALA 28 -0.085 8.696 3.802 196 1HB ALA 28 HB1 ALA 28 -1.278 6.918 2.218 197 2HB ALA 28 HB2 ALA 28 -1.957 7.396 3.773 198 3HB ALA 28 HB3 ALA 28 -1.047 5.891 3.634 199 H HIS 29 HN HIS 29 1.625 8.863 5.189 200 HA HIS 29 HA HIS 29 3.284 7.220 6.431 201 1HB HIS 29 HB2 HIS 29 3.194 9.645 6.785 202 2HB HIS 29 HB1 HIS 29 1.760 9.450 7.790 203 HD1 HIS 29 HD1 HIS 29 5.277 7.969 7.818 204 HD2 HIS 29 HD2 HIS 29 2.441 9.587 10.387 205 HE1 HIS 29 HE1 HIS 29 6.344 7.944 10.100 206 HE2 HIS 29 HE2 HIS 29 4.656 9.051 11.612 207 H LEU 30 HN LEU 30 2.003 5.243 6.413 208 HA LEU 30 HA LEU 30 0.618 4.807 8.979 209 1HB LEU 30 HB2 LEU 30 0.109 3.700 6.258 210 2HB LEU 30 HB1 LEU 30 -0.238 2.680 7.644 211 HG LEU 30 HG LEU 30 -2.244 3.827 6.882 212 1HD1 LEU 30 HD11 LEU 30 -2.891 3.807 8.994 213 2HD1 LEU 30 HD12 LEU 30 -2.111 5.366 9.263 214 3HD1 LEU 30 HD13 LEU 30 -1.208 3.872 9.515 215 1HD2 LEU 30 HD21 LEU 30 -1.418 5.797 5.864 216 2HD2 LEU 30 HD22 LEU 30 -0.638 6.326 7.354 217 3HD2 LEU 30 HD23 LEU 30 -2.396 6.314 7.236 218 H ILE 31 HN ILE 31 0.674 2.107 9.239 219 HA ILE 31 HA ILE 31 3.359 1.679 10.027 220 HB ILE 31 HB ILE 31 2.605 -0.524 10.812 221 1HG1 ILE 31 HG12 ILE 31 -0.110 0.362 9.814 222 2HG1 ILE 31 HG11 ILE 31 0.883 -0.906 9.093 223 1HG2 ILE 31 HG21 ILE 31 2.472 1.054 12.459 224 2HG2 ILE 31 HG22 ILE 31 0.797 0.511 12.381 225 3HG2 ILE 31 HG23 ILE 31 1.273 2.016 11.595 226 1HD1 ILE 31 HD11 ILE 31 -0.123 -0.972 11.922 227 2HD1 ILE 31 HD12 ILE 31 0.649 -2.279 11.024 228 3HD1 ILE 31 HD13 ILE 31 -0.954 -1.717 10.558 229 H SER 32 HN SER 32 1.375 -0.043 7.575 230 HA SER 32 HA SER 32 3.779 -0.585 6.057 231 1HB SER 32 HB2 SER 32 2.252 -2.849 7.360 232 2HB SER 32 HB1 SER 32 3.407 -3.072 6.046 233 HG SER 32 HG SER 32 3.926 -2.057 8.647 234 H GLY 33 HN GLY 33 3.345 -1.857 4.057 235 1HA GLY 33 HA2 GLY 33 0.595 -2.022 3.136 236 2HA GLY 33 HA1 GLY 33 1.555 -0.773 2.349 237 H THR 34 HN THR 34 0.371 -3.592 1.617 238 HA THR 34 HA THR 34 2.843 -4.573 0.331 239 HB THR 34 HB THR 34 2.098 -6.181 1.972 240 HG1 THR 34 HG1 THR 34 1.268 -7.749 0.019 241 1HG2 THR 34 HG21 THR 34 -0.333 -7.084 0.705 242 2HG2 THR 34 HG22 THR 34 -0.490 -5.439 1.319 243 3HG2 THR 34 HG23 THR 34 0.001 -6.743 2.401 244 H CYS 35 HN CYS 35 2.292 -6.055 -1.608 245 HA CYS 35 HA CYS 35 0.667 -4.450 -3.426 246 1HB CYS 35 HB2 CYS 35 2.637 -6.684 -3.944 247 2HB CYS 35 HB1 CYS 35 1.733 -5.854 -5.210 248 H HIS 36 HN HIS 36 -1.238 -5.005 -4.187 249 HA HIS 36 HA HIS 36 -2.136 -7.819 -4.021 250 1HB HIS 36 HB2 HIS 36 -3.751 -5.335 -3.406 251 2HB HIS 36 HB1 HIS 36 -4.425 -6.951 -3.541 252 HD1 HIS 36 HD1 HIS 36 -3.184 -8.706 -1.737 253 HD2 HIS 36 HD2 HIS 36 -3.204 -4.655 -0.892 254 HE1 HIS 36 HE1 HIS 36 -2.843 -8.534 0.743 255 HE2 HIS 36 HE2 HIS 36 -3.088 -6.082 1.263 256 H ASN 37 HN ASN 37 -2.630 -8.559 -6.034 257 HA ASN 37 HA ASN 37 -3.113 -8.571 -8.285 258 1HB ASN 37 HB2 ASN 37 -4.980 -6.353 -7.396 259 2HB ASN 37 HB1 ASN 37 -5.056 -7.150 -8.962 260 1HD2 ASN 37 HD21 ASN 37 -4.219 -9.605 -6.998 261 2HD2 ASN 37 HD22 ASN 37 -5.782 -10.152 -6.531 262 H TRP 38 HN TRP 38 -0.837 -7.042 -7.545 263 HA TRP 38 HA TRP 38 0.726 -5.734 -8.552 264 1HB TRP 38 HB2 TRP 38 -1.369 -5.127 -10.647 265 2HB TRP 38 HB1 TRP 38 0.348 -4.791 -10.770 266 HD1 TRP 38 HD1 TRP 38 -2.160 -7.563 -11.043 267 HE1 TRP 38 HE1 TRP 38 -1.044 -9.649 -12.075 268 HE3 TRP 38 HE3 TRP 38 2.679 -5.988 -10.935 269 HZ2 TRP 38 HZ2 TRP 38 1.566 -10.498 -12.740 270 HZ3 TRP 38 HZ3 TRP 38 4.436 -7.489 -11.777 271 HH2 TRP 38 HH2 TRP 38 3.890 -9.700 -12.661 272 H LYS 39 HN LYS 39 -1.885 -4.720 -6.958 273 HA LYS 39 HA LYS 39 -1.317 -1.846 -7.286 274 1HB LYS 39 HB2 LYS 39 -3.741 -3.204 -6.073 275 2HB LYS 39 HB1 LYS 39 -3.530 -1.469 -6.284 276 1HG LYS 39 HG2 LYS 39 -3.559 -1.706 -8.681 277 2HG LYS 39 HG1 LYS 39 -3.604 -3.465 -8.541 278 1HD LYS 39 HD2 LYS 39 -5.787 -3.314 -7.427 279 2HD LYS 39 HD1 LYS 39 -5.741 -1.557 -7.583 280 1HE LYS 39 HE2 LYS 39 -5.686 -1.772 -10.019 281 2HE LYS 39 HE1 LYS 39 -5.721 -3.529 -9.866 282 1HZ LYS 39 HZ1 LYS 39 -7.897 -3.303 -8.740 283 2HZ LYS 39 HZ2 LYS 39 -7.924 -2.734 -10.333 284 3HZ LYS 39 HZ3 LYS 39 -7.869 -1.638 -9.045 285 H CYS 40 HN CYS 40 -1.549 -0.563 -5.156 286 HA CYS 40 HA CYS 40 -0.269 -2.099 -3.004 287 1HB CYS 40 HB2 CYS 40 0.070 0.769 -3.849 288 2HB CYS 40 HB1 CYS 40 0.517 0.216 -2.241 289 H PHE 41 HN PHE 41 -1.169 -2.259 -1.117 290 HA PHE 41 HA PHE 41 -3.383 -0.440 -0.414 291 1HB PHE 41 HB2 PHE 41 -3.096 -3.372 0.301 292 2HB PHE 41 HB1 PHE 41 -4.353 -2.303 0.911 293 HD1 PHE 41 HD1 PHE 41 -6.351 -3.013 0.075 294 HD2 PHE 41 HD2 PHE 41 -3.004 -2.816 -2.545 295 HE1 PHE 41 HE1 PHE 41 -7.796 -3.625 -1.815 296 HE2 PHE 41 HE2 PHE 41 -4.443 -3.423 -4.438 297 HZ PHE 41 HZ PHE 41 -6.845 -3.818 -4.083 298 H CYS 42 HN CYS 42 -3.288 0.447 1.625 299 HA CYS 42 HA CYS 42 -0.839 -0.162 3.129 300 1HB CYS 42 HB2 CYS 42 -2.615 2.291 3.225 301 2HB CYS 42 HB1 CYS 42 -1.099 2.075 4.085 302 H THR 43 HN THR 43 -1.045 0.030 5.540 303 HA THR 43 HA THR 43 -3.566 -1.240 6.397 304 HB THR 43 HB THR 43 -0.844 -1.254 7.723 305 HG1 THR 43 HG1 THR 43 -0.675 -2.543 5.975 306 1HG2 THR 43 HG21 THR 43 -1.769 -3.184 8.988 307 2HG2 THR 43 HG22 THR 43 -3.366 -2.741 8.389 308 3HG2 THR 43 HG23 THR 43 -2.467 -1.621 9.412 309 H GLN 44 HN GLN 44 -4.944 -0.044 7.530 310 HA GLN 44 HA GLN 44 -3.870 1.993 9.351 311 1HB GLN 44 HB2 GLN 44 -4.611 3.093 7.270 312 2HB GLN 44 HB1 GLN 44 -6.214 2.402 7.485 313 1HG GLN 44 HG2 GLN 44 -6.499 3.670 9.545 314 2HG GLN 44 HG1 GLN 44 -4.878 4.338 9.371 315 1HE2 GLN 44 HE21 GLN 44 -8.004 5.079 9.025 316 2HE2 GLN 44 HE22 GLN 44 -7.904 6.256 7.766 317 H ASN 45 HN ASN 45 -4.689 1.921 11.327 318 HA ASN 45 HA ASN 45 -6.628 -0.062 12.044 319 1HB ASN 45 HB2 ASN 45 -5.405 2.136 13.731 320 2HB ASN 45 HB1 ASN 45 -6.203 0.682 14.322 321 1HD2 ASN 45 HD21 ASN 45 -4.791 -0.729 15.083 322 2HD2 ASN 45 HD22 ASN 45 -3.225 -1.045 14.428 323 H CYS 46 HN CYS 46 -8.781 0.180 12.459 324 HA CYS 46 HA CYS 46 -9.920 2.805 12.956 325 1HB CYS 46 HB2 CYS 46 -11.568 2.636 11.128 326 2HB CYS 46 HB1 CYS 46 -9.923 2.733 10.507 Start of MODEL 2 1 1H LYS 1 HT1 LYS 1 -9.241 -4.633 15.284 2 2H LYS 1 HT2 LYS 1 -10.650 -5.532 15.029 3 3H LYS 1 HT3 LYS 1 -10.662 -3.856 14.789 4 HA LYS 1 HA LYS 1 -9.070 -5.795 13.200 5 1HB LYS 1 HB2 LYS 1 -11.659 -4.335 12.598 6 2HB LYS 1 HB1 LYS 1 -10.704 -5.163 11.379 7 1HG LYS 1 HG2 LYS 1 -11.024 -7.282 12.609 8 2HG LYS 1 HG1 LYS 1 -12.058 -6.426 13.758 9 1HD LYS 1 HD2 LYS 1 -13.625 -5.871 12.004 10 2HD LYS 1 HD1 LYS 1 -12.559 -6.563 10.783 11 1HE LYS 1 HE2 LYS 1 -14.362 -8.096 11.264 12 2HE LYS 1 HE1 LYS 1 -12.835 -8.777 11.823 13 1HZ LYS 1 HZ1 LYS 1 -15.030 -8.720 13.311 14 2HZ LYS 1 HZ2 LYS 1 -14.361 -7.240 13.778 15 3HZ LYS 1 HZ3 LYS 1 -13.475 -8.666 13.979 16 H THR 2 HN THR 2 -8.764 -4.551 10.918 17 HA THR 2 HA THR 2 -7.808 -1.825 11.505 18 HB THR 2 HB THR 2 -5.860 -2.267 10.012 19 HG1 THR 2 HG1 THR 2 -5.841 -4.943 10.223 20 1HG2 THR 2 HG21 THR 2 -5.413 -2.392 12.349 21 2HG2 THR 2 HG22 THR 2 -4.580 -3.726 11.552 22 3HG2 THR 2 HG23 THR 2 -6.074 -4.025 12.439 23 H CYS 3 HN CYS 3 -7.429 -0.525 9.502 24 HA CYS 3 HA CYS 3 -9.456 -1.222 7.470 25 1HB CYS 3 HB2 CYS 3 -8.524 1.487 8.432 26 2HB CYS 3 HB1 CYS 3 -9.590 1.249 7.052 27 H GLU 4 HN GLU 4 -8.822 -1.527 5.451 28 HA GLU 4 HA GLU 4 -6.114 -0.661 4.679 29 1HB GLU 4 HB2 GLU 4 -7.721 -3.008 3.656 30 2HB GLU 4 HB1 GLU 4 -6.153 -2.517 3.032 31 1HG GLU 4 HG2 GLU 4 -5.184 -2.925 5.271 32 2HG GLU 4 HG1 GLU 4 -6.752 -3.515 5.806 33 H HIS 5 HN HIS 5 -5.816 0.521 2.886 34 HA HIS 5 HA HIS 5 -8.048 0.884 1.023 35 1HB HIS 5 HB2 HIS 5 -6.597 3.167 2.386 36 2HB HIS 5 HB1 HIS 5 -7.711 3.352 1.037 37 HD1 HIS 5 HD1 HIS 5 -10.150 1.969 1.721 38 HD2 HIS 5 HD2 HIS 5 -7.867 3.780 4.679 39 HE1 HIS 5 HE1 HIS 5 -11.727 2.347 3.647 40 HE2 HIS 5 HE2 HIS 5 -10.338 3.512 5.399 41 H LEU 6 HN LEU 6 -7.455 1.173 -1.064 42 HA LEU 6 HA LEU 6 -4.659 0.783 -1.724 43 1HB LEU 6 HB2 LEU 6 -6.357 -0.530 -2.870 44 2HB LEU 6 HB1 LEU 6 -7.145 0.930 -3.444 45 HG LEU 6 HG LEU 6 -4.383 0.020 -4.270 46 1HD1 LEU 6 HD11 LEU 6 -6.614 0.006 -6.183 47 2HD1 LEU 6 HD12 LEU 6 -6.712 -1.207 -4.908 48 3HD1 LEU 6 HD13 LEU 6 -5.301 -1.149 -5.962 49 1HD2 LEU 6 HD21 LEU 6 -5.446 1.696 -6.191 50 2HD2 LEU 6 HD22 LEU 6 -4.214 2.128 -5.004 51 3HD2 LEU 6 HD23 LEU 6 -5.915 2.461 -4.674 52 H ALA 7 HN ALA 7 -3.295 2.328 -2.373 53 HA ALA 7 HA ALA 7 -4.248 5.069 -2.430 54 1HB ALA 7 HB1 ALA 7 -1.551 3.793 -2.255 55 2HB ALA 7 HB2 ALA 7 -2.354 4.889 -1.130 56 3HB ALA 7 HB3 ALA 7 -1.706 5.507 -2.655 57 H ASP 8 HN ASP 8 -4.724 6.171 -4.170 58 HA ASP 8 HA ASP 8 -4.392 5.154 -6.805 59 1HB ASP 8 HB2 ASP 8 -5.315 7.850 -5.809 60 2HB ASP 8 HB1 ASP 8 -5.395 7.331 -7.488 61 H THR 9 HN THR 9 -2.259 6.960 -4.843 62 HA THR 9 HA THR 9 -0.890 8.021 -7.221 63 HB THR 9 HB THR 9 -0.440 8.749 -4.314 64 HG1 THR 9 HG1 THR 9 -2.009 9.931 -6.343 65 1HG2 THR 9 HG21 THR 9 1.486 9.150 -5.864 66 2HG2 THR 9 HG22 THR 9 0.845 10.589 -5.068 67 3HG2 THR 9 HG23 THR 9 0.451 10.260 -6.756 68 H TYR 10 HN TYR 10 -0.512 5.549 -7.324 69 HA TYR 10 HA TYR 10 1.951 4.836 -5.884 70 1HB TYR 10 HB2 TYR 10 0.021 3.307 -5.584 71 2HB TYR 10 HB1 TYR 10 -0.066 3.073 -7.321 72 HD1 TYR 10 HD1 TYR 10 2.858 3.009 -4.987 73 HD2 TYR 10 HD2 TYR 10 0.427 0.881 -7.752 74 HE1 TYR 10 HE1 TYR 10 4.396 1.087 -4.853 75 HE2 TYR 10 HE2 TYR 10 1.951 -1.044 -7.621 76 HH TYR 10 HH TYR 10 4.361 -1.441 -7.050 77 H ARG 11 HN ARG 11 2.915 2.890 -7.752 78 HA ARG 11 HA ARG 11 3.760 4.623 -9.939 79 1HB ARG 11 HB2 ARG 11 5.209 2.128 -9.128 80 2HB ARG 11 HB1 ARG 11 5.852 3.615 -9.811 81 1HG ARG 11 HG2 ARG 11 5.413 4.757 -7.658 82 2HG ARG 11 HG1 ARG 11 4.879 3.218 -6.980 83 1HD ARG 11 HD2 ARG 11 7.629 3.850 -8.060 84 2HD ARG 11 HD1 ARG 11 7.181 3.693 -6.363 85 HE ARG 11 HE ARG 11 6.500 1.307 -7.638 86 1HH1 ARG 11 HH11 ARG 11 9.364 3.131 -6.877 87 2HH1 ARG 11 HH12 ARG 11 10.376 1.735 -6.779 88 1HH2 ARG 11 HH21 ARG 11 7.836 -0.519 -7.525 89 2HH2 ARG 11 HH22 ARG 11 9.511 -0.333 -7.149 90 H GLY 12 HN GLY 12 4.980 2.276 -11.299 91 1HA GLY 12 HA2 GLY 12 2.653 1.522 -12.844 92 2HA GLY 12 HA1 GLY 12 4.326 1.121 -13.213 93 H VAL 13 HN VAL 13 4.890 -0.948 -12.988 94 HA VAL 13 HA VAL 13 3.026 -2.830 -11.795 95 HB VAL 13 HB VAL 13 5.663 -3.338 -13.191 96 1HG1 VAL 13 HG11 VAL 13 3.493 -5.202 -12.250 97 2HG1 VAL 13 HG12 VAL 13 5.210 -5.235 -11.846 98 3HG1 VAL 13 HG13 VAL 13 4.679 -5.654 -13.474 99 1HG2 VAL 13 HG21 VAL 13 2.820 -3.386 -14.192 100 2HG2 VAL 13 HG22 VAL 13 4.193 -4.051 -15.079 101 3HG2 VAL 13 HG23 VAL 13 4.126 -2.325 -14.720 102 H CYS 14 HN CYS 14 3.592 -4.401 -10.199 103 HA CYS 14 HA CYS 14 5.635 -3.440 -8.313 104 1HB CYS 14 HB2 CYS 14 3.412 -3.564 -7.345 105 2HB CYS 14 HB1 CYS 14 3.257 -5.251 -7.846 106 H PHE 15 HN PHE 15 7.265 -4.697 -7.593 107 HA PHE 15 HA PHE 15 7.479 -7.413 -8.701 108 1HB PHE 15 HB2 PHE 15 9.730 -5.430 -8.289 109 2HB PHE 15 HB1 PHE 15 9.925 -7.094 -8.836 110 HD1 PHE 15 HD1 PHE 15 7.843 -4.126 -9.791 111 HD2 PHE 15 HD2 PHE 15 10.329 -7.338 -11.066 112 HE1 PHE 15 HE1 PHE 15 7.580 -3.396 -12.123 113 HE2 PHE 15 HE2 PHE 15 10.072 -6.610 -13.405 114 HZ PHE 15 HZ PHE 15 8.696 -4.636 -13.934 115 H THR 16 HN THR 16 8.363 -5.281 -5.987 116 HA THR 16 HA THR 16 8.585 -7.686 -4.299 117 HB THR 16 HB THR 16 10.411 -6.612 -3.046 118 HG1 THR 16 HG1 THR 16 10.626 -4.679 -5.079 119 1HG2 THR 16 HG21 THR 16 11.576 -6.307 -5.688 120 2HG2 THR 16 HG22 THR 16 10.662 -7.803 -5.504 121 3HG2 THR 16 HG23 THR 16 11.980 -7.429 -4.392 122 H ASN 17 HN ASN 17 7.886 -7.512 -2.163 123 HA ASN 17 HA ASN 17 5.642 -5.988 -1.634 124 1HB ASN 17 HB2 ASN 17 7.576 -7.207 0.344 125 2HB ASN 17 HB1 ASN 17 5.925 -6.713 0.702 126 1HD2 ASN 17 HD21 ASN 17 4.580 -8.347 0.797 127 2HD2 ASN 17 HD22 ASN 17 4.657 -9.788 -0.152 128 H ALA 18 HN ALA 18 8.939 -4.964 -1.391 129 HA ALA 18 HA ALA 18 8.684 -3.020 0.632 130 1HB ALA 18 HB1 ALA 18 10.820 -3.963 -0.266 131 2HB ALA 18 HB2 ALA 18 10.802 -2.211 -0.070 132 3HB ALA 18 HB3 ALA 18 10.614 -2.921 -1.674 133 H SER 19 HN SER 19 7.921 -2.878 -2.810 134 HA SER 19 HA SER 19 7.939 -0.144 -3.242 135 1HB SER 19 HB2 SER 19 6.408 -0.496 -5.056 136 2HB SER 19 HB1 SER 19 7.442 -1.923 -4.962 137 HG SER 19 HG SER 19 4.833 -1.892 -4.953 138 H CYS 20 HN CYS 20 4.978 -1.974 -2.443 139 HA CYS 20 HA CYS 20 3.346 0.188 -1.884 140 1HB CYS 20 HB2 CYS 20 3.292 -2.607 -0.771 141 2HB CYS 20 HB1 CYS 20 2.000 -1.436 -0.526 142 H ASP 21 HN ASP 21 5.430 -1.609 0.402 143 HA ASP 21 HA ASP 21 4.579 -0.394 2.748 144 1HB ASP 21 HB2 ASP 21 6.098 -2.297 2.731 145 2HB ASP 21 HB1 ASP 21 7.367 -1.316 2.011 146 H ASP 22 HN ASP 22 7.581 0.544 1.050 147 HA ASP 22 HA ASP 22 8.064 2.981 2.269 148 1HB ASP 22 HB2 ASP 22 9.634 2.006 0.685 149 2HB ASP 22 HB1 ASP 22 8.482 2.183 -0.628 150 H HIS 23 HN HIS 23 6.311 2.399 -0.708 151 HA HIS 23 HA HIS 23 5.310 4.858 -1.348 152 1HB HIS 23 HB2 HIS 23 4.987 2.952 -2.769 153 2HB HIS 23 HB1 HIS 23 4.112 2.091 -1.527 154 HD1 HIS 23 HD1 HIS 23 3.412 5.562 -2.893 155 HD2 HIS 23 HD2 HIS 23 1.708 1.820 -2.678 156 HE1 HIS 23 HE1 HIS 23 1.038 5.852 -3.692 157 HE2 HIS 23 HE2 HIS 23 0.011 3.569 -3.511 158 H CYS 24 HN CYS 24 3.610 2.441 0.643 159 HA CYS 24 HA CYS 24 1.514 4.094 1.473 160 1HB CYS 24 HB2 CYS 24 2.772 1.647 2.680 161 2HB CYS 24 HB1 CYS 24 1.450 2.481 3.491 162 H LYS 25 HN LYS 25 4.554 3.368 3.211 163 HA LYS 25 HA LYS 25 4.068 4.980 5.435 164 1HB LYS 25 HB2 LYS 25 6.697 4.259 4.143 165 2HB LYS 25 HB1 LYS 25 6.540 4.993 5.735 166 1HG LYS 25 HG2 LYS 25 5.225 3.036 6.468 167 2HG LYS 25 HG1 LYS 25 5.497 2.296 4.888 168 1HD LYS 25 HD2 LYS 25 7.904 2.321 5.270 169 2HD LYS 25 HD1 LYS 25 7.663 3.111 6.829 170 1HE LYS 25 HE2 LYS 25 6.612 0.385 6.077 171 2HE LYS 25 HE1 LYS 25 8.064 0.683 7.032 172 1HZ LYS 25 HZ1 LYS 25 5.905 2.102 8.160 173 2HZ LYS 25 HZ2 LYS 25 6.811 0.852 8.842 174 3HZ LYS 25 HZ3 LYS 25 5.417 0.486 7.938 175 H ASN 26 HN ASN 26 5.551 5.843 2.334 176 HA ASN 26 HA ASN 26 6.017 8.558 3.219 177 1HB ASN 26 HB2 ASN 26 6.583 7.081 0.664 178 2HB ASN 26 HB1 ASN 26 6.855 8.803 0.809 179 1HD2 ASN 26 HD21 ASN 26 8.420 6.149 0.717 180 2HD2 ASN 26 HD22 ASN 26 9.693 6.473 1.835 181 H LYS 27 HN LYS 27 3.687 6.928 1.087 182 HA LYS 27 HA LYS 27 2.587 9.448 0.183 183 1HB LYS 27 HB2 LYS 27 1.662 6.599 -0.180 184 2HB LYS 27 HB1 LYS 27 0.798 7.982 -0.838 185 1HG LYS 27 HG2 LYS 27 3.626 7.186 -1.495 186 2HG LYS 27 HG1 LYS 27 2.202 6.922 -2.511 187 1HD LYS 27 HD2 LYS 27 1.866 9.391 -2.563 188 2HD LYS 27 HD1 LYS 27 3.383 9.577 -1.677 189 1HE LYS 27 HE2 LYS 27 4.547 8.400 -3.521 190 2HE LYS 27 HE1 LYS 27 3.026 8.353 -4.414 191 1HZ LYS 27 HZ1 LYS 27 3.951 10.247 -5.264 192 2HZ LYS 27 HZ2 LYS 27 4.767 10.641 -3.836 193 3HZ LYS 27 HZ3 LYS 27 3.103 10.924 -3.963 194 H ALA 28 HN ALA 28 1.349 6.800 2.235 195 HA ALA 28 HA ALA 28 -0.387 8.774 3.557 196 1HB ALA 28 HB1 ALA 28 -1.165 5.964 2.778 197 2HB ALA 28 HB2 ALA 28 -1.773 7.458 2.064 198 3HB ALA 28 HB3 ALA 28 -2.147 7.068 3.743 199 H HIS 29 HN HIS 29 1.250 8.908 5.082 200 HA HIS 29 HA HIS 29 2.760 7.413 6.538 201 1HB HIS 29 HB2 HIS 29 2.322 9.795 6.976 202 2HB HIS 29 HB1 HIS 29 0.824 9.360 7.796 203 HD1 HIS 29 HD1 HIS 29 4.469 8.311 8.140 204 HD2 HIS 29 HD2 HIS 29 1.190 9.378 10.456 205 HE1 HIS 29 HE1 HIS 29 5.275 8.230 10.524 206 HE2 HIS 29 HE2 HIS 29 3.310 9.014 11.895 207 H LEU 30 HN LEU 30 1.832 5.315 6.318 208 HA LEU 30 HA LEU 30 0.185 4.551 8.643 209 1HB LEU 30 HB2 LEU 30 0.030 3.681 5.817 210 2HB LEU 30 HB1 LEU 30 -0.211 2.442 7.031 211 HG LEU 30 HG LEU 30 -2.110 3.621 7.945 212 1HD1 LEU 30 HD11 LEU 30 -2.901 5.696 7.224 213 2HD1 LEU 30 HD12 LEU 30 -1.844 5.714 5.815 214 3HD1 LEU 30 HD13 LEU 30 -1.168 5.924 7.429 215 1HD2 LEU 30 HD21 LEU 30 -2.381 3.628 4.953 216 2HD2 LEU 30 HD22 LEU 30 -3.640 3.350 6.154 217 3HD2 LEU 30 HD23 LEU 30 -2.361 2.158 5.928 218 H ILE 31 HN ILE 31 0.450 2.021 8.958 219 HA ILE 31 HA ILE 31 3.145 1.658 9.798 220 HB ILE 31 HB ILE 31 2.384 -0.485 10.699 221 1HG1 ILE 31 HG12 ILE 31 -0.255 0.270 9.449 222 2HG1 ILE 31 HG11 ILE 31 0.771 -1.095 9.015 223 1HG2 ILE 31 HG21 ILE 31 0.761 1.964 11.291 224 2HG2 ILE 31 HG22 ILE 31 2.176 1.360 12.151 225 3HG2 ILE 31 HG23 ILE 31 0.643 0.493 12.256 226 1HD1 ILE 31 HD11 ILE 31 -0.683 -2.191 10.350 227 2HD1 ILE 31 HD12 ILE 31 -1.073 -0.751 11.288 228 3HD1 ILE 31 HD13 ILE 31 0.421 -1.631 11.605 229 H SER 32 HN SER 32 1.123 -0.020 7.379 230 HA SER 32 HA SER 32 3.481 -0.654 5.851 231 1HB SER 32 HB2 SER 32 3.238 -3.095 5.948 232 2HB SER 32 HB1 SER 32 3.565 -2.419 7.545 233 HG SER 32 HG SER 32 1.434 -3.852 6.711 234 H GLY 33 HN GLY 33 3.019 -1.941 3.900 235 1HA GLY 33 HA2 GLY 33 0.269 -2.092 2.979 236 2HA GLY 33 HA1 GLY 33 1.255 -0.881 2.168 237 H THR 34 HN THR 34 0.010 -3.529 1.304 238 HA THR 34 HA THR 34 2.480 -4.697 0.181 239 HB THR 34 HB THR 34 -0.014 -6.135 1.100 240 HG1 THR 34 HG1 THR 34 1.182 -6.016 2.855 241 1HG2 THR 34 HG21 THR 34 0.724 -7.309 -0.841 242 2HG2 THR 34 HG22 THR 34 1.240 -8.214 0.582 243 3HG2 THR 34 HG23 THR 34 2.404 -7.235 -0.308 244 H CYS 35 HN CYS 35 2.189 -5.867 -1.876 245 HA CYS 35 HA CYS 35 0.571 -4.310 -3.694 246 1HB CYS 35 HB2 CYS 35 2.541 -6.552 -4.162 247 2HB CYS 35 HB1 CYS 35 1.666 -5.738 -5.458 248 H HIS 36 HN HIS 36 -1.355 -4.809 -4.444 249 HA HIS 36 HA HIS 36 -2.241 -7.631 -4.452 250 1HB HIS 36 HB2 HIS 36 -3.890 -5.216 -3.675 251 2HB HIS 36 HB1 HIS 36 -4.536 -6.831 -3.913 252 HD1 HIS 36 HD1 HIS 36 -3.322 -8.685 -2.222 253 HD2 HIS 36 HD2 HIS 36 -3.268 -4.688 -1.131 254 HE1 HIS 36 HE1 HIS 36 -2.961 -8.676 0.266 255 HE2 HIS 36 HE2 HIS 36 -3.155 -6.252 0.932 256 H ASN 37 HN ASN 37 -2.810 -8.261 -6.474 257 HA ASN 37 HA ASN 37 -3.292 -8.148 -8.718 258 1HB ASN 37 HB2 ASN 37 -5.005 -5.819 -7.806 259 2HB ASN 37 HB1 ASN 37 -5.180 -6.689 -9.330 260 1HD2 ASN 37 HD21 ASN 37 -6.367 -6.395 -6.294 261 2HD2 ASN 37 HD22 ASN 37 -7.098 -7.947 -6.116 262 H TRP 38 HN TRP 38 -0.966 -6.706 -7.792 263 HA TRP 38 HA TRP 38 0.692 -5.459 -8.719 264 1HB TRP 38 HB2 TRP 38 -1.276 -4.726 -10.895 265 2HB TRP 38 HB1 TRP 38 0.467 -4.516 -10.948 266 HD1 TRP 38 HD1 TRP 38 -2.220 -6.959 -11.648 267 HE1 TRP 38 HE1 TRP 38 -1.224 -9.185 -12.489 268 HE3 TRP 38 HE3 TRP 38 2.685 -6.094 -10.552 269 HZ2 TRP 38 HZ2 TRP 38 1.315 -10.403 -12.648 270 HZ3 TRP 38 HZ3 TRP 38 4.341 -7.838 -11.070 271 HH2 TRP 38 HH2 TRP 38 3.668 -9.950 -12.097 272 H LYS 39 HN LYS 39 -1.948 -4.370 -7.228 273 HA LYS 39 HA LYS 39 -1.244 -1.516 -7.473 274 1HB LYS 39 HB2 LYS 39 -3.773 -2.777 -6.378 275 2HB LYS 39 HB1 LYS 39 -3.471 -1.051 -6.547 276 1HG LYS 39 HG2 LYS 39 -3.366 -1.284 -8.963 277 2HG LYS 39 HG1 LYS 39 -3.609 -3.026 -8.818 278 1HD LYS 39 HD2 LYS 39 -5.807 -2.609 -7.778 279 2HD LYS 39 HD1 LYS 39 -5.562 -0.874 -7.995 280 1HE LYS 39 HE2 LYS 39 -5.441 -1.186 -10.414 281 2HE LYS 39 HE1 LYS 39 -5.652 -2.925 -10.207 282 1HZ LYS 39 HZ1 LYS 39 -7.758 -1.661 -8.873 283 2HZ LYS 39 HZ2 LYS 39 -7.838 -2.607 -10.271 284 3HZ LYS 39 HZ3 LYS 39 -7.635 -0.934 -10.395 285 H CYS 40 HN CYS 40 -1.795 -0.340 -5.209 286 HA CYS 40 HA CYS 40 -0.501 -1.963 -3.127 287 1HB CYS 40 HB2 CYS 40 -0.102 0.909 -3.876 288 2HB CYS 40 HB1 CYS 40 0.223 0.352 -2.237 289 H PHE 41 HN PHE 41 -1.379 -2.164 -1.234 290 HA PHE 41 HA PHE 41 -3.697 -0.476 -0.548 291 1HB PHE 41 HB2 PHE 41 -3.233 -3.400 0.106 292 2HB PHE 41 HB1 PHE 41 -4.561 -2.429 0.737 293 HD1 PHE 41 HD1 PHE 41 -3.156 -2.664 -2.723 294 HD2 PHE 41 HD2 PHE 41 -6.494 -3.298 -0.155 295 HE1 PHE 41 HE1 PHE 41 -4.524 -3.260 -4.665 296 HE2 PHE 41 HE2 PHE 41 -7.874 -3.900 -2.098 297 HZ PHE 41 HZ PHE 41 -6.893 -3.869 -4.362 298 H CYS 42 HN CYS 42 -3.559 0.588 1.337 299 HA CYS 42 HA CYS 42 -1.263 -0.020 3.074 300 1HB CYS 42 HB2 CYS 42 -2.894 2.525 2.845 301 2HB CYS 42 HB1 CYS 42 -1.447 2.299 3.814 302 H THR 43 HN THR 43 -1.605 -0.468 5.229 303 HA THR 43 HA THR 43 -4.424 -0.703 6.067 304 HB THR 43 HB THR 43 -3.313 -2.840 6.055 305 HG1 THR 43 HG1 THR 43 -3.225 -2.283 8.785 306 1HG2 THR 43 HG21 THR 43 -1.106 -1.389 7.363 307 2HG2 THR 43 HG22 THR 43 -1.073 -2.761 6.257 308 3HG2 THR 43 HG23 THR 43 -1.444 -3.011 7.962 309 H GLN 44 HN GLN 44 -5.187 0.311 7.789 310 HA GLN 44 HA GLN 44 -3.303 1.720 9.571 311 1HB GLN 44 HB2 GLN 44 -4.259 3.291 7.917 312 2HB GLN 44 HB1 GLN 44 -5.875 2.839 8.433 313 1HG GLN 44 HG2 GLN 44 -5.393 3.722 10.672 314 2HG GLN 44 HG1 GLN 44 -3.791 4.208 10.120 315 1HE2 GLN 44 HE21 GLN 44 -3.611 6.238 9.511 316 2HE2 GLN 44 HE22 GLN 44 -4.890 7.244 8.937 317 H ASN 45 HN ASN 45 -3.881 1.833 11.722 318 HA ASN 45 HA ASN 45 -5.659 -0.120 12.740 319 1HB ASN 45 HB2 ASN 45 -4.444 2.270 14.163 320 2HB ASN 45 HB1 ASN 45 -5.131 0.840 14.929 321 1HD2 ASN 45 HD21 ASN 45 -2.326 2.278 14.040 322 2HD2 ASN 45 HD22 ASN 45 -1.303 0.890 13.966 323 H CYS 46 HN CYS 46 -7.796 0.016 13.275 324 HA CYS 46 HA CYS 46 -9.066 2.585 13.697 325 1HB CYS 46 HB2 CYS 46 -10.777 2.235 11.944 326 2HB CYS 46 HB1 CYS 46 -9.157 2.458 11.282 Start of MODEL 3 1 1H LYS 1 HT1 LYS 1 -9.617 -5.856 15.247 2 2H LYS 1 HT2 LYS 1 -9.752 -4.173 15.126 3 3H LYS 1 HT3 LYS 1 -8.226 -4.892 15.237 4 HA LYS 1 HA LYS 1 -8.566 -5.989 13.096 5 1HB LYS 1 HB2 LYS 1 -11.124 -4.359 13.129 6 2HB LYS 1 HB1 LYS 1 -10.513 -5.225 11.728 7 1HG LYS 1 HG2 LYS 1 -10.748 -7.344 12.929 8 2HG LYS 1 HG1 LYS 1 -11.370 -6.473 14.336 9 1HD LYS 1 HD2 LYS 1 -13.265 -5.676 13.035 10 2HD LYS 1 HD1 LYS 1 -12.626 -6.455 11.589 11 1HE LYS 1 HE2 LYS 1 -14.411 -7.787 12.546 12 2HE LYS 1 HE1 LYS 1 -12.876 -8.646 12.666 13 1HZ LYS 1 HZ1 LYS 1 -14.426 -8.603 14.699 14 2HZ LYS 1 HZ2 LYS 1 -13.870 -7.021 14.927 15 3HZ LYS 1 HZ3 LYS 1 -12.777 -8.312 14.949 16 H THR 2 HN THR 2 -8.622 -4.625 10.896 17 HA THR 2 HA THR 2 -7.729 -1.876 11.335 18 HB THR 2 HB THR 2 -5.710 -2.200 9.950 19 HG1 THR 2 HG1 THR 2 -5.989 -4.979 10.260 20 1HG2 THR 2 HG21 THR 2 -4.400 -2.711 11.674 21 2HG2 THR 2 HG22 THR 2 -5.184 -4.267 11.941 22 3HG2 THR 2 HG23 THR 2 -5.905 -2.797 12.593 23 H CYS 3 HN CYS 3 -7.554 -0.633 9.329 24 HA CYS 3 HA CYS 3 -9.433 -1.657 7.297 25 1HB CYS 3 HB2 CYS 3 -8.760 1.196 8.045 26 2HB CYS 3 HB1 CYS 3 -9.875 0.724 6.767 27 H GLU 4 HN GLU 4 -8.717 -2.021 5.298 28 HA GLU 4 HA GLU 4 -6.106 -0.896 4.525 29 1HB GLU 4 HB2 GLU 4 -7.442 -3.434 3.572 30 2HB GLU 4 HB1 GLU 4 -5.943 -2.792 2.919 31 1HG GLU 4 HG2 GLU 4 -4.973 -2.979 5.222 32 2HG GLU 4 HG1 GLU 4 -6.437 -3.832 5.694 33 H HIS 5 HN HIS 5 -5.871 0.197 2.645 34 HA HIS 5 HA HIS 5 -8.076 0.277 0.731 35 1HB HIS 5 HB2 HIS 5 -6.998 2.758 2.090 36 2HB HIS 5 HB1 HIS 5 -8.084 2.763 0.707 37 HD1 HIS 5 HD1 HIS 5 -10.320 1.038 1.381 38 HD2 HIS 5 HD2 HIS 5 -8.420 3.285 4.308 39 HE1 HIS 5 HE1 HIS 5 -12.002 1.277 3.237 40 HE2 HIS 5 HE2 HIS 5 -10.873 2.752 4.940 41 H LEU 6 HN LEU 6 -7.483 0.826 -1.342 42 HA LEU 6 HA LEU 6 -4.634 0.727 -1.935 43 1HB LEU 6 HB2 LEU 6 -6.100 -0.718 -3.193 44 2HB LEU 6 HB1 LEU 6 -7.111 0.637 -3.667 45 HG LEU 6 HG LEU 6 -4.267 0.163 -4.583 46 1HD1 LEU 6 HD11 LEU 6 -6.150 0.092 -6.682 47 2HD1 LEU 6 HD12 LEU 6 -6.762 -0.954 -5.402 48 3HD1 LEU 6 HD13 LEU 6 -5.154 -1.227 -6.069 49 1HD2 LEU 6 HD21 LEU 6 -5.400 1.877 -6.357 50 2HD2 LEU 6 HD22 LEU 6 -4.383 2.377 -5.009 51 3HD2 LEU 6 HD23 LEU 6 -6.138 2.420 -4.852 52 H ALA 7 HN ALA 7 -3.440 2.441 -2.544 53 HA ALA 7 HA ALA 7 -4.712 5.057 -2.545 54 1HB ALA 7 HB1 ALA 7 -1.827 4.205 -2.479 55 2HB ALA 7 HB2 ALA 7 -2.792 4.870 -1.161 56 3HB ALA 7 HB3 ALA 7 -2.346 5.889 -2.530 57 H ASP 8 HN ASP 8 -5.183 6.202 -4.290 58 HA ASP 8 HA ASP 8 -4.687 5.273 -6.931 59 1HB ASP 8 HB2 ASP 8 -5.761 7.877 -5.861 60 2HB ASP 8 HB1 ASP 8 -5.638 7.527 -7.581 61 H THR 9 HN THR 9 -2.693 7.007 -4.818 62 HA THR 9 HA THR 9 -1.266 8.264 -7.052 63 HB THR 9 HB THR 9 -0.967 8.775 -4.081 64 HG1 THR 9 HG1 THR 9 -2.413 10.154 -6.091 65 1HG2 THR 9 HG21 THR 9 0.981 9.601 -4.905 66 2HG2 THR 9 HG22 THR 9 -0.066 11.003 -5.097 67 3HG2 THR 9 HG23 THR 9 0.304 9.976 -6.485 68 H TYR 10 HN TYR 10 -0.877 5.763 -7.242 69 HA TYR 10 HA TYR 10 1.636 5.067 -5.883 70 1HB TYR 10 HB2 TYR 10 -0.069 3.406 -5.480 71 2HB TYR 10 HB1 TYR 10 -0.471 3.325 -7.182 72 HD1 TYR 10 HD1 TYR 10 2.788 3.091 -5.340 73 HD2 TYR 10 HD2 TYR 10 0.024 1.246 -7.993 74 HE1 TYR 10 HE1 TYR 10 4.334 1.197 -5.630 75 HE2 TYR 10 HE2 TYR 10 1.563 -0.647 -8.290 76 HH TYR 10 HH TYR 10 4.814 -0.592 -7.101 77 H ARG 11 HN ARG 11 3.326 4.156 -7.168 78 HA ARG 11 HA ARG 11 3.313 5.161 -9.914 79 1HB ARG 11 HB2 ARG 11 5.873 5.073 -9.540 80 2HB ARG 11 HB1 ARG 11 4.926 6.374 -8.830 81 1HG ARG 11 HG2 ARG 11 4.899 5.199 -6.695 82 2HG ARG 11 HG1 ARG 11 5.840 3.882 -7.402 83 1HD ARG 11 HD2 ARG 11 7.228 5.456 -6.115 84 2HD ARG 11 HD1 ARG 11 7.689 5.373 -7.817 85 HE ARG 11 HE ARG 11 5.877 7.476 -7.523 86 1HH1 ARG 11 HH11 ARG 11 9.067 6.661 -6.420 87 2HH1 ARG 11 HH12 ARG 11 9.632 8.295 -6.450 88 1HH2 ARG 11 HH21 ARG 11 6.615 9.620 -7.576 89 2HH2 ARG 11 HH22 ARG 11 8.239 9.973 -7.102 90 H GLY 12 HN GLY 12 3.392 3.807 -11.534 91 1HA GLY 12 HA2 GLY 12 3.681 1.909 -12.785 92 2HA GLY 12 HA1 GLY 12 5.136 1.661 -11.830 93 H VAL 13 HN VAL 13 4.520 -0.600 -12.304 94 HA VAL 13 HA VAL 13 2.347 -1.676 -10.674 95 HB VAL 13 HB VAL 13 4.250 -3.094 -12.556 96 1HG1 VAL 13 HG11 VAL 13 1.955 -4.022 -10.890 97 2HG1 VAL 13 HG12 VAL 13 3.514 -4.794 -11.190 98 3HG1 VAL 13 HG13 VAL 13 2.273 -4.791 -12.443 99 1HG2 VAL 13 HG21 VAL 13 1.367 -2.726 -13.173 100 2HG2 VAL 13 HG22 VAL 13 2.752 -2.835 -14.257 101 3HG2 VAL 13 HG23 VAL 13 2.438 -1.340 -13.378 102 H CYS 14 HN CYS 14 2.737 -3.395 -9.100 103 HA CYS 14 HA CYS 14 5.301 -2.996 -7.739 104 1HB CYS 14 HB2 CYS 14 3.454 -2.840 -6.238 105 2HB CYS 14 HB1 CYS 14 2.774 -4.365 -6.818 106 H PHE 15 HN PHE 15 6.816 -4.500 -7.403 107 HA PHE 15 HA PHE 15 6.381 -7.154 -8.594 108 1HB PHE 15 HB2 PHE 15 8.964 -5.577 -8.500 109 2HB PHE 15 HB1 PHE 15 8.793 -7.215 -9.130 110 HD1 PHE 15 HD1 PHE 15 8.656 -7.427 -11.400 111 HD2 PHE 15 HD2 PHE 15 7.197 -3.862 -9.592 112 HE1 PHE 15 HE1 PHE 15 8.132 -6.514 -13.625 113 HE2 PHE 15 HE2 PHE 15 6.666 -2.947 -11.809 114 HZ PHE 15 HZ PHE 15 7.133 -4.273 -13.831 115 H THR 16 HN THR 16 7.823 -5.340 -5.930 116 HA THR 16 HA THR 16 8.037 -7.857 -4.417 117 HB THR 16 HB THR 16 10.066 -7.047 -3.326 118 HG1 THR 16 HG1 THR 16 10.096 -4.880 -5.141 119 1HG2 THR 16 HG21 THR 16 10.876 -6.517 -6.091 120 2HG2 THR 16 HG22 THR 16 10.016 -8.035 -5.836 121 3HG2 THR 16 HG23 THR 16 11.489 -7.689 -4.928 122 H ASN 17 HN ASN 17 7.492 -7.767 -2.242 123 HA ASN 17 HA ASN 17 5.442 -6.211 -1.385 124 1HB ASN 17 HB2 ASN 17 7.652 -7.375 0.325 125 2HB ASN 17 HB1 ASN 17 6.077 -6.857 0.917 126 1HD2 ASN 17 HD21 ASN 17 4.756 -8.482 1.271 127 2HD2 ASN 17 HD22 ASN 17 4.689 -9.955 0.371 128 H ALA 18 HN ALA 18 8.875 -5.411 -1.098 129 HA ALA 18 HA ALA 18 8.683 -3.241 0.649 130 1HB ALA 18 HB1 ALA 18 10.892 -3.184 0.417 131 2HB ALA 18 HB2 ALA 18 10.785 -2.907 -1.322 132 3HB ALA 18 HB3 ALA 18 10.716 -4.549 -0.685 133 H SER 19 HN SER 19 7.855 -3.392 -2.747 134 HA SER 19 HA SER 19 8.207 -0.669 -3.390 135 1HB SER 19 HB2 SER 19 7.857 -2.413 -5.097 136 2HB SER 19 HB1 SER 19 6.189 -2.600 -4.556 137 HG SER 19 HG SER 19 7.341 -0.227 -5.632 138 H CYS 20 HN CYS 20 5.370 -2.368 -2.051 139 HA CYS 20 HA CYS 20 3.785 0.041 -2.030 140 1HB CYS 20 HB2 CYS 20 3.306 -2.710 -0.923 141 2HB CYS 20 HB1 CYS 20 2.156 -1.394 -0.738 142 H ASP 21 HN ASP 21 5.544 -1.878 0.383 143 HA ASP 21 HA ASP 21 4.659 -0.673 2.711 144 1HB ASP 21 HB2 ASP 21 6.246 -2.598 2.643 145 2HB ASP 21 HB1 ASP 21 7.527 -1.498 2.141 146 H ASP 22 HN ASP 22 7.715 0.234 1.092 147 HA ASP 22 HA ASP 22 8.215 2.639 2.351 148 1HB ASP 22 HB2 ASP 22 9.759 1.551 0.754 149 2HB ASP 22 HB1 ASP 22 8.682 1.963 -0.572 150 H HIS 23 HN HIS 23 6.496 2.126 -0.673 151 HA HIS 23 HA HIS 23 5.608 4.636 -1.312 152 1HB HIS 23 HB2 HIS 23 5.276 2.753 -2.762 153 2HB HIS 23 HB1 HIS 23 4.290 1.932 -1.578 154 HD1 HIS 23 HD1 HIS 23 3.910 5.443 -2.944 155 HD2 HIS 23 HD2 HIS 23 1.905 1.846 -2.801 156 HE1 HIS 23 HE1 HIS 23 1.639 5.886 -3.932 157 HE2 HIS 23 HE2 HIS 23 0.382 3.742 -3.648 158 H CYS 24 HN CYS 24 3.704 2.268 0.557 159 HA CYS 24 HA CYS 24 1.647 3.995 1.296 160 1HB CYS 24 HB2 CYS 24 2.763 1.516 2.556 161 2HB CYS 24 HB1 CYS 24 1.463 2.410 3.339 162 H LYS 25 HN LYS 25 4.529 3.151 3.251 163 HA LYS 25 HA LYS 25 3.974 4.828 5.405 164 1HB LYS 25 HB2 LYS 25 6.610 3.852 4.313 165 2HB LYS 25 HB1 LYS 25 6.473 4.752 5.818 166 1HG LYS 25 HG2 LYS 25 5.088 3.011 6.776 167 2HG LYS 25 HG1 LYS 25 5.098 2.130 5.247 168 1HD LYS 25 HD2 LYS 25 7.477 1.754 5.425 169 2HD LYS 25 HD1 LYS 25 7.562 2.755 6.876 170 1HE LYS 25 HE2 LYS 25 6.361 1.181 8.156 171 2HE LYS 25 HE1 LYS 25 5.835 0.297 6.725 172 1HZ LYS 25 HZ1 LYS 25 8.013 -0.536 6.379 173 2HZ LYS 25 HZ2 LYS 25 7.678 -0.767 8.024 174 3HZ LYS 25 HZ3 LYS 25 8.686 0.504 7.540 175 H ASN 26 HN ASN 26 5.718 5.594 2.414 176 HA ASN 26 HA ASN 26 6.270 8.286 3.320 177 1HB ASN 26 HB2 ASN 26 6.894 6.770 0.804 178 2HB ASN 26 HB1 ASN 26 7.221 8.483 0.939 179 1HD2 ASN 26 HD21 ASN 26 8.710 5.803 0.918 180 2HD2 ASN 26 HD22 ASN 26 9.935 6.085 2.100 181 H LYS 27 HN LYS 27 3.946 6.779 1.108 182 HA LYS 27 HA LYS 27 3.056 9.368 0.140 183 1HB LYS 27 HB2 LYS 27 2.034 6.571 -0.346 184 2HB LYS 27 HB1 LYS 27 1.279 8.004 -1.032 185 1HG LYS 27 HG2 LYS 27 4.116 7.110 -1.501 186 2HG LYS 27 HG1 LYS 27 2.763 6.924 -2.626 187 1HD LYS 27 HD2 LYS 27 2.513 9.376 -2.692 188 2HD LYS 27 HD1 LYS 27 3.887 9.536 -1.596 189 1HE LYS 27 HE2 LYS 27 5.310 8.427 -3.287 190 2HE LYS 27 HE1 LYS 27 3.930 8.385 -4.387 191 1HZ LYS 27 HZ1 LYS 27 4.209 10.526 -4.917 192 2HZ LYS 27 HZ2 LYS 27 5.733 10.411 -4.191 193 3HZ LYS 27 HZ3 LYS 27 4.420 11.006 -3.304 194 H ALA 28 HN ALA 28 1.586 6.774 2.094 195 HA ALA 28 HA ALA 28 -0.207 8.811 3.223 196 1HB ALA 28 HB1 ALA 28 -1.032 5.946 2.811 197 2HB ALA 28 HB2 ALA 28 -1.324 7.205 1.610 198 3HB ALA 28 HB3 ALA 28 -2.044 7.334 3.215 199 H HIS 29 HN HIS 29 1.294 9.046 4.848 200 HA HIS 29 HA HIS 29 2.727 7.658 6.486 201 1HB HIS 29 HB2 HIS 29 2.178 10.054 6.769 202 2HB HIS 29 HB1 HIS 29 0.650 9.597 7.520 203 HD1 HIS 29 HD1 HIS 29 4.337 8.849 8.129 204 HD2 HIS 29 HD2 HIS 29 0.823 9.629 10.201 205 HE1 HIS 29 HE1 HIS 29 4.982 8.862 10.561 206 HE2 HIS 29 HE2 HIS 29 2.864 9.475 11.782 207 H LEU 30 HN LEU 30 1.800 5.523 6.254 208 HA LEU 30 HA LEU 30 0.006 4.835 8.492 209 1HB LEU 30 HB2 LEU 30 0.034 3.907 5.679 210 2HB LEU 30 HB1 LEU 30 -0.301 2.692 6.899 211 HG LEU 30 HG LEU 30 -2.230 3.947 7.679 212 1HD1 LEU 30 HD11 LEU 30 -2.962 5.979 6.776 213 2HD1 LEU 30 HD12 LEU 30 -1.802 5.909 5.451 214 3HD1 LEU 30 HD13 LEU 30 -1.246 6.207 7.096 215 1HD2 LEU 30 HD21 LEU 30 -2.254 3.695 4.681 216 2HD2 LEU 30 HD22 LEU 30 -3.652 3.666 5.755 217 3HD2 LEU 30 HD23 LEU 30 -2.468 2.360 5.813 218 H ILE 31 HN ILE 31 0.242 2.217 8.740 219 HA ILE 31 HA ILE 31 2.908 1.891 9.761 220 HB ILE 31 HB ILE 31 2.042 -0.190 10.750 221 1HG1 ILE 31 HG12 ILE 31 -0.566 0.665 9.495 222 2HG1 ILE 31 HG11 ILE 31 0.399 -0.737 9.041 223 1HG2 ILE 31 HG21 ILE 31 0.788 2.465 11.223 224 2HG2 ILE 31 HG22 ILE 31 1.883 1.537 12.247 225 3HG2 ILE 31 HG23 ILE 31 0.187 1.069 12.120 226 1HD1 ILE 31 HD11 ILE 31 -1.117 -1.751 10.379 227 2HD1 ILE 31 HD12 ILE 31 -1.364 -0.317 11.375 228 3HD1 ILE 31 HD13 ILE 31 0.072 -1.314 11.604 229 H SER 32 HN SER 32 0.878 0.131 7.399 230 HA SER 32 HA SER 32 3.334 -0.868 6.163 231 1HB SER 32 HB2 SER 32 2.782 -2.624 7.723 232 2HB SER 32 HB1 SER 32 1.116 -2.671 7.146 233 HG SER 32 HG SER 32 1.727 -3.802 5.457 234 H GLY 33 HN GLY 33 3.074 -1.804 4.065 235 1HA GLY 33 HA2 GLY 33 0.526 -1.322 2.686 236 2HA GLY 33 HA1 GLY 33 1.955 -0.479 2.093 237 H THR 34 HN THR 34 0.120 -3.298 1.870 238 HA THR 34 HA THR 34 2.348 -4.825 0.710 239 HB THR 34 HB THR 34 -0.409 -5.722 1.576 240 HG1 THR 34 HG1 THR 34 2.175 -6.131 2.678 241 1HG2 THR 34 HG21 THR 34 0.137 -7.242 -0.119 242 2HG2 THR 34 HG22 THR 34 0.627 -8.029 1.382 243 3HG2 THR 34 HG23 THR 34 1.840 -7.279 0.344 244 H CYS 35 HN CYS 35 1.999 -6.011 -1.278 245 HA CYS 35 HA CYS 35 0.550 -4.389 -3.223 246 1HB CYS 35 HB2 CYS 35 2.480 -6.684 -3.641 247 2HB CYS 35 HB1 CYS 35 1.816 -5.652 -4.909 248 H HIS 36 HN HIS 36 -1.119 -5.066 -4.455 249 HA HIS 36 HA HIS 36 -2.063 -7.838 -4.126 250 1HB HIS 36 HB2 HIS 36 -3.705 -5.311 -3.938 251 2HB HIS 36 HB1 HIS 36 -4.419 -6.893 -4.221 252 HD1 HIS 36 HD1 HIS 36 -3.550 -8.725 -2.263 253 HD2 HIS 36 HD2 HIS 36 -3.663 -4.692 -1.327 254 HE1 HIS 36 HE1 HIS 36 -3.646 -8.624 0.247 255 HE2 HIS 36 HE2 HIS 36 -3.981 -6.180 0.769 256 H ASN 37 HN ASN 37 -2.092 -8.812 -6.019 257 HA ASN 37 HA ASN 37 -2.290 -9.258 -8.235 258 1HB ASN 37 HB2 ASN 37 -4.005 -6.759 -8.271 259 2HB ASN 37 HB1 ASN 37 -3.955 -7.995 -9.528 260 1HD2 ASN 37 HD21 ASN 37 -5.600 -6.922 -6.885 261 2HD2 ASN 37 HD22 ASN 37 -6.449 -8.368 -6.478 262 H TRP 38 HN TRP 38 -2.421 -5.730 -8.405 263 HA TRP 38 HA TRP 38 0.323 -5.542 -9.323 264 1HB TRP 38 HB2 TRP 38 -1.814 -4.448 -11.145 265 2HB TRP 38 HB1 TRP 38 -0.112 -4.648 -11.479 266 HD1 TRP 38 HD1 TRP 38 -3.330 -6.622 -11.250 267 HE1 TRP 38 HE1 TRP 38 -3.078 -8.832 -12.565 268 HE3 TRP 38 HE3 TRP 38 1.644 -6.336 -12.325 269 HZ2 TRP 38 HZ2 TRP 38 -1.024 -10.252 -13.869 270 HZ3 TRP 38 HZ3 TRP 38 2.685 -8.159 -13.607 271 HH2 TRP 38 HH2 TRP 38 1.377 -10.078 -14.361 272 H LYS 39 HN LYS 39 -1.619 -4.433 -7.170 273 HA LYS 39 HA LYS 39 -0.856 -1.614 -7.559 274 1HB LYS 39 HB2 LYS 39 -3.556 -2.605 -6.648 275 2HB LYS 39 HB1 LYS 39 -3.033 -0.932 -6.535 276 1HG LYS 39 HG2 LYS 39 -2.798 -0.832 -8.964 277 2HG LYS 39 HG1 LYS 39 -3.313 -2.517 -9.083 278 1HD LYS 39 HD2 LYS 39 -5.471 -1.936 -8.092 279 2HD LYS 39 HD1 LYS 39 -4.955 -0.257 -7.940 280 1HE LYS 39 HE2 LYS 39 -4.775 -0.080 -10.364 281 2HE LYS 39 HE1 LYS 39 -5.250 -1.772 -10.532 282 1HZ LYS 39 HZ1 LYS 39 -7.387 -1.206 -10.397 283 2HZ LYS 39 HZ2 LYS 39 -6.932 0.423 -10.455 284 3HZ LYS 39 HZ3 LYS 39 -7.147 -0.341 -8.961 285 H CYS 40 HN CYS 40 -1.476 -0.360 -5.366 286 HA CYS 40 HA CYS 40 -0.267 -1.907 -3.181 287 1HB CYS 40 HB2 CYS 40 0.101 0.967 -4.005 288 2HB CYS 40 HB1 CYS 40 0.452 0.420 -2.368 289 H PHE 41 HN PHE 41 -1.377 -2.175 -1.416 290 HA PHE 41 HA PHE 41 -3.613 -0.344 -0.833 291 1HB PHE 41 HB2 PHE 41 -3.351 -3.283 -0.138 292 2HB PHE 41 HB1 PHE 41 -4.667 -2.235 0.383 293 HD1 PHE 41 HD1 PHE 41 -6.586 -2.967 -0.642 294 HD2 PHE 41 HD2 PHE 41 -3.028 -2.659 -2.959 295 HE1 PHE 41 HE1 PHE 41 -7.850 -3.569 -2.662 296 HE2 PHE 41 HE2 PHE 41 -4.287 -3.253 -4.980 297 HZ PHE 41 HZ PHE 41 -6.702 -3.708 -4.838 298 H CYS 42 HN CYS 42 -3.553 0.658 1.110 299 HA CYS 42 HA CYS 42 -1.284 -0.026 2.853 300 1HB CYS 42 HB2 CYS 42 -2.882 2.542 2.653 301 2HB CYS 42 HB1 CYS 42 -1.455 2.281 3.644 302 H THR 43 HN THR 43 -1.612 -0.361 5.047 303 HA THR 43 HA THR 43 -4.429 -0.670 5.867 304 HB THR 43 HB THR 43 -3.155 -2.766 5.877 305 HG1 THR 43 HG1 THR 43 -4.277 -3.251 7.568 306 1HG2 THR 43 HG21 THR 43 -0.915 -1.807 6.345 307 2HG2 THR 43 HG22 THR 43 -1.337 -3.190 7.354 308 3HG2 THR 43 HG23 THR 43 -1.424 -1.557 8.014 309 H GLN 44 HN GLN 44 -5.218 0.468 7.509 310 HA GLN 44 HA GLN 44 -3.324 1.924 9.235 311 1HB GLN 44 HB2 GLN 44 -4.240 3.463 7.558 312 2HB GLN 44 HB1 GLN 44 -5.874 3.024 8.035 313 1HG GLN 44 HG2 GLN 44 -5.490 3.967 10.251 314 2HG GLN 44 HG1 GLN 44 -3.840 4.383 9.794 315 1HE2 GLN 44 HE21 GLN 44 -6.735 5.688 10.298 316 2HE2 GLN 44 HE22 GLN 44 -6.680 7.014 9.193 317 H ASN 45 HN ASN 45 -3.901 2.196 11.360 318 HA ASN 45 HA ASN 45 -5.542 0.254 12.547 319 1HB ASN 45 HB2 ASN 45 -4.574 2.875 13.725 320 2HB ASN 45 HB1 ASN 45 -5.161 1.486 14.634 321 1HD2 ASN 45 HD21 ASN 45 -2.460 3.053 13.728 322 2HD2 ASN 45 HD22 ASN 45 -1.327 1.752 13.790 323 H CYS 46 HN CYS 46 -7.669 0.239 13.112 324 HA CYS 46 HA CYS 46 -9.210 2.671 13.299 325 1HB CYS 46 HB2 CYS 46 -10.840 2.063 11.558 326 2HB CYS 46 HB1 CYS 46 -9.235 2.333 10.880 Start of MODEL 4 1 1H LYS 1 HT1 LYS 1 -9.847 -3.082 15.126 2 2H LYS 1 HT2 LYS 1 -9.388 -4.600 15.715 3 3H LYS 1 HT3 LYS 1 -11.001 -4.307 15.299 4 HA LYS 1 HA LYS 1 -9.086 -5.429 13.689 5 1HB LYS 1 HB2 LYS 1 -11.735 -4.108 13.029 6 2HB LYS 1 HB1 LYS 1 -10.873 -5.180 11.935 7 1HG LYS 1 HG2 LYS 1 -11.081 -7.003 13.561 8 2HG LYS 1 HG1 LYS 1 -11.962 -5.925 14.646 9 1HD LYS 1 HD2 LYS 1 -13.727 -5.664 12.985 10 2HD LYS 1 HD1 LYS 1 -12.835 -6.686 11.856 11 1HE LYS 1 HE2 LYS 1 -13.029 -8.570 13.406 12 2HE LYS 1 HE1 LYS 1 -13.911 -7.547 14.543 13 1HZ LYS 1 HZ1 LYS 1 -15.634 -7.246 12.835 14 2HZ LYS 1 HZ2 LYS 1 -15.451 -8.874 13.261 15 3HZ LYS 1 HZ3 LYS 1 -14.805 -8.302 11.805 16 H THR 2 HN THR 2 -9.137 -4.528 11.145 17 HA THR 2 HA THR 2 -8.327 -1.724 11.148 18 HB THR 2 HB THR 2 -6.213 -2.766 11.525 19 HG1 THR 2 HG1 THR 2 -5.298 -2.445 9.228 20 1HG2 THR 2 HG21 THR 2 -5.519 -4.726 10.750 21 2HG2 THR 2 HG22 THR 2 -6.007 -4.342 9.099 22 3HG2 THR 2 HG23 THR 2 -7.187 -4.985 10.239 23 H CYS 3 HN CYS 3 -7.876 -0.912 8.954 24 HA CYS 3 HA CYS 3 -9.449 -2.302 6.884 25 1HB CYS 3 HB2 CYS 3 -10.228 0.064 6.213 26 2HB CYS 3 HB1 CYS 3 -10.964 -0.664 7.637 27 H GLU 4 HN GLU 4 -8.621 -2.263 4.856 28 HA GLU 4 HA GLU 4 -6.092 -0.801 4.499 29 1HB GLU 4 HB2 GLU 4 -7.077 -3.284 3.079 30 2HB GLU 4 HB1 GLU 4 -5.556 -2.468 2.754 31 1HG GLU 4 HG2 GLU 4 -4.833 -2.951 5.060 32 2HG GLU 4 HG1 GLU 4 -6.338 -3.830 5.321 33 H HIS 5 HN HIS 5 -5.686 0.304 2.573 34 HA HIS 5 HA HIS 5 -7.885 0.568 0.663 35 1HB HIS 5 HB2 HIS 5 -6.651 2.911 2.124 36 2HB HIS 5 HB1 HIS 5 -7.694 3.061 0.717 37 HD1 HIS 5 HD1 HIS 5 -10.091 1.534 1.230 38 HD2 HIS 5 HD2 HIS 5 -8.070 3.387 4.350 39 HE1 HIS 5 HE1 HIS 5 -11.794 1.804 3.066 40 HE2 HIS 5 HE2 HIS 5 -10.574 3.034 4.898 41 H LEU 6 HN LEU 6 -7.270 1.037 -1.395 42 HA LEU 6 HA LEU 6 -4.434 0.809 -1.990 43 1HB LEU 6 HB2 LEU 6 -5.980 -0.599 -3.198 44 2HB LEU 6 HB1 LEU 6 -6.907 0.795 -3.726 45 HG LEU 6 HG LEU 6 -4.078 0.167 -4.581 46 1HD1 LEU 6 HD11 LEU 6 -6.100 0.075 -6.626 47 2HD1 LEU 6 HD12 LEU 6 -6.473 -1.058 -5.328 48 3HD1 LEU 6 HD13 LEU 6 -4.921 -1.149 -6.157 49 1HD2 LEU 6 HD21 LEU 6 -5.186 1.832 -6.442 50 2HD2 LEU 6 HD22 LEU 6 -4.104 2.341 -5.147 51 3HD2 LEU 6 HD23 LEU 6 -5.850 2.472 -4.940 52 H ALA 7 HN ALA 7 -3.173 2.499 -2.424 53 HA ALA 7 HA ALA 7 -4.315 5.150 -2.580 54 1HB ALA 7 HB1 ALA 7 -1.456 4.202 -2.527 55 2HB ALA 7 HB2 ALA 7 -2.395 4.838 -1.178 56 3HB ALA 7 HB3 ALA 7 -1.949 5.896 -2.518 57 H ASP 8 HN ASP 8 -4.713 6.264 -4.349 58 HA ASP 8 HA ASP 8 -4.216 5.200 -6.946 59 1HB ASP 8 HB2 ASP 8 -5.280 7.316 -7.730 60 2HB ASP 8 HB1 ASP 8 -6.240 6.434 -6.548 61 H THR 9 HN THR 9 -2.185 6.926 -4.902 62 HA THR 9 HA THR 9 -0.715 8.111 -7.157 63 HB THR 9 HB THR 9 -1.287 9.696 -5.360 64 HG1 THR 9 HG1 THR 9 0.585 10.609 -5.618 65 1HG2 THR 9 HG21 THR 9 -1.162 9.196 -3.210 66 2HG2 THR 9 HG22 THR 9 0.576 8.946 -3.361 67 3HG2 THR 9 HG23 THR 9 -0.533 7.599 -3.612 68 H TYR 10 HN TYR 10 -0.378 5.597 -7.331 69 HA TYR 10 HA TYR 10 2.061 4.848 -5.862 70 1HB TYR 10 HB2 TYR 10 0.120 3.327 -5.588 71 2HB TYR 10 HB1 TYR 10 0.062 3.089 -7.330 72 HD1 TYR 10 HD1 TYR 10 0.575 0.849 -7.704 73 HD2 TYR 10 HD2 TYR 10 2.974 3.080 -4.985 74 HE1 TYR 10 HE1 TYR 10 2.131 -1.047 -7.521 75 HE2 TYR 10 HE2 TYR 10 4.526 1.180 -4.794 76 HH TYR 10 HH TYR 10 3.974 -1.701 -5.347 77 H ARG 11 HN ARG 11 3.105 2.958 -7.662 78 HA ARG 11 HA ARG 11 3.896 4.668 -9.882 79 1HB ARG 11 HB2 ARG 11 5.321 2.227 -8.833 80 2HB ARG 11 HB1 ARG 11 5.985 3.523 -9.819 81 1HG ARG 11 HG2 ARG 11 5.685 5.072 -7.906 82 2HG ARG 11 HG1 ARG 11 5.125 3.711 -6.930 83 1HD ARG 11 HD2 ARG 11 7.814 3.814 -8.299 84 2HD ARG 11 HD1 ARG 11 7.543 4.306 -6.626 85 HE ARG 11 HE ARG 11 6.532 1.754 -6.797 86 1HH1 ARG 11 HH11 ARG 11 9.616 3.233 -7.422 87 2HH1 ARG 11 HH12 ARG 11 10.519 1.838 -6.950 88 1HH2 ARG 11 HH21 ARG 11 7.708 -0.067 -6.149 89 2HH2 ARG 11 HH22 ARG 11 9.448 -0.023 -6.234 90 H GLY 12 HN GLY 12 1.450 3.119 -10.013 91 1HA GLY 12 HA2 GLY 12 0.381 1.924 -11.681 92 2HA GLY 12 HA1 GLY 12 1.938 1.719 -12.477 93 H VAL 13 HN VAL 13 3.009 -0.168 -12.272 94 HA VAL 13 HA VAL 13 1.611 -2.361 -10.950 95 HB VAL 13 HB VAL 13 4.018 -2.408 -12.786 96 1HG1 VAL 13 HG11 VAL 13 2.363 -4.610 -11.586 97 2HG1 VAL 13 HG12 VAL 13 4.113 -4.394 -11.527 98 3HG1 VAL 13 HG13 VAL 13 3.329 -4.837 -13.043 99 1HG2 VAL 13 HG21 VAL 13 1.209 -3.234 -13.466 100 2HG2 VAL 13 HG22 VAL 13 2.568 -2.959 -14.556 101 3HG2 VAL 13 HG23 VAL 13 1.805 -1.597 -13.737 102 H CYS 14 HN CYS 14 2.819 -3.994 -9.731 103 HA CYS 14 HA CYS 14 4.966 -2.804 -8.096 104 1HB CYS 14 HB2 CYS 14 3.066 -3.238 -6.703 105 2HB CYS 14 HB1 CYS 14 2.869 -4.858 -7.375 106 H PHE 15 HN PHE 15 6.726 -4.107 -7.463 107 HA PHE 15 HA PHE 15 7.086 -6.585 -9.009 108 1HB PHE 15 HB2 PHE 15 9.191 -4.484 -8.451 109 2HB PHE 15 HB1 PHE 15 9.489 -6.036 -9.231 110 HD1 PHE 15 HD1 PHE 15 7.208 -3.097 -9.619 111 HD2 PHE 15 HD2 PHE 15 9.630 -6.041 -11.506 112 HE1 PHE 15 HE1 PHE 15 6.697 -2.104 -11.810 113 HE2 PHE 15 HE2 PHE 15 9.129 -5.051 -13.702 114 HZ PHE 15 HZ PHE 15 7.661 -3.079 -13.855 115 H THR 16 HN THR 16 8.057 -4.789 -6.100 116 HA THR 16 HA THR 16 8.488 -7.363 -4.739 117 HB THR 16 HB THR 16 10.412 -6.415 -3.538 118 HG1 THR 16 HG1 THR 16 10.331 -4.219 -5.314 119 1HG2 THR 16 HG21 THR 16 11.257 -5.765 -6.265 120 2HG2 THR 16 HG22 THR 16 10.500 -7.346 -6.074 121 3HG2 THR 16 HG23 THR 16 11.916 -6.921 -5.111 122 H ASN 17 HN ASN 17 7.896 -7.449 -2.566 123 HA ASN 17 HA ASN 17 5.713 -6.092 -1.674 124 1HB ASN 17 HB2 ASN 17 7.961 -7.172 0.047 125 2HB ASN 17 HB1 ASN 17 6.319 -6.844 0.590 126 1HD2 ASN 17 HD21 ASN 17 5.150 -8.613 0.786 127 2HD2 ASN 17 HD22 ASN 17 5.272 -10.025 -0.201 128 H ALA 18 HN ALA 18 9.089 -5.102 -1.241 129 HA ALA 18 HA ALA 18 8.753 -3.018 0.579 130 1HB ALA 18 HB1 ALA 18 10.819 -2.096 -0.865 131 2HB ALA 18 HB2 ALA 18 10.797 -3.771 -1.416 132 3HB ALA 18 HB3 ALA 18 10.961 -3.410 0.303 133 H SER 19 HN SER 19 8.110 -3.100 -2.867 134 HA SER 19 HA SER 19 8.154 -0.396 -3.484 135 1HB SER 19 HB2 SER 19 7.895 -2.248 -5.124 136 2HB SER 19 HB1 SER 19 6.219 -2.434 -4.608 137 HG SER 19 HG SER 19 5.710 -0.841 -5.884 138 H CYS 20 HN CYS 20 5.586 -2.218 -1.849 139 HA CYS 20 HA CYS 20 3.787 0.062 -1.922 140 1HB CYS 20 HB2 CYS 20 3.544 -2.654 -0.651 141 2HB CYS 20 HB1 CYS 20 2.302 -1.414 -0.540 142 H ASP 21 HN ASP 21 5.668 -1.713 0.510 143 HA ASP 21 HA ASP 21 4.800 -0.446 2.807 144 1HB ASP 21 HB2 ASP 21 6.427 -2.389 2.623 145 2HB ASP 21 HB1 ASP 21 7.683 -1.199 2.289 146 H ASP 22 HN ASP 22 7.777 0.445 1.020 147 HA ASP 22 HA ASP 22 8.337 2.871 2.263 148 1HB ASP 22 HB2 ASP 22 9.792 1.683 0.582 149 2HB ASP 22 HB1 ASP 22 8.715 2.249 -0.687 150 H HIS 23 HN HIS 23 6.505 2.257 -0.669 151 HA HIS 23 HA HIS 23 5.579 4.760 -1.332 152 1HB HIS 23 HB2 HIS 23 5.220 2.913 -2.780 153 2HB HIS 23 HB1 HIS 23 4.376 2.007 -1.551 154 HD1 HIS 23 HD1 HIS 23 3.576 5.520 -2.672 155 HD2 HIS 23 HD2 HIS 23 2.040 1.711 -2.857 156 HE1 HIS 23 HE1 HIS 23 1.232 5.777 -3.564 157 HE2 HIS 23 HE2 HIS 23 0.263 3.463 -3.514 158 H CYS 24 HN CYS 24 3.737 2.378 0.581 159 HA CYS 24 HA CYS 24 1.699 4.089 1.394 160 1HB CYS 24 HB2 CYS 24 2.881 1.653 2.705 161 2HB CYS 24 HB1 CYS 24 1.528 2.526 3.414 162 H LYS 25 HN LYS 25 4.689 3.292 3.202 163 HA LYS 25 HA LYS 25 4.180 4.931 5.396 164 1HB LYS 25 HB2 LYS 25 6.833 4.143 4.192 165 2HB LYS 25 HB1 LYS 25 6.645 4.893 5.772 166 1HG LYS 25 HG2 LYS 25 5.256 2.968 6.473 167 2HG LYS 25 HG1 LYS 25 5.574 2.211 4.912 168 1HD LYS 25 HD2 LYS 25 7.961 2.164 5.389 169 2HD LYS 25 HD1 LYS 25 7.688 2.994 6.923 170 1HE LYS 25 HE2 LYS 25 6.581 0.289 6.186 171 2HE LYS 25 HE1 LYS 25 8.004 0.559 7.189 172 1HZ LYS 25 HZ1 LYS 25 6.731 0.952 8.962 173 2HZ LYS 25 HZ2 LYS 25 5.405 0.357 8.079 174 3HZ LYS 25 HZ3 LYS 25 5.727 2.026 8.124 175 H ASN 26 HN ASN 26 5.806 5.753 2.352 176 HA ASN 26 HA ASN 26 6.345 8.444 3.211 177 1HB ASN 26 HB2 ASN 26 6.683 7.021 0.579 178 2HB ASN 26 HB1 ASN 26 7.087 8.708 0.795 179 1HD2 ASN 26 HD21 ASN 26 8.421 5.946 0.498 180 2HD2 ASN 26 HD22 ASN 26 9.789 6.121 1.531 181 H LYS 27 HN LYS 27 3.969 6.955 1.006 182 HA LYS 27 HA LYS 27 2.885 9.499 0.227 183 1HB LYS 27 HB2 LYS 27 1.763 6.710 -0.099 184 2HB LYS 27 HB1 LYS 27 1.089 8.156 -0.839 185 1HG LYS 27 HG2 LYS 27 3.835 7.032 -1.341 186 2HG LYS 27 HG1 LYS 27 2.439 6.883 -2.416 187 1HD LYS 27 HD2 LYS 27 2.383 9.335 -2.650 188 2HD LYS 27 HD1 LYS 27 3.779 9.467 -1.581 189 1HE LYS 27 HE2 LYS 27 4.568 9.659 -3.819 190 2HE LYS 27 HE1 LYS 27 5.059 8.077 -3.216 191 1HZ LYS 27 HZ1 LYS 27 2.504 7.964 -4.521 192 2HZ LYS 27 HZ2 LYS 27 3.914 7.074 -4.826 193 3HZ LYS 27 HZ3 LYS 27 3.703 8.590 -5.543 194 H ALA 28 HN ALA 28 1.557 6.853 2.230 195 HA ALA 28 HA ALA 28 -0.041 8.877 3.651 196 1HB ALA 28 HB1 ALA 28 -0.927 6.189 2.636 197 2HB ALA 28 HB2 ALA 28 -1.633 7.773 2.313 198 3HB ALA 28 HB3 ALA 28 -1.788 7.047 3.913 199 H HIS 29 HN HIS 29 1.667 8.896 5.131 200 HA HIS 29 HA HIS 29 3.110 7.254 6.511 201 1HB HIS 29 HB2 HIS 29 2.914 9.646 7.009 202 2HB HIS 29 HB1 HIS 29 1.388 9.352 7.841 203 HD1 HIS 29 HD1 HIS 29 4.935 7.968 8.151 204 HD2 HIS 29 HD2 HIS 29 1.776 9.302 10.501 205 HE1 HIS 29 HE1 HIS 29 5.747 7.802 10.531 206 HE2 HIS 29 HE2 HIS 29 3.852 8.710 11.926 207 H LEU 30 HN LEU 30 2.038 5.233 6.314 208 HA LEU 30 HA LEU 30 0.324 4.595 8.627 209 1HB LEU 30 HB2 LEU 30 0.212 3.663 5.823 210 2HB LEU 30 HB1 LEU 30 -0.099 2.455 7.054 211 HG LEU 30 HG LEU 30 -1.972 3.720 7.904 212 1HD1 LEU 30 HD11 LEU 30 -2.666 5.800 7.161 213 2HD1 LEU 30 HD12 LEU 30 -1.656 5.737 5.718 214 3HD1 LEU 30 HD13 LEU 30 -0.918 5.976 7.302 215 1HD2 LEU 30 HD21 LEU 30 -1.850 2.456 5.458 216 2HD2 LEU 30 HD22 LEU 30 -2.709 3.957 5.113 217 3HD2 LEU 30 HD23 LEU 30 -3.310 2.859 6.355 218 H ILE 31 HN ILE 31 0.440 2.062 8.988 219 HA ILE 31 HA ILE 31 3.053 1.589 9.993 220 HB ILE 31 HB ILE 31 2.129 -0.528 10.839 221 1HG1 ILE 31 HG12 ILE 31 -0.401 0.421 9.493 222 2HG1 ILE 31 HG11 ILE 31 0.550 -1.000 9.068 223 1HG2 ILE 31 HG21 ILE 31 1.979 1.246 12.336 224 2HG2 ILE 31 HG22 ILE 31 0.332 0.619 12.274 225 3HG2 ILE 31 HG23 ILE 31 0.756 2.076 11.375 226 1HD1 ILE 31 HD11 ILE 31 -1.025 -2.018 10.319 227 2HD1 ILE 31 HD12 ILE 31 -1.349 -0.578 11.281 228 3HD1 ILE 31 HD13 ILE 31 0.068 -1.569 11.626 229 H SER 32 HN SER 32 1.150 -0.031 7.437 230 HA SER 32 HA SER 32 3.629 -0.840 6.168 231 1HB SER 32 HB2 SER 32 3.312 -2.658 7.772 232 2HB SER 32 HB1 SER 32 1.681 -2.936 7.159 233 HG SER 32 HG SER 32 4.163 -3.433 5.905 234 H GLY 33 HN GLY 33 3.129 -2.245 4.154 235 1HA GLY 33 HA2 GLY 33 0.535 -1.960 2.948 236 2HA GLY 33 HA1 GLY 33 1.697 -0.807 2.300 237 H THR 34 HN THR 34 0.338 -3.740 1.767 238 HA THR 34 HA THR 34 2.742 -4.849 0.473 239 HB THR 34 HB THR 34 1.746 -6.379 2.051 240 HG1 THR 34 HG1 THR 34 0.813 -7.670 -0.161 241 1HG2 THR 34 HG21 THR 34 -0.624 -7.270 0.998 242 2HG2 THR 34 HG22 THR 34 -0.768 -5.516 0.879 243 3HG2 THR 34 HG23 THR 34 -0.437 -6.271 2.438 244 H CYS 35 HN CYS 35 2.195 -6.213 -1.523 245 HA CYS 35 HA CYS 35 0.695 -4.480 -3.346 246 1HB CYS 35 HB2 CYS 35 2.664 -6.709 -3.912 247 2HB CYS 35 HB1 CYS 35 1.846 -5.755 -5.150 248 H HIS 36 HN HIS 36 -1.125 -5.051 -4.329 249 HA HIS 36 HA HIS 36 -2.047 -7.840 -4.047 250 1HB HIS 36 HB2 HIS 36 -3.640 -5.283 -3.852 251 2HB HIS 36 HB1 HIS 36 -4.379 -6.868 -4.037 252 HD1 HIS 36 HD1 HIS 36 -3.518 -8.635 -2.062 253 HD2 HIS 36 HD2 HIS 36 -3.348 -4.571 -1.272 254 HE1 HIS 36 HE1 HIS 36 -3.395 -8.445 0.440 255 HE2 HIS 36 HE2 HIS 36 -3.506 -5.971 0.904 256 H ASN 37 HN ASN 37 -2.201 -8.838 -5.910 257 HA ASN 37 HA ASN 37 -2.465 -9.316 -8.105 258 1HB ASN 37 HB2 ASN 37 -4.715 -8.239 -7.639 259 2HB ASN 37 HB1 ASN 37 -4.056 -6.741 -8.284 260 1HD2 ASN 37 HD21 ASN 37 -2.765 -9.381 -9.944 261 2HD2 ASN 37 HD22 ASN 37 -3.852 -9.372 -11.277 262 H TRP 38 HN TRP 38 -2.465 -5.785 -8.339 263 HA TRP 38 HA TRP 38 0.270 -5.739 -9.325 264 1HB TRP 38 HB2 TRP 38 -1.971 -4.601 -11.014 265 2HB TRP 38 HB1 TRP 38 -0.261 -4.540 -11.387 266 HD1 TRP 38 HD1 TRP 38 -3.294 -6.635 -11.756 267 HE1 TRP 38 HE1 TRP 38 -2.761 -8.752 -13.131 268 HE3 TRP 38 HE3 TRP 38 1.799 -6.316 -11.770 269 HZ2 TRP 38 HZ2 TRP 38 -0.478 -10.104 -14.075 270 HZ3 TRP 38 HZ3 TRP 38 3.088 -8.063 -12.929 271 HH2 TRP 38 HH2 TRP 38 1.971 -9.920 -14.057 272 H LYS 39 HN LYS 39 -1.733 -4.505 -7.161 273 HA LYS 39 HA LYS 39 -0.674 -1.764 -7.447 274 1HB LYS 39 HB2 LYS 39 -3.455 -2.544 -6.583 275 2HB LYS 39 HB1 LYS 39 -2.803 -0.914 -6.495 276 1HG LYS 39 HG2 LYS 39 -2.596 -0.808 -8.881 277 2HG LYS 39 HG1 LYS 39 -3.080 -2.500 -9.036 278 1HD LYS 39 HD2 LYS 39 -5.267 -1.954 -8.071 279 2HD LYS 39 HD1 LYS 39 -4.780 -0.264 -7.936 280 1HE LYS 39 HE2 LYS 39 -4.558 -0.116 -10.355 281 2HE LYS 39 HE1 LYS 39 -4.981 -1.824 -10.509 282 1HZ LYS 39 HZ1 LYS 39 -7.167 -1.422 -10.067 283 2HZ LYS 39 HZ2 LYS 39 -6.781 0.068 -10.769 284 3HZ LYS 39 HZ3 LYS 39 -6.859 -0.078 -9.085 285 H CYS 40 HN CYS 40 -1.308 -0.508 -5.253 286 HA CYS 40 HA CYS 40 -0.259 -2.153 -3.059 287 1HB CYS 40 HB2 CYS 40 0.196 0.747 -3.749 288 2HB CYS 40 HB1 CYS 40 0.538 0.083 -2.154 289 H PHE 41 HN PHE 41 -1.277 -2.234 -1.200 290 HA PHE 41 HA PHE 41 -3.513 -0.380 -0.718 291 1HB PHE 41 HB2 PHE 41 -3.370 -3.320 0.009 292 2HB PHE 41 HB1 PHE 41 -4.649 -2.218 0.510 293 HD1 PHE 41 HD1 PHE 41 -6.578 -2.909 -0.515 294 HD2 PHE 41 HD2 PHE 41 -3.010 -2.715 -2.822 295 HE1 PHE 41 HE1 PHE 41 -7.852 -3.489 -2.533 296 HE2 PHE 41 HE2 PHE 41 -4.278 -3.286 -4.845 297 HZ PHE 41 HZ PHE 41 -6.704 -3.672 -4.706 298 H CYS 42 HN CYS 42 -3.441 0.628 1.245 299 HA CYS 42 HA CYS 42 -1.187 -0.122 2.983 300 1HB CYS 42 HB2 CYS 42 -2.722 2.487 2.844 301 2HB CYS 42 HB1 CYS 42 -1.250 2.179 3.752 302 H THR 43 HN THR 43 -1.499 -0.382 5.211 303 HA THR 43 HA THR 43 -4.310 -0.721 6.041 304 HB THR 43 HB THR 43 -3.145 -2.805 6.152 305 HG1 THR 43 HG1 THR 43 -2.918 -2.270 8.837 306 1HG2 THR 43 HG21 THR 43 -1.002 -1.293 7.598 307 2HG2 THR 43 HG22 THR 43 -0.864 -2.324 6.173 308 3HG2 THR 43 HG23 THR 43 -1.180 -3.040 7.754 309 H GLN 44 HN GLN 44 -5.124 0.315 7.735 310 HA GLN 44 HA GLN 44 -3.342 1.782 9.541 311 1HB GLN 44 HB2 GLN 44 -3.979 3.397 7.848 312 2HB GLN 44 HB1 GLN 44 -5.676 2.971 8.035 313 1HG GLN 44 HG2 GLN 44 -5.612 3.825 10.340 314 2HG GLN 44 HG1 GLN 44 -3.930 4.285 10.110 315 1HE2 GLN 44 HE21 GLN 44 -5.383 4.831 7.203 316 2HE2 GLN 44 HE22 GLN 44 -5.824 6.481 7.422 317 H ASN 45 HN ASN 45 -4.135 2.071 11.617 318 HA ASN 45 HA ASN 45 -6.051 0.220 12.555 319 1HB ASN 45 HB2 ASN 45 -4.833 2.653 13.882 320 2HB ASN 45 HB1 ASN 45 -5.783 1.428 14.719 321 1HD2 ASN 45 HD21 ASN 45 -2.735 2.413 14.023 322 2HD2 ASN 45 HD22 ASN 45 -1.896 0.925 14.268 323 H CYS 46 HN CYS 46 -8.216 0.359 12.517 324 HA CYS 46 HA CYS 46 -9.512 2.948 12.872 325 1HB CYS 46 HB2 CYS 46 -11.027 2.579 10.949 326 2HB CYS 46 HB1 CYS 46 -9.356 2.759 10.434 Start of MODEL 5 1 1H LYS 1 HT1 LYS 1 -9.454 -4.495 14.824 2 2H LYS 1 HT2 LYS 1 -10.990 -4.990 14.321 3 3H LYS 1 HT3 LYS 1 -10.428 -3.442 13.916 4 HA LYS 1 HA LYS 1 -8.871 -5.781 13.052 5 1HB LYS 1 HB2 LYS 1 -10.285 -5.854 10.964 6 2HB LYS 1 HB1 LYS 1 -11.076 -6.457 12.410 7 1HG LYS 1 HG2 LYS 1 -12.275 -4.328 12.638 8 2HG LYS 1 HG1 LYS 1 -11.488 -3.742 11.168 9 1HD LYS 1 HD2 LYS 1 -12.568 -5.432 9.842 10 2HD LYS 1 HD1 LYS 1 -13.191 -6.235 11.282 11 1HE LYS 1 HE2 LYS 1 -14.954 -4.973 10.209 12 2HE LYS 1 HE1 LYS 1 -14.564 -4.264 11.776 13 1HZ LYS 1 HZ1 LYS 1 -12.950 -2.887 10.093 14 2HZ LYS 1 HZ2 LYS 1 -14.460 -2.355 10.636 15 3HZ LYS 1 HZ3 LYS 1 -14.325 -3.121 9.134 16 H THR 2 HN THR 2 -8.606 -5.067 10.404 17 HA THR 2 HA THR 2 -7.676 -2.274 10.520 18 HB THR 2 HB THR 2 -5.668 -2.882 9.252 19 HG1 THR 2 HG1 THR 2 -6.107 -5.608 9.718 20 1HG2 THR 2 HG21 THR 2 -5.956 -3.279 11.915 21 2HG2 THR 2 HG22 THR 2 -4.436 -3.423 11.035 22 3HG2 THR 2 HG23 THR 2 -5.387 -4.864 11.389 23 H CYS 3 HN CYS 3 -7.649 -1.138 8.544 24 HA CYS 3 HA CYS 3 -9.260 -2.418 6.429 25 1HB CYS 3 HB2 CYS 3 -9.247 0.469 7.323 26 2HB CYS 3 HB1 CYS 3 -10.052 -0.101 5.864 27 H GLU 4 HN GLU 4 -8.649 -2.204 4.332 28 HA GLU 4 HA GLU 4 -6.018 -0.971 3.880 29 1HB GLU 4 HB2 GLU 4 -7.327 -3.354 2.593 30 2HB GLU 4 HB1 GLU 4 -5.952 -2.537 1.862 31 1HG GLU 4 HG2 GLU 4 -4.643 -2.976 3.905 32 2HG GLU 4 HG1 GLU 4 -6.017 -3.864 4.565 33 H HIS 5 HN HIS 5 -5.687 0.415 2.238 34 HA HIS 5 HA HIS 5 -7.861 0.950 0.355 35 1HB HIS 5 HB2 HIS 5 -6.557 3.085 2.059 36 2HB HIS 5 HB1 HIS 5 -7.666 3.391 0.728 37 HD1 HIS 5 HD1 HIS 5 -10.042 1.820 1.182 38 HD2 HIS 5 HD2 HIS 5 -7.871 3.320 4.389 39 HE1 HIS 5 HE1 HIS 5 -11.652 1.869 3.116 40 HE2 HIS 5 HE2 HIS 5 -10.357 2.939 4.996 41 H LEU 6 HN LEU 6 -7.218 1.711 -1.621 42 HA LEU 6 HA LEU 6 -4.366 1.529 -2.216 43 1HB LEU 6 HB2 LEU 6 -5.900 0.259 -3.597 44 2HB LEU 6 HB1 LEU 6 -6.825 1.703 -3.972 45 HG LEU 6 HG LEU 6 -5.416 0.924 -5.845 46 1HD1 LEU 6 HD11 LEU 6 -4.920 3.011 -6.575 47 2HD1 LEU 6 HD12 LEU 6 -4.183 3.499 -5.051 48 3HD1 LEU 6 HD13 LEU 6 -5.940 3.433 -5.200 49 1HD2 LEU 6 HD21 LEU 6 -3.106 0.819 -5.773 50 2HD2 LEU 6 HD22 LEU 6 -3.571 0.166 -4.202 51 3HD2 LEU 6 HD23 LEU 6 -3.003 1.830 -4.333 52 H ALA 7 HN ALA 7 -3.118 3.302 -2.383 53 HA ALA 7 HA ALA 7 -4.333 5.915 -2.236 54 1HB ALA 7 HB1 ALA 7 -1.464 5.935 -2.671 55 2HB ALA 7 HB2 ALA 7 -1.938 4.861 -1.356 56 3HB ALA 7 HB3 ALA 7 -2.410 6.560 -1.320 57 H ASP 8 HN ASP 8 -4.681 7.321 -3.817 58 HA ASP 8 HA ASP 8 -4.136 6.571 -6.548 59 1HB ASP 8 HB2 ASP 8 -5.570 8.949 -5.354 60 2HB ASP 8 HB1 ASP 8 -5.471 8.616 -7.078 61 H THR 9 HN THR 9 -1.762 7.230 -5.004 62 HA THR 9 HA THR 9 -0.826 9.590 -6.507 63 HB THR 9 HB THR 9 -0.789 10.141 -4.179 64 HG1 THR 9 HG1 THR 9 1.044 10.885 -5.147 65 1HG2 THR 9 HG21 THR 9 0.925 7.748 -3.622 66 2HG2 THR 9 HG22 THR 9 -0.804 7.821 -3.288 67 3HG2 THR 9 HG23 THR 9 0.301 8.926 -2.472 68 H TYR 10 HN TYR 10 -0.065 6.350 -5.383 69 HA TYR 10 HA TYR 10 1.964 6.128 -7.501 70 1HB TYR 10 HB2 TYR 10 3.315 6.166 -5.593 71 2HB TYR 10 HB1 TYR 10 2.164 5.229 -4.652 72 HD1 TYR 10 HD1 TYR 10 4.317 4.915 -7.683 73 HD2 TYR 10 HD2 TYR 10 2.561 2.965 -4.338 74 HE1 TYR 10 HE1 TYR 10 5.556 2.861 -8.234 75 HE2 TYR 10 HE2 TYR 10 3.810 0.922 -4.863 76 HH TYR 10 HH TYR 10 6.377 0.859 -7.036 77 H ARG 11 HN ARG 11 1.188 4.710 -8.964 78 HA ARG 11 HA ARG 11 0.144 2.174 -7.983 79 1HB ARG 11 HB2 ARG 11 -1.440 3.985 -9.802 80 2HB ARG 11 HB1 ARG 11 -1.878 2.330 -9.398 81 1HG ARG 11 HG2 ARG 11 -2.150 2.922 -7.062 82 2HG ARG 11 HG1 ARG 11 -1.597 4.567 -7.381 83 1HD ARG 11 HD2 ARG 11 -4.080 3.275 -8.534 84 2HD ARG 11 HD1 ARG 11 -4.046 4.451 -7.218 85 HE ARG 11 HE ARG 11 -2.770 5.570 -9.463 86 1HH1 ARG 11 HH11 ARG 11 -5.954 4.632 -8.423 87 2HH1 ARG 11 HH12 ARG 11 -6.759 5.785 -9.423 88 1HH2 ARG 11 HH21 ARG 11 -3.834 7.074 -10.789 89 2HH2 ARG 11 HH22 ARG 11 -5.561 7.162 -10.777 90 H GLY 12 HN GLY 12 1.790 1.012 -8.890 91 1HA GLY 12 HA2 GLY 12 1.734 0.835 -11.827 92 2HA GLY 12 HA1 GLY 12 3.284 1.053 -11.022 93 H VAL 13 HN VAL 13 3.525 -1.048 -12.364 94 HA VAL 13 HA VAL 13 2.307 -3.430 -11.385 95 HB VAL 13 HB VAL 13 4.927 -3.196 -12.879 96 1HG1 VAL 13 HG11 VAL 13 3.123 -5.476 -12.184 97 2HG1 VAL 13 HG12 VAL 13 4.882 -5.375 -12.115 98 3HG1 VAL 13 HG13 VAL 13 4.069 -5.534 -13.673 99 1HG2 VAL 13 HG21 VAL 13 2.090 -3.283 -13.855 100 2HG2 VAL 13 HG22 VAL 13 3.433 -3.820 -14.863 101 3HG2 VAL 13 HG23 VAL 13 3.372 -2.154 -14.288 102 H CYS 14 HN CYS 14 2.745 -4.499 -9.520 103 HA CYS 14 HA CYS 14 5.125 -3.701 -8.024 104 1HB CYS 14 HB2 CYS 14 3.166 -3.793 -6.680 105 2HB CYS 14 HB1 CYS 14 2.771 -5.423 -7.250 106 H PHE 15 HN PHE 15 6.763 -5.020 -7.379 107 HA PHE 15 HA PHE 15 6.909 -7.689 -8.613 108 1HB PHE 15 HB2 PHE 15 9.159 -5.683 -8.328 109 2HB PHE 15 HB1 PHE 15 9.342 -7.330 -8.927 110 HD1 PHE 15 HD1 PHE 15 9.410 -7.623 -11.193 111 HD2 PHE 15 HD2 PHE 15 7.290 -4.279 -9.633 112 HE1 PHE 15 HE1 PHE 15 8.961 -6.839 -13.483 113 HE2 PHE 15 HE2 PHE 15 6.834 -3.495 -11.916 114 HZ PHE 15 HZ PHE 15 7.668 -4.775 -13.846 115 H THR 16 HN THR 16 7.991 -5.620 -5.945 116 HA THR 16 HA THR 16 8.302 -8.026 -4.277 117 HB THR 16 HB THR 16 10.243 -7.051 -3.167 118 HG1 THR 16 HG1 THR 16 10.176 -4.968 -5.087 119 1HG2 THR 16 HG21 THR 16 11.180 -6.616 -5.902 120 2HG2 THR 16 HG22 THR 16 10.344 -8.148 -5.647 121 3HG2 THR 16 HG23 THR 16 11.751 -7.734 -4.666 122 H ASN 17 HN ASN 17 7.880 -7.699 -2.031 123 HA ASN 17 HA ASN 17 5.652 -6.124 -1.454 124 1HB ASN 17 HB2 ASN 17 7.660 -7.375 0.432 125 2HB ASN 17 HB1 ASN 17 6.079 -6.763 0.905 126 1HD2 ASN 17 HD21 ASN 17 7.701 -9.505 0.256 127 2HD2 ASN 17 HD22 ASN 17 6.400 -10.501 -0.290 128 H ALA 18 HN ALA 18 9.019 -5.243 -1.353 129 HA ALA 18 HA ALA 18 8.822 -3.117 0.523 130 1HB ALA 18 HB1 ALA 18 11.040 -2.522 -0.164 131 2HB ALA 18 HB2 ALA 18 10.883 -3.457 -1.651 132 3HB ALA 18 HB3 ALA 18 10.933 -4.281 -0.092 133 H SER 19 HN SER 19 7.829 -3.307 -2.784 134 HA SER 19 HA SER 19 8.267 -0.595 -3.517 135 1HB SER 19 HB2 SER 19 6.765 -1.025 -5.387 136 2HB SER 19 HB1 SER 19 7.837 -2.406 -5.157 137 HG SER 19 HG SER 19 5.135 -2.296 -5.022 138 H CYS 20 HN CYS 20 5.296 -2.225 -2.362 139 HA CYS 20 HA CYS 20 3.786 0.198 -2.250 140 1HB CYS 20 HB2 CYS 20 3.290 -2.463 -0.921 141 2HB CYS 20 HB1 CYS 20 2.126 -1.152 -1.045 142 H ASP 21 HN ASP 21 5.535 -1.733 0.159 143 HA ASP 21 HA ASP 21 4.758 -0.446 2.482 144 1HB ASP 21 HB2 ASP 21 6.319 -2.406 2.375 145 2HB ASP 21 HB1 ASP 21 7.586 -1.307 1.831 146 H ASP 22 HN ASP 22 7.565 0.341 0.435 147 HA ASP 22 HA ASP 22 8.325 2.732 1.633 148 1HB ASP 22 HB2 ASP 22 9.635 1.564 -0.131 149 2HB ASP 22 HB1 ASP 22 8.442 2.059 -1.319 150 H HIS 23 HN HIS 23 6.145 2.190 -1.085 151 HA HIS 23 HA HIS 23 5.252 4.733 -1.642 152 1HB HIS 23 HB2 HIS 23 4.460 2.916 -2.958 153 2HB HIS 23 HB1 HIS 23 3.840 2.066 -1.566 154 HD1 HIS 23 HD1 HIS 23 3.143 5.545 -2.819 155 HD2 HIS 23 HD2 HIS 23 1.161 2.064 -1.960 156 HE1 HIS 23 HE1 HIS 23 0.698 6.070 -3.124 157 HE2 HIS 23 HE2 HIS 23 -0.461 3.874 -2.771 158 H CYS 24 HN CYS 24 3.819 2.481 0.679 159 HA CYS 24 HA CYS 24 1.977 4.250 1.801 160 1HB CYS 24 HB2 CYS 24 3.319 1.798 2.915 161 2HB CYS 24 HB1 CYS 24 2.094 2.694 3.811 162 H LYS 25 HN LYS 25 5.293 3.496 2.984 163 HA LYS 25 HA LYS 25 5.120 5.233 5.201 164 1HB LYS 25 HB2 LYS 25 7.526 5.072 5.381 165 2HB LYS 25 HB1 LYS 25 6.841 3.496 5.027 166 1HG LYS 25 HG2 LYS 25 7.529 3.729 2.696 167 2HG LYS 25 HG1 LYS 25 8.232 5.306 3.063 168 1HD LYS 25 HD2 LYS 25 9.721 4.209 4.718 169 2HD LYS 25 HD1 LYS 25 9.058 2.646 4.244 170 1HE LYS 25 HE2 LYS 25 9.885 3.019 1.950 171 2HE LYS 25 HE1 LYS 25 10.582 4.553 2.469 172 1HZ LYS 25 HZ1 LYS 25 12.390 3.439 3.078 173 2HZ LYS 25 HZ2 LYS 25 11.671 1.961 2.679 174 3HZ LYS 25 HZ3 LYS 25 11.486 2.596 4.237 175 H ASN 26 HN ASN 26 6.153 5.843 1.886 176 HA ASN 26 HA ASN 26 6.903 8.570 2.557 177 1HB ASN 26 HB2 ASN 26 7.141 6.865 0.110 178 2HB ASN 26 HB1 ASN 26 7.500 8.572 0.060 179 1HD2 ASN 26 HD21 ASN 26 8.733 5.673 0.454 180 2HD2 ASN 26 HD22 ASN 26 10.192 6.097 1.266 181 H LYS 27 HN LYS 27 4.175 6.990 0.966 182 HA LYS 27 HA LYS 27 3.217 9.602 0.025 183 1HB LYS 27 HB2 LYS 27 2.143 6.817 -0.406 184 2HB LYS 27 HB1 LYS 27 1.398 8.273 -1.042 185 1HG LYS 27 HG2 LYS 27 4.158 7.282 -1.696 186 2HG LYS 27 HG1 LYS 27 2.718 7.118 -2.714 187 1HD LYS 27 HD2 LYS 27 2.543 9.576 -2.825 188 2HD LYS 27 HD1 LYS 27 3.999 9.725 -1.833 189 1HE LYS 27 HE2 LYS 27 3.823 8.453 -4.575 190 2HE LYS 27 HE1 LYS 27 4.482 10.049 -4.213 191 1HZ LYS 27 HZ1 LYS 27 5.871 8.374 -2.552 192 2HZ LYS 27 HZ2 LYS 27 6.440 9.003 -4.017 193 3HZ LYS 27 HZ3 LYS 27 5.724 7.471 -3.975 194 H ALA 28 HN ALA 28 1.993 6.919 2.040 195 HA ALA 28 HA ALA 28 0.274 8.877 3.403 196 1HB ALA 28 HB1 ALA 28 -0.878 6.225 3.395 197 2HB ALA 28 HB2 ALA 28 -0.642 6.839 1.759 198 3HB ALA 28 HB3 ALA 28 -1.591 7.768 2.921 199 H HIS 29 HN HIS 29 1.847 9.009 4.968 200 HA HIS 29 HA HIS 29 3.296 7.332 6.413 201 1HB HIS 29 HB2 HIS 29 3.216 9.773 6.701 202 2HB HIS 29 HB1 HIS 29 1.697 9.621 7.571 203 HD1 HIS 29 HD1 HIS 29 2.158 7.643 9.685 204 HD2 HIS 29 HD2 HIS 29 5.123 10.282 8.471 205 HE1 HIS 29 HE1 HIS 29 3.759 7.802 11.633 206 HE2 HIS 29 HE2 HIS 29 5.463 9.519 10.921 207 H LEU 30 HN LEU 30 1.905 5.389 6.247 208 HA LEU 30 HA LEU 30 0.187 5.094 8.623 209 1HB LEU 30 HB2 LEU 30 0.091 3.841 5.924 210 2HB LEU 30 HB1 LEU 30 -0.467 2.887 7.287 211 HG LEU 30 HG LEU 30 -2.333 4.008 6.185 212 1HD1 LEU 30 HD11 LEU 30 -1.605 4.444 8.972 213 2HD1 LEU 30 HD12 LEU 30 -3.109 3.855 8.266 214 3HD1 LEU 30 HD13 LEU 30 -2.799 5.588 8.363 215 1HD2 LEU 30 HD21 LEU 30 -1.443 5.935 5.208 216 2HD2 LEU 30 HD22 LEU 30 -0.727 6.482 6.722 217 3HD2 LEU 30 HD23 LEU 30 -2.474 6.539 6.503 218 H ILE 31 HN ILE 31 0.209 2.300 8.889 219 HA ILE 31 HA ILE 31 2.762 1.988 10.159 220 HB ILE 31 HB ILE 31 1.838 -0.109 11.054 221 1HG1 ILE 31 HG12 ILE 31 -0.662 0.775 9.616 222 2HG1 ILE 31 HG11 ILE 31 0.317 -0.639 9.237 223 1HG2 ILE 31 HG21 ILE 31 -0.006 1.088 12.376 224 2HG2 ILE 31 HG22 ILE 31 0.448 2.508 11.434 225 3HG2 ILE 31 HG23 ILE 31 1.638 1.718 12.470 226 1HD1 ILE 31 HD11 ILE 31 -1.465 -0.158 11.586 227 2HD1 ILE 31 HD12 ILE 31 -0.188 -1.372 11.644 228 3HD1 ILE 31 HD13 ILE 31 -1.470 -1.499 10.440 229 H SER 32 HN SER 32 1.058 0.159 7.590 230 HA SER 32 HA SER 32 3.628 -0.602 6.513 231 1HB SER 32 HB2 SER 32 1.860 -2.723 7.752 232 2HB SER 32 HB1 SER 32 3.164 -3.078 6.620 233 HG SER 32 HG SER 32 3.942 -1.458 8.708 234 H GLY 33 HN GLY 33 3.554 -1.433 4.399 235 1HA GLY 33 HA2 GLY 33 0.855 -1.505 3.168 236 2HA GLY 33 HA1 GLY 33 2.168 -0.602 2.427 237 H THR 34 HN THR 34 0.435 -3.076 1.726 238 HA THR 34 HA THR 34 2.693 -4.745 0.799 239 HB THR 34 HB THR 34 1.513 -5.982 2.514 240 HG1 THR 34 HG1 THR 34 0.503 -7.624 0.841 241 1HG2 THR 34 HG21 THR 34 -0.999 -6.051 0.908 242 2HG2 THR 34 HG22 THR 34 -0.722 -4.751 2.071 243 3HG2 THR 34 HG23 THR 34 -0.736 -6.432 2.605 244 H CYS 35 HN CYS 35 2.119 -6.121 -1.139 245 HA CYS 35 HA CYS 35 0.779 -4.434 -3.121 246 1HB CYS 35 HB2 CYS 35 2.554 -6.863 -3.376 247 2HB CYS 35 HB1 CYS 35 1.751 -6.111 -4.756 248 H HIS 36 HN HIS 36 -1.129 -4.867 -4.021 249 HA HIS 36 HA HIS 36 -2.330 -7.516 -3.549 250 1HB HIS 36 HB2 HIS 36 -3.594 -4.794 -3.807 251 2HB HIS 36 HB1 HIS 36 -4.526 -6.277 -3.995 252 HD1 HIS 36 HD1 HIS 36 -4.342 -7.951 -1.819 253 HD2 HIS 36 HD2 HIS 36 -3.380 -3.954 -1.249 254 HE1 HIS 36 HE1 HIS 36 -4.412 -7.595 0.674 255 HE2 HIS 36 HE2 HIS 36 -3.705 -5.198 1.017 256 H ASN 37 HN ASN 37 -1.067 -8.214 -5.364 257 HA ASN 37 HA ASN 37 -0.975 -9.022 -7.482 258 1HB ASN 37 HB2 ASN 37 -3.504 -7.414 -7.935 259 2HB ASN 37 HB1 ASN 37 -2.812 -8.553 -9.089 260 1HD2 ASN 37 HD21 ASN 37 -5.109 -8.209 -6.773 261 2HD2 ASN 37 HD22 ASN 37 -5.322 -9.867 -6.340 262 H TRP 38 HN TRP 38 -2.312 -5.806 -8.179 263 HA TRP 38 HA TRP 38 0.323 -4.982 -9.177 264 1HB TRP 38 HB2 TRP 38 -2.254 -4.536 -10.678 265 2HB TRP 38 HB1 TRP 38 -0.660 -4.042 -11.187 266 HD1 TRP 38 HD1 TRP 38 -2.253 -7.388 -10.232 267 HE1 TRP 38 HE1 TRP 38 -1.516 -9.161 -11.960 268 HE3 TRP 38 HE3 TRP 38 0.667 -4.431 -13.100 269 HZ2 TRP 38 HZ2 TRP 38 0.130 -9.248 -14.262 270 HZ3 TRP 38 HZ3 TRP 38 1.802 -5.399 -15.062 271 HH2 TRP 38 HH2 TRP 38 1.536 -7.763 -15.629 272 H LYS 39 HN LYS 39 -1.854 -4.277 -6.929 273 HA LYS 39 HA LYS 39 -1.574 -1.371 -7.303 274 1HB LYS 39 HB2 LYS 39 -3.895 -2.872 -6.071 275 2HB LYS 39 HB1 LYS 39 -3.734 -1.122 -6.095 276 1HG LYS 39 HG2 LYS 39 -3.829 -1.140 -8.525 277 2HG LYS 39 HG1 LYS 39 -3.952 -2.901 -8.510 278 1HD LYS 39 HD2 LYS 39 -6.049 -2.719 -7.222 279 2HD LYS 39 HD1 LYS 39 -5.931 -0.963 -7.311 280 1HE LYS 39 HE2 LYS 39 -7.478 -1.779 -8.982 281 2HE LYS 39 HE1 LYS 39 -6.052 -1.092 -9.763 282 1HZ LYS 39 HZ1 LYS 39 -6.201 -3.994 -9.218 283 2HZ LYS 39 HZ2 LYS 39 -5.288 -3.177 -10.384 284 3HZ LYS 39 HZ3 LYS 39 -6.960 -3.346 -10.587 285 H CYS 40 HN CYS 40 -1.212 -0.107 -5.398 286 HA CYS 40 HA CYS 40 -0.127 -1.694 -3.179 287 1HB CYS 40 HB2 CYS 40 0.540 1.052 -4.213 288 2HB CYS 40 HB1 CYS 40 1.029 0.504 -2.609 289 H PHE 41 HN PHE 41 -1.373 -1.903 -1.506 290 HA PHE 41 HA PHE 41 -3.148 0.315 -0.702 291 1HB PHE 41 HB2 PHE 41 -3.314 -2.640 -0.047 292 2HB PHE 41 HB1 PHE 41 -4.387 -1.413 0.612 293 HD1 PHE 41 HD1 PHE 41 -3.178 -2.180 -2.845 294 HD2 PHE 41 HD2 PHE 41 -6.488 -1.657 -0.225 295 HE1 PHE 41 HE1 PHE 41 -4.719 -2.578 -4.715 296 HE2 PHE 41 HE2 PHE 41 -8.036 -2.048 -2.096 297 HZ PHE 41 HZ PHE 41 -7.149 -2.513 -4.347 298 H CYS 42 HN CYS 42 -3.256 0.829 1.534 299 HA CYS 42 HA CYS 42 -0.848 0.045 3.019 300 1HB CYS 42 HB2 CYS 42 -2.498 2.584 3.166 301 2HB CYS 42 HB1 CYS 42 -1.127 2.211 4.201 302 H THR 43 HN THR 43 -1.185 0.098 5.452 303 HA THR 43 HA THR 43 -3.798 -1.082 6.092 304 HB THR 43 HB THR 43 -2.558 -2.034 8.068 305 HG1 THR 43 HG1 THR 43 -0.233 -1.325 6.628 306 1HG2 THR 43 HG21 THR 43 -0.981 -3.075 5.841 307 2HG2 THR 43 HG22 THR 43 -2.726 -3.075 5.577 308 3HG2 THR 43 HG23 THR 43 -2.044 -3.907 6.975 309 H GLN 44 HN GLN 44 -5.047 -0.254 7.652 310 HA GLN 44 HA GLN 44 -3.988 1.787 9.454 311 1HB GLN 44 HB2 GLN 44 -4.808 2.996 7.467 312 2HB GLN 44 HB1 GLN 44 -6.380 2.234 7.653 313 1HG GLN 44 HG2 GLN 44 -6.705 3.368 9.776 314 2HG GLN 44 HG1 GLN 44 -5.104 4.096 9.650 315 1HE2 GLN 44 HE21 GLN 44 -5.114 6.116 8.972 316 2HE2 GLN 44 HE22 GLN 44 -6.292 6.837 7.937 317 H ASN 45 HN ASN 45 -5.139 2.015 11.364 318 HA ASN 45 HA ASN 45 -6.554 -0.261 12.283 319 1HB ASN 45 HB2 ASN 45 -6.272 2.489 13.536 320 2HB ASN 45 HB1 ASN 45 -6.803 1.029 14.366 321 1HD2 ASN 45 HD21 ASN 45 -4.226 2.987 13.927 322 2HD2 ASN 45 HD22 ASN 45 -2.952 1.864 14.233 323 H CYS 46 HN CYS 46 -8.737 -0.625 12.621 324 HA CYS 46 HA CYS 46 -10.703 1.447 12.470 325 1HB CYS 46 HB2 CYS 46 -11.794 0.799 10.398 326 2HB CYS 46 HB1 CYS 46 -10.116 1.238 10.077 Start of MODEL 6 1 1H LYS 1 HT1 LYS 1 -9.043 -1.777 15.866 2 2H LYS 1 HT2 LYS 1 -7.897 -2.961 16.249 3 3H LYS 1 HT3 LYS 1 -9.541 -3.271 16.490 4 HA LYS 1 HA LYS 1 -8.406 -4.277 14.451 5 1HB LYS 1 HB2 LYS 1 -10.520 -3.863 13.109 6 2HB LYS 1 HB1 LYS 1 -10.762 -4.472 14.739 7 1HG LYS 1 HG2 LYS 1 -11.297 -2.197 15.496 8 2HG LYS 1 HG1 LYS 1 -11.077 -1.609 13.848 9 1HD LYS 1 HD2 LYS 1 -12.916 -2.970 13.068 10 2HD LYS 1 HD1 LYS 1 -13.093 -3.707 14.661 11 1HE LYS 1 HE2 LYS 1 -13.449 -0.768 14.071 12 2HE LYS 1 HE1 LYS 1 -14.770 -1.934 14.180 13 1HZ LYS 1 HZ1 LYS 1 -13.012 -1.962 16.469 14 2HZ LYS 1 HZ2 LYS 1 -14.700 -1.901 16.408 15 3HZ LYS 1 HZ3 LYS 1 -13.795 -0.479 16.248 16 H THR 2 HN THR 2 -8.401 -3.781 12.028 17 HA THR 2 HA THR 2 -7.584 -1.011 11.476 18 HB THR 2 HB THR 2 -5.607 -1.792 10.233 19 HG1 THR 2 HG1 THR 2 -6.627 -4.048 10.070 20 1HG2 THR 2 HG21 THR 2 -4.233 -1.864 11.998 21 2HG2 THR 2 HG22 THR 2 -5.126 -3.169 12.778 22 3HG2 THR 2 HG23 THR 2 -5.703 -1.506 12.905 23 H CYS 3 HN CYS 3 -7.647 -0.411 9.233 24 HA CYS 3 HA CYS 3 -9.446 -2.145 7.654 25 1HB CYS 3 HB2 CYS 3 -9.119 0.860 7.565 26 2HB CYS 3 HB1 CYS 3 -10.184 -0.071 6.519 27 H GLU 4 HN GLU 4 -9.133 -2.349 5.403 28 HA GLU 4 HA GLU 4 -6.390 -1.752 4.499 29 1HB GLU 4 HB2 GLU 4 -8.304 -3.894 3.545 30 2HB GLU 4 HB1 GLU 4 -6.727 -3.573 2.838 31 1HG GLU 4 HG2 GLU 4 -5.681 -4.130 4.991 32 2HG GLU 4 HG1 GLU 4 -7.269 -4.521 5.641 33 H HIS 5 HN HIS 5 -6.145 -0.295 2.935 34 HA HIS 5 HA HIS 5 -8.328 0.131 1.029 35 1HB HIS 5 HB2 HIS 5 -7.034 2.334 2.649 36 2HB HIS 5 HB1 HIS 5 -8.084 2.607 1.264 37 HD1 HIS 5 HD1 HIS 5 -10.496 1.072 1.682 38 HD2 HIS 5 HD2 HIS 5 -8.448 2.690 4.912 39 HE1 HIS 5 HE1 HIS 5 -12.182 1.205 3.543 40 HE2 HIS 5 HE2 HIS 5 -10.962 2.348 5.429 41 H LEU 6 HN LEU 6 -7.691 0.435 -0.992 42 HA LEU 6 HA LEU 6 -4.911 0.222 -1.654 43 1HB LEU 6 HB2 LEU 6 -6.642 -0.902 -2.962 44 2HB LEU 6 HB1 LEU 6 -7.357 0.645 -3.383 45 HG LEU 6 HG LEU 6 -4.608 -0.278 -4.243 46 1HD1 LEU 6 HD11 LEU 6 -6.184 -0.070 -6.473 47 2HD1 LEU 6 HD12 LEU 6 -7.288 -0.767 -5.286 48 3HD1 LEU 6 HD13 LEU 6 -5.763 -1.573 -5.653 49 1HD2 LEU 6 HD21 LEU 6 -5.408 1.650 -5.983 50 2HD2 LEU 6 HD22 LEU 6 -4.356 1.929 -4.597 51 3HD2 LEU 6 HD23 LEU 6 -6.086 2.251 -4.472 52 H ALA 7 HN ALA 7 -3.519 1.820 -2.100 53 HA ALA 7 HA ALA 7 -4.449 4.566 -1.892 54 1HB ALA 7 HB1 ALA 7 -1.772 4.782 -2.277 55 2HB ALA 7 HB2 ALA 7 -1.893 3.173 -1.562 56 3HB ALA 7 HB3 ALA 7 -2.551 4.568 -0.709 57 H ASP 8 HN ASP 8 -4.770 5.911 -3.508 58 HA ASP 8 HA ASP 8 -4.392 5.054 -6.228 59 1HB ASP 8 HB2 ASP 8 -5.517 7.236 -6.751 60 2HB ASP 8 HB1 ASP 8 -6.434 6.173 -5.689 61 H THR 9 HN THR 9 -2.315 6.627 -4.099 62 HA THR 9 HA THR 9 -0.991 8.083 -6.296 63 HB THR 9 HB THR 9 -1.535 9.490 -4.366 64 HG1 THR 9 HG1 THR 9 0.269 10.435 -4.830 65 1HG2 THR 9 HG21 THR 9 -1.584 8.181 -2.463 66 2HG2 THR 9 HG22 THR 9 -0.084 9.090 -2.276 67 3HG2 THR 9 HG23 THR 9 -0.037 7.417 -2.825 68 H TYR 10 HN TYR 10 -0.648 5.547 -6.612 69 HA TYR 10 HA TYR 10 1.910 4.773 -5.382 70 1HB TYR 10 HB2 TYR 10 -0.002 3.217 -5.066 71 2HB TYR 10 HB1 TYR 10 -0.180 3.084 -6.808 72 HD1 TYR 10 HD1 TYR 10 0.296 0.900 -7.373 73 HD2 TYR 10 HD2 TYR 10 2.874 2.908 -4.647 74 HE1 TYR 10 HE1 TYR 10 1.847 -1.005 -7.443 75 HE2 TYR 10 HE2 TYR 10 4.429 0.998 -4.707 76 HH TYR 10 HH TYR 10 4.876 -0.918 -6.651 77 H ARG 11 HN ARG 11 2.733 2.950 -7.420 78 HA ARG 11 HA ARG 11 3.490 4.809 -9.530 79 1HB ARG 11 HB2 ARG 11 4.841 2.222 -8.773 80 2HB ARG 11 HB1 ARG 11 5.509 3.566 -9.692 81 1HG ARG 11 HG2 ARG 11 5.355 4.958 -7.630 82 2HG ARG 11 HG1 ARG 11 4.861 3.506 -6.754 83 1HD ARG 11 HD2 ARG 11 6.932 2.421 -7.237 84 2HD ARG 11 HD1 ARG 11 7.425 3.715 -8.332 85 HE ARG 11 HE ARG 11 6.948 4.817 -5.806 86 1HH1 ARG 11 HH11 ARG 11 9.221 2.689 -7.358 87 2HH1 ARG 11 HH12 ARG 11 10.512 3.083 -6.284 88 1HH2 ARG 11 HH21 ARG 11 8.650 5.337 -4.404 89 2HH2 ARG 11 HH22 ARG 11 10.185 4.573 -4.603 90 H GLY 12 HN GLY 12 4.568 2.517 -11.108 91 1HA GLY 12 HA2 GLY 12 2.068 1.815 -12.453 92 2HA GLY 12 HA1 GLY 12 3.691 1.612 -13.104 93 H VAL 13 HN VAL 13 4.785 -0.295 -12.761 94 HA VAL 13 HA VAL 13 3.151 -2.529 -11.837 95 HB VAL 13 HB VAL 13 5.871 -2.558 -13.152 96 1HG1 VAL 13 HG11 VAL 13 3.934 -4.725 -12.402 97 2HG1 VAL 13 HG12 VAL 13 5.665 -4.619 -12.084 98 3HG1 VAL 13 HG13 VAL 13 5.089 -4.941 -13.719 99 1HG2 VAL 13 HG21 VAL 13 3.270 -3.214 -14.494 100 2HG2 VAL 13 HG22 VAL 13 4.831 -2.842 -15.223 101 3HG2 VAL 13 HG23 VAL 13 3.893 -1.567 -14.447 102 H CYS 14 HN CYS 14 3.674 -3.921 -10.157 103 HA CYS 14 HA CYS 14 5.801 -2.964 -8.347 104 1HB CYS 14 HB2 CYS 14 3.623 -3.014 -7.280 105 2HB CYS 14 HB1 CYS 14 3.396 -4.700 -7.750 106 H PHE 15 HN PHE 15 7.258 -4.404 -7.379 107 HA PHE 15 HA PHE 15 7.465 -7.034 -8.683 108 1HB PHE 15 HB2 PHE 15 9.766 -5.200 -7.977 109 2HB PHE 15 HB1 PHE 15 9.917 -6.822 -8.648 110 HD1 PHE 15 HD1 PHE 15 10.425 -6.920 -10.871 111 HD2 PHE 15 HD2 PHE 15 8.073 -3.667 -9.462 112 HE1 PHE 15 HE1 PHE 15 10.374 -5.976 -13.144 113 HE2 PHE 15 HE2 PHE 15 8.011 -2.721 -11.729 114 HZ PHE 15 HZ PHE 15 9.163 -3.875 -13.575 115 H THR 16 HN THR 16 8.521 -5.155 -5.821 116 HA THR 16 HA THR 16 8.415 -7.675 -4.284 117 HB THR 16 HB THR 16 10.264 -6.859 -2.903 118 HG1 THR 16 HG1 THR 16 9.851 -4.601 -3.214 119 1HG2 THR 16 HG21 THR 16 11.306 -6.394 -5.642 120 2HG2 THR 16 HG22 THR 16 10.641 -7.978 -5.244 121 3HG2 THR 16 HG23 THR 16 11.990 -7.327 -4.313 122 H ASN 17 HN ASN 17 7.574 -7.610 -2.210 123 HA ASN 17 HA ASN 17 5.419 -6.109 -1.576 124 1HB ASN 17 HB2 ASN 17 7.472 -7.123 0.408 125 2HB ASN 17 HB1 ASN 17 5.790 -6.742 0.765 126 1HD2 ASN 17 HD21 ASN 17 4.572 -8.480 0.941 127 2HD2 ASN 17 HD22 ASN 17 4.762 -9.948 0.051 128 H ALA 18 HN ALA 18 8.776 -5.175 -0.959 129 HA ALA 18 HA ALA 18 8.427 -3.006 0.727 130 1HB ALA 18 HB1 ALA 18 10.563 -2.153 -0.276 131 2HB ALA 18 HB2 ALA 18 10.471 -3.480 -1.434 132 3HB ALA 18 HB3 ALA 18 10.617 -3.822 0.291 133 H SER 19 HN SER 19 7.798 -3.197 -2.726 134 HA SER 19 HA SER 19 7.873 -0.547 -3.493 135 1HB SER 19 HB2 SER 19 5.907 -2.686 -4.336 136 2HB SER 19 HB1 SER 19 6.116 -1.145 -5.162 137 HG SER 19 HG SER 19 8.507 -2.362 -4.836 138 H CYS 20 HN CYS 20 5.115 -2.229 -1.976 139 HA CYS 20 HA CYS 20 3.504 0.149 -1.918 140 1HB CYS 20 HB2 CYS 20 3.159 -2.571 -0.657 141 2HB CYS 20 HB1 CYS 20 1.976 -1.274 -0.514 142 H ASP 21 HN ASP 21 5.374 -1.688 0.459 143 HA ASP 21 HA ASP 21 4.649 -0.420 2.791 144 1HB ASP 21 HB2 ASP 21 6.194 -2.396 2.522 145 2HB ASP 21 HB1 ASP 21 7.474 -1.257 2.117 146 H ASP 22 HN ASP 22 7.643 0.442 0.994 147 HA ASP 22 HA ASP 22 8.218 2.854 2.241 148 1HB ASP 22 HB2 ASP 22 9.751 1.879 0.623 149 2HB ASP 22 HB1 ASP 22 8.576 2.078 -0.670 150 H HIS 23 HN HIS 23 6.509 2.426 -0.793 151 HA HIS 23 HA HIS 23 5.577 4.876 -1.402 152 1HB HIS 23 HB2 HIS 23 5.023 3.170 -2.886 153 2HB HIS 23 HB1 HIS 23 4.409 2.127 -1.626 154 HD1 HIS 23 HD1 HIS 23 3.268 5.586 -2.617 155 HD2 HIS 23 HD2 HIS 23 1.888 1.752 -2.408 156 HE1 HIS 23 HE1 HIS 23 0.772 5.753 -2.967 157 HE2 HIS 23 HE2 HIS 23 -0.054 3.405 -2.720 158 H CYS 24 HN CYS 24 3.575 2.635 0.515 159 HA CYS 24 HA CYS 24 1.770 4.611 1.346 160 1HB CYS 24 HB2 CYS 24 2.460 1.895 2.409 161 2HB CYS 24 HB1 CYS 24 1.305 2.918 3.262 162 H LYS 25 HN LYS 25 4.690 3.394 3.040 163 HA LYS 25 HA LYS 25 4.370 4.902 5.375 164 1HB LYS 25 HB2 LYS 25 6.850 3.909 3.978 165 2HB LYS 25 HB1 LYS 25 6.918 4.764 5.515 166 1HG LYS 25 HG2 LYS 25 5.577 3.057 6.574 167 2HG LYS 25 HG1 LYS 25 5.367 2.226 5.031 168 1HD LYS 25 HD2 LYS 25 7.717 1.716 4.925 169 2HD LYS 25 HD1 LYS 25 8.035 2.694 6.361 170 1HE LYS 25 HE2 LYS 25 6.840 1.175 7.756 171 2HE LYS 25 HE1 LYS 25 6.214 0.293 6.363 172 1HZ LYS 25 HZ1 LYS 25 9.111 0.464 6.996 173 2HZ LYS 25 HZ2 LYS 25 8.350 -0.561 5.866 174 3HZ LYS 25 HZ3 LYS 25 8.115 -0.797 7.538 175 H ASN 26 HN ASN 26 5.867 5.824 2.300 176 HA ASN 26 HA ASN 26 6.507 8.476 3.294 177 1HB ASN 26 HB2 ASN 26 6.978 7.040 0.700 178 2HB ASN 26 HB1 ASN 26 7.287 8.754 0.847 179 1HD2 ASN 26 HD21 ASN 26 8.766 6.037 0.737 180 2HD2 ASN 26 HD22 ASN 26 10.090 6.347 1.798 181 H LYS 27 HN LYS 27 4.102 7.032 1.119 182 HA LYS 27 HA LYS 27 3.095 9.587 0.234 183 1HB LYS 27 HB2 LYS 27 1.968 6.799 -0.001 184 2HB LYS 27 HB1 LYS 27 1.214 8.219 -0.710 185 1HG LYS 27 HG2 LYS 27 3.935 7.124 -1.373 186 2HG LYS 27 HG1 LYS 27 2.467 6.968 -2.346 187 1HD LYS 27 HD2 LYS 27 2.396 9.391 -2.645 188 2HD LYS 27 HD1 LYS 27 3.837 9.569 -1.630 189 1HE LYS 27 HE2 LYS 27 4.421 9.700 -3.988 190 2HE LYS 27 HE1 LYS 27 5.123 8.261 -3.246 191 1HZ LYS 27 HZ1 LYS 27 2.517 7.772 -4.397 192 2HZ LYS 27 HZ2 LYS 27 3.977 6.934 -4.607 193 3HZ LYS 27 HZ3 LYS 27 3.657 8.305 -5.542 194 H ALA 28 HN ALA 28 1.623 7.004 2.204 195 HA ALA 28 HA ALA 28 0.176 9.075 3.693 196 1HB ALA 28 HB1 ALA 28 -1.444 6.737 3.581 197 2HB ALA 28 HB2 ALA 28 -0.986 7.173 1.934 198 3HB ALA 28 HB3 ALA 28 -1.791 8.354 2.966 199 H HIS 29 HN HIS 29 1.723 8.849 5.253 200 HA HIS 29 HA HIS 29 3.006 6.997 6.521 201 1HB HIS 29 HB2 HIS 29 2.953 9.336 7.236 202 2HB HIS 29 HB1 HIS 29 1.373 9.080 7.975 203 HD1 HIS 29 HD1 HIS 29 4.750 7.341 8.267 204 HD2 HIS 29 HD2 HIS 29 1.665 8.801 10.632 205 HE1 HIS 29 HE1 HIS 29 5.450 6.881 10.641 206 HE2 HIS 29 HE2 HIS 29 3.614 7.873 12.058 207 H LEU 30 HN LEU 30 1.791 5.082 6.081 208 HA LEU 30 HA LEU 30 -0.144 4.362 8.184 209 1HB LEU 30 HB2 LEU 30 0.215 3.451 5.385 210 2HB LEU 30 HB1 LEU 30 -0.252 2.222 6.545 211 HG LEU 30 HG LEU 30 -2.238 3.565 7.142 212 1HD1 LEU 30 HD11 LEU 30 -2.865 5.510 6.042 213 2HD1 LEU 30 HD12 LEU 30 -1.674 5.286 4.763 214 3HD1 LEU 30 HD13 LEU 30 -1.153 5.750 6.386 215 1HD2 LEU 30 HD21 LEU 30 -2.693 3.429 4.300 216 2HD2 LEU 30 HD22 LEU 30 -3.348 2.432 5.599 217 3HD2 LEU 30 HD23 LEU 30 -1.794 2.025 4.877 218 H ILE 31 HN ILE 31 0.062 1.715 8.419 219 HA ILE 31 HA ILE 31 2.611 1.409 9.721 220 HB ILE 31 HB ILE 31 1.682 -0.732 10.544 221 1HG1 ILE 31 HG12 ILE 31 -0.820 0.225 9.154 222 2HG1 ILE 31 HG11 ILE 31 0.146 -1.178 8.710 223 1HG2 ILE 31 HG21 ILE 31 1.534 1.149 11.949 224 2HG2 ILE 31 HG22 ILE 31 -0.043 0.365 12.004 225 3HG2 ILE 31 HG23 ILE 31 0.187 1.822 11.036 226 1HD1 ILE 31 HD11 ILE 31 -1.392 -0.806 11.266 227 2HD1 ILE 31 HD12 ILE 31 -0.395 -2.207 10.869 228 3HD1 ILE 31 HD13 ILE 31 -1.835 -1.848 9.914 229 H SER 32 HN SER 32 0.855 -0.301 7.137 230 HA SER 32 HA SER 32 3.403 -1.236 6.079 231 1HB SER 32 HB2 SER 32 1.216 -3.157 6.917 232 2HB SER 32 HB1 SER 32 2.659 -3.597 6.003 233 HG SER 32 HG SER 32 2.528 -2.607 8.659 234 H GLY 33 HN GLY 33 3.004 -2.597 4.006 235 1HA GLY 33 HA2 GLY 33 0.526 -2.042 2.603 236 2HA GLY 33 HA1 GLY 33 1.906 -1.126 2.014 237 H THR 34 HN THR 34 0.122 -3.583 1.120 238 HA THR 34 HA THR 34 2.412 -5.141 0.091 239 HB THR 34 HB THR 34 -0.304 -6.172 0.924 240 HG1 THR 34 HG1 THR 34 0.919 -6.019 2.713 241 1HG2 THR 34 HG21 THR 34 0.140 -8.232 0.113 242 2HG2 THR 34 HG22 THR 34 1.887 -8.029 0.232 243 3HG2 THR 34 HG23 THR 34 1.001 -7.287 -1.100 244 H CYS 35 HN CYS 35 2.331 -5.863 -2.040 245 HA CYS 35 HA CYS 35 0.675 -4.284 -3.808 246 1HB CYS 35 HB2 CYS 35 2.827 -6.330 -4.361 247 2HB CYS 35 HB1 CYS 35 1.964 -5.452 -5.623 248 H HIS 36 HN HIS 36 -1.053 -4.876 -4.927 249 HA HIS 36 HA HIS 36 -1.788 -7.733 -5.075 250 1HB HIS 36 HB2 HIS 36 -3.569 -5.409 -4.331 251 2HB HIS 36 HB1 HIS 36 -4.183 -6.993 -4.782 252 HD1 HIS 36 HD1 HIS 36 -3.219 -8.999 -3.173 253 HD2 HIS 36 HD2 HIS 36 -3.119 -5.133 -1.695 254 HE1 HIS 36 HE1 HIS 36 -3.065 -9.244 -0.681 255 HE2 HIS 36 HE2 HIS 36 -3.142 -6.890 0.211 256 H ASN 37 HN ASN 37 -1.530 -8.126 -7.231 257 HA ASN 37 HA ASN 37 -1.656 -7.883 -9.509 258 1HB ASN 37 HB2 ASN 37 -4.345 -6.720 -8.742 259 2HB ASN 37 HB1 ASN 37 -3.907 -7.316 -10.343 260 1HD2 ASN 37 HD21 ASN 37 -5.409 -8.099 -7.518 261 2HD2 ASN 37 HD22 ASN 37 -5.350 -9.820 -7.642 262 H TRP 38 HN TRP 38 0.026 -6.066 -8.861 263 HA TRP 38 HA TRP 38 1.018 -4.108 -9.447 264 1HB TRP 38 HB2 TRP 38 -1.273 -4.028 -11.399 265 2HB TRP 38 HB1 TRP 38 -0.048 -2.775 -11.338 266 HD1 TRP 38 HD1 TRP 38 1.535 -3.053 -13.257 267 HE1 TRP 38 HE1 TRP 38 2.663 -5.001 -14.503 268 HE3 TRP 38 HE3 TRP 38 -0.519 -7.000 -10.712 269 HZ2 TRP 38 HZ2 TRP 38 2.686 -7.801 -14.433 270 HZ3 TRP 38 HZ3 TRP 38 0.115 -9.276 -11.373 271 HH2 TRP 38 HH2 TRP 38 1.683 -9.671 -13.199 272 H LYS 39 HN LYS 39 -1.386 -4.207 -7.444 273 HA LYS 39 HA LYS 39 -1.721 -1.276 -7.281 274 1HB LYS 39 HB2 LYS 39 -3.715 -3.413 -6.512 275 2HB LYS 39 HB1 LYS 39 -3.942 -1.685 -6.273 276 1HG LYS 39 HG2 LYS 39 -3.881 -1.348 -8.692 277 2HG LYS 39 HG1 LYS 39 -3.638 -3.081 -8.926 278 1HD LYS 39 HD2 LYS 39 -5.797 -3.524 -7.846 279 2HD LYS 39 HD1 LYS 39 -6.041 -1.790 -7.631 280 1HE LYS 39 HE2 LYS 39 -5.985 -1.490 -10.067 281 2HE LYS 39 HE1 LYS 39 -5.765 -3.230 -10.268 282 1HZ LYS 39 HZ1 LYS 39 -8.090 -2.501 -10.559 283 2HZ LYS 39 HZ2 LYS 39 -8.120 -1.979 -8.951 284 3HZ LYS 39 HZ3 LYS 39 -7.916 -3.620 -9.302 285 H CYS 40 HN CYS 40 -2.037 -0.437 -5.028 286 HA CYS 40 HA CYS 40 -0.653 -2.156 -3.083 287 1HB CYS 40 HB2 CYS 40 -0.468 0.810 -3.542 288 2HB CYS 40 HB1 CYS 40 -0.060 0.098 -1.985 289 H PHE 41 HN PHE 41 -1.828 -2.865 -1.498 290 HA PHE 41 HA PHE 41 -4.083 -1.228 -0.507 291 1HB PHE 41 HB2 PHE 41 -3.756 -4.236 -0.326 292 2HB PHE 41 HB1 PHE 41 -5.119 -3.303 0.280 293 HD1 PHE 41 HD1 PHE 41 -6.980 -3.870 -0.920 294 HD2 PHE 41 HD2 PHE 41 -3.329 -3.261 -3.011 295 HE1 PHE 41 HE1 PHE 41 -8.146 -4.220 -3.050 296 HE2 PHE 41 HE2 PHE 41 -4.493 -3.605 -5.137 297 HZ PHE 41 HZ PHE 41 -6.904 -4.075 -5.171 298 H CYS 42 HN CYS 42 -3.337 -0.192 1.270 299 HA CYS 42 HA CYS 42 -1.596 -1.692 3.089 300 1HB CYS 42 HB2 CYS 42 -1.929 1.274 2.641 301 2HB CYS 42 HB1 CYS 42 -0.939 0.573 3.919 302 H THR 43 HN THR 43 -1.823 -1.166 5.427 303 HA THR 43 HA THR 43 -4.669 -1.041 6.123 304 HB THR 43 HB THR 43 -3.879 -2.149 8.250 305 HG1 THR 43 HG1 THR 43 -1.833 -3.129 8.149 306 1HG2 THR 43 HG21 THR 43 -3.937 -4.301 7.412 307 2HG2 THR 43 HG22 THR 43 -3.121 -3.843 5.916 308 3HG2 THR 43 HG23 THR 43 -4.796 -3.364 6.191 309 H GLN 44 HN GLN 44 -5.447 0.325 7.606 310 HA GLN 44 HA GLN 44 -3.582 2.138 8.983 311 1HB GLN 44 HB2 GLN 44 -4.485 3.210 6.913 312 2HB GLN 44 HB1 GLN 44 -6.107 3.012 7.557 313 1HG GLN 44 HG2 GLN 44 -5.547 4.474 9.430 314 2HG GLN 44 HG1 GLN 44 -3.911 4.661 8.799 315 1HE2 GLN 44 HE21 GLN 44 -6.654 6.271 9.098 316 2HE2 GLN 44 HE22 GLN 44 -6.631 7.224 7.659 317 H ASN 45 HN ASN 45 -4.347 2.963 10.971 318 HA ASN 45 HA ASN 45 -5.918 1.242 12.508 319 1HB ASN 45 HB2 ASN 45 -5.337 4.166 13.052 320 2HB ASN 45 HB1 ASN 45 -5.805 2.952 14.239 321 1HD2 ASN 45 HD21 ASN 45 -3.260 4.619 13.093 322 2HD2 ASN 45 HD22 ASN 45 -1.987 3.526 13.494 323 H CYS 46 HN CYS 46 -8.070 1.183 13.058 324 HA CYS 46 HA CYS 46 -9.856 3.368 12.580 325 1HB CYS 46 HB2 CYS 46 -11.267 2.280 10.887 326 2HB CYS 46 HB1 CYS 46 -9.640 2.584 10.277 Start of MODEL 7 1 1H LYS 1 HT1 LYS 1 -10.276 -5.211 15.184 2 2H LYS 1 HT2 LYS 1 -9.686 -3.630 15.022 3 3H LYS 1 HT3 LYS 1 -8.616 -4.911 15.300 4 HA LYS 1 HA LYS 1 -8.822 -5.762 13.179 5 1HB LYS 1 HB2 LYS 1 -10.654 -4.897 11.638 6 2HB LYS 1 HB1 LYS 1 -11.175 -5.901 12.979 7 1HG LYS 1 HG2 LYS 1 -11.856 -3.904 14.215 8 2HG LYS 1 HG1 LYS 1 -11.324 -2.892 12.870 9 1HD LYS 1 HD2 LYS 1 -12.981 -3.855 11.415 10 2HD LYS 1 HD1 LYS 1 -13.426 -5.052 12.632 11 1HE LYS 1 HE2 LYS 1 -13.752 -2.066 12.932 12 2HE LYS 1 HE1 LYS 1 -15.039 -3.180 12.463 13 1HZ LYS 1 HZ1 LYS 1 -13.740 -2.832 15.080 14 2HZ LYS 1 HZ2 LYS 1 -14.337 -4.363 14.676 15 3HZ LYS 1 HZ3 LYS 1 -15.381 -3.033 14.713 16 H THR 2 HN THR 2 -8.854 -4.443 10.870 17 HA THR 2 HA THR 2 -7.633 -1.810 11.261 18 HB THR 2 HB THR 2 -5.680 -2.401 9.883 19 HG1 THR 2 HG1 THR 2 -5.610 -4.231 8.874 20 1HG2 THR 2 HG21 THR 2 -4.752 -4.283 11.503 21 2HG2 THR 2 HG22 THR 2 -6.133 -3.764 12.467 22 3HG2 THR 2 HG23 THR 2 -4.901 -2.596 11.993 23 H CYS 3 HN CYS 3 -7.332 -0.611 9.232 24 HA CYS 3 HA CYS 3 -9.309 -1.467 7.210 25 1HB CYS 3 HB2 CYS 3 -8.422 1.305 8.017 26 2HB CYS 3 HB1 CYS 3 -9.437 0.976 6.616 27 H GLU 4 HN GLU 4 -8.754 -1.676 5.140 28 HA GLU 4 HA GLU 4 -5.974 -1.054 4.403 29 1HB GLU 4 HB2 GLU 4 -7.835 -3.184 3.341 30 2HB GLU 4 HB1 GLU 4 -6.282 -2.791 2.614 31 1HG GLU 4 HG2 GLU 4 -5.170 -3.382 4.722 32 2HG GLU 4 HG1 GLU 4 -6.731 -3.832 5.403 33 H HIS 5 HN HIS 5 -5.579 0.331 2.821 34 HA HIS 5 HA HIS 5 -7.737 1.015 0.945 35 1HB HIS 5 HB2 HIS 5 -6.065 3.006 2.496 36 2HB HIS 5 HB1 HIS 5 -7.127 3.428 1.160 37 HD1 HIS 5 HD1 HIS 5 -9.729 2.324 1.691 38 HD2 HIS 5 HD2 HIS 5 -7.283 3.497 4.835 39 HE1 HIS 5 HE1 HIS 5 -11.277 2.705 3.639 40 HE2 HIS 5 HE2 HIS 5 -9.787 3.570 5.479 41 H LEU 6 HN LEU 6 -7.100 1.228 -1.123 42 HA LEU 6 HA LEU 6 -4.309 0.733 -1.753 43 1HB LEU 6 HB2 LEU 6 -5.947 -0.578 -2.920 44 2HB LEU 6 HB1 LEU 6 -6.800 0.860 -3.454 45 HG LEU 6 HG LEU 6 -4.036 0.036 -4.362 46 1HD1 LEU 6 HD11 LEU 6 -6.022 0.050 -6.404 47 2HD1 LEU 6 HD12 LEU 6 -6.589 -0.950 -5.067 48 3HD1 LEU 6 HD13 LEU 6 -5.037 -1.297 -5.831 49 1HD2 LEU 6 HD21 LEU 6 -5.082 1.740 -6.223 50 2HD2 LEU 6 HD22 LEU 6 -3.934 2.197 -4.966 51 3HD2 LEU 6 HD23 LEU 6 -5.662 2.448 -4.716 52 H ALA 7 HN ALA 7 -2.906 2.152 -2.569 53 HA ALA 7 HA ALA 7 -3.684 4.949 -2.613 54 1HB ALA 7 HB1 ALA 7 -0.976 4.745 -3.311 55 2HB ALA 7 HB2 ALA 7 -1.266 3.485 -2.111 56 3HB ALA 7 HB3 ALA 7 -1.661 5.165 -1.741 57 H ASP 8 HN ASP 8 -4.484 5.824 -4.369 58 HA ASP 8 HA ASP 8 -4.332 4.756 -6.969 59 1HB ASP 8 HB2 ASP 8 -5.064 7.555 -6.097 60 2HB ASP 8 HB1 ASP 8 -5.409 6.849 -7.670 61 H THR 9 HN THR 9 -2.166 6.911 -5.300 62 HA THR 9 HA THR 9 -0.841 7.580 -7.841 63 HB THR 9 HB THR 9 0.325 9.349 -6.607 64 HG1 THR 9 HG1 THR 9 0.249 8.152 -4.561 65 1HG2 THR 9 HG21 THR 9 -2.411 9.786 -5.614 66 2HG2 THR 9 HG22 THR 9 -2.221 9.539 -7.350 67 3HG2 THR 9 HG23 THR 9 -1.353 10.845 -6.541 68 H TYR 10 HN TYR 10 -0.175 5.300 -7.772 69 HA TYR 10 HA TYR 10 2.180 4.852 -6.070 70 1HB TYR 10 HB2 TYR 10 0.360 3.184 -5.832 71 2HB TYR 10 HB1 TYR 10 0.452 2.839 -7.555 72 HD1 TYR 10 HD1 TYR 10 1.189 0.661 -7.766 73 HD2 TYR 10 HD2 TYR 10 3.145 3.242 -5.015 74 HE1 TYR 10 HE1 TYR 10 2.905 -1.061 -7.372 75 HE2 TYR 10 HE2 TYR 10 4.860 1.526 -4.607 76 HH TYR 10 HH TYR 10 5.543 -0.859 -6.505 77 H ARG 11 HN ARG 11 3.553 2.975 -7.638 78 HA ARG 11 HA ARG 11 4.361 4.614 -9.902 79 1HB ARG 11 HB2 ARG 11 5.952 2.380 -8.679 80 2HB ARG 11 HB1 ARG 11 6.528 3.729 -9.649 81 1HG ARG 11 HG2 ARG 11 5.866 5.241 -7.748 82 2HG ARG 11 HG1 ARG 11 5.576 3.780 -6.793 83 1HD ARG 11 HD2 ARG 11 7.845 3.100 -6.992 84 2HD ARG 11 HD1 ARG 11 8.194 4.365 -8.175 85 HE ARG 11 HE ARG 11 7.291 5.604 -5.854 86 1HH1 ARG 11 HH11 ARG 11 9.983 3.685 -6.877 87 2HH1 ARG 11 HH12 ARG 11 11.101 4.431 -5.792 88 1HH2 ARG 11 HH21 ARG 11 8.755 6.595 -4.408 89 2HH2 ARG 11 HH22 ARG 11 10.406 6.085 -4.393 90 H GLY 12 HN GLY 12 2.110 2.799 -10.082 91 1HA GLY 12 HA2 GLY 12 1.339 1.487 -11.844 92 2HA GLY 12 HA1 GLY 12 3.006 1.223 -12.352 93 H VAL 13 HN VAL 13 3.827 -0.734 -12.003 94 HA VAL 13 HA VAL 13 2.288 -2.747 -10.648 95 HB VAL 13 HB VAL 13 5.074 -2.908 -11.808 96 1HG1 VAL 13 HG11 VAL 13 3.180 -5.133 -11.069 97 2HG1 VAL 13 HG12 VAL 13 4.624 -4.676 -10.164 98 3HG1 VAL 13 HG13 VAL 13 4.775 -5.314 -11.800 99 1HG2 VAL 13 HG21 VAL 13 2.356 -3.289 -12.969 100 2HG2 VAL 13 HG22 VAL 13 3.720 -4.215 -13.596 101 3HG2 VAL 13 HG23 VAL 13 3.758 -2.453 -13.638 102 H CYS 14 HN CYS 14 2.879 -3.938 -8.775 103 HA CYS 14 HA CYS 14 4.219 -2.363 -6.780 104 1HB CYS 14 HB2 CYS 14 2.235 -3.714 -6.235 105 2HB CYS 14 HB1 CYS 14 3.153 -5.182 -6.569 106 H PHE 15 HN PHE 15 4.951 -5.451 -8.358 107 HA PHE 15 HA PHE 15 6.897 -6.536 -8.762 108 1HB PHE 15 HB2 PHE 15 8.165 -4.072 -7.572 109 2HB PHE 15 HB1 PHE 15 9.077 -5.414 -8.258 110 HD1 PHE 15 HD1 PHE 15 9.535 -5.482 -10.535 111 HD2 PHE 15 HD2 PHE 15 6.554 -2.819 -9.081 112 HE1 PHE 15 HE1 PHE 15 9.413 -4.413 -12.748 113 HE2 PHE 15 HE2 PHE 15 6.422 -1.750 -11.293 114 HZ PHE 15 HZ PHE 15 7.854 -2.547 -13.129 115 H THR 16 HN THR 16 7.261 -4.885 -5.606 116 HA THR 16 HA THR 16 7.397 -7.506 -4.299 117 HB THR 16 HB THR 16 9.473 -7.003 -3.122 118 HG1 THR 16 HG1 THR 16 9.334 -4.582 -4.577 119 1HG2 THR 16 HG21 THR 16 11.095 -7.099 -4.930 120 2HG2 THR 16 HG22 THR 16 9.839 -6.659 -6.086 121 3HG2 THR 16 HG23 THR 16 9.740 -8.191 -5.219 122 H ASN 17 HN ASN 17 6.851 -7.494 -2.105 123 HA ASN 17 HA ASN 17 5.003 -5.722 -1.170 124 1HB ASN 17 HB2 ASN 17 7.013 -7.294 0.455 125 2HB ASN 17 HB1 ASN 17 5.540 -6.573 1.099 126 1HD2 ASN 17 HD21 ASN 17 3.949 -7.947 1.333 127 2HD2 ASN 17 HD22 ASN 17 3.661 -9.348 0.366 128 H ALA 18 HN ALA 18 8.511 -5.516 -0.727 129 HA ALA 18 HA ALA 18 8.702 -3.381 1.028 130 1HB ALA 18 HB1 ALA 18 10.460 -4.339 -1.206 131 2HB ALA 18 HB2 ALA 18 10.703 -4.471 0.537 132 3HB ALA 18 HB3 ALA 18 10.887 -2.909 -0.263 133 H SER 19 HN SER 19 8.112 -3.370 -2.448 134 HA SER 19 HA SER 19 8.491 -0.660 -2.989 135 1HB SER 19 HB2 SER 19 6.561 -2.601 -4.283 136 2HB SER 19 HB1 SER 19 7.057 -1.053 -4.965 137 HG SER 19 HG SER 19 9.008 -1.848 -5.404 138 H CYS 20 HN CYS 20 5.677 -2.290 -1.582 139 HA CYS 20 HA CYS 20 4.019 0.065 -1.810 140 1HB CYS 20 HB2 CYS 20 3.581 -2.589 -0.474 141 2HB CYS 20 HB1 CYS 20 2.397 -1.301 -0.461 142 H ASP 21 HN ASP 21 5.694 -1.617 0.862 143 HA ASP 21 HA ASP 21 4.704 -0.196 3.005 144 1HB ASP 21 HB2 ASP 21 6.221 -2.065 3.299 145 2HB ASP 21 HB1 ASP 21 7.540 -1.162 2.571 146 H ASP 22 HN ASP 22 7.814 0.644 1.464 147 HA ASP 22 HA ASP 22 8.252 3.138 2.529 148 1HB ASP 22 HB2 ASP 22 9.840 2.102 0.996 149 2HB ASP 22 HB1 ASP 22 8.693 2.217 -0.329 150 H HIS 23 HN HIS 23 6.589 2.474 -0.489 151 HA HIS 23 HA HIS 23 5.588 4.929 -1.167 152 1HB HIS 23 HB2 HIS 23 5.397 3.012 -2.593 153 2HB HIS 23 HB1 HIS 23 4.441 2.153 -1.419 154 HD1 HIS 23 HD1 HIS 23 3.793 5.620 -2.832 155 HD2 HIS 23 HD2 HIS 23 2.190 1.824 -2.812 156 HE1 HIS 23 HE1 HIS 23 1.494 5.847 -3.858 157 HE2 HIS 23 HE2 HIS 23 0.535 3.524 -3.811 158 H CYS 24 HN CYS 24 3.887 2.487 0.782 159 HA CYS 24 HA CYS 24 1.684 4.055 1.498 160 1HB CYS 24 HB2 CYS 24 3.063 1.756 2.862 161 2HB CYS 24 HB1 CYS 24 1.633 2.513 3.557 162 H LYS 25 HN LYS 25 4.691 3.536 3.371 163 HA LYS 25 HA LYS 25 4.050 5.252 5.487 164 1HB LYS 25 HB2 LYS 25 6.743 4.479 4.382 165 2HB LYS 25 HB1 LYS 25 6.512 5.328 5.905 166 1HG LYS 25 HG2 LYS 25 5.225 3.439 6.767 167 2HG LYS 25 HG1 LYS 25 5.444 2.590 5.234 168 1HD LYS 25 HD2 LYS 25 7.860 2.572 5.574 169 2HD LYS 25 HD1 LYS 25 7.664 3.453 7.092 170 1HE LYS 25 HE2 LYS 25 6.489 1.629 8.082 171 2HE LYS 25 HE1 LYS 25 6.396 0.781 6.541 172 1HZ LYS 25 HZ1 LYS 25 8.590 0.936 8.436 173 2HZ LYS 25 HZ2 LYS 25 9.040 1.062 6.809 174 3HZ LYS 25 HZ3 LYS 25 8.180 -0.291 7.343 175 H ASN 26 HN ASN 26 5.625 6.009 2.405 176 HA ASN 26 HA ASN 26 6.019 8.766 3.219 177 1HB ASN 26 HB2 ASN 26 6.767 7.214 0.754 178 2HB ASN 26 HB1 ASN 26 7.023 8.939 0.874 179 1HD2 ASN 26 HD21 ASN 26 8.590 6.280 0.968 180 2HD2 ASN 26 HD22 ASN 26 9.784 6.638 2.159 181 H LYS 27 HN LYS 27 3.750 6.994 1.172 182 HA LYS 27 HA LYS 27 2.693 9.486 0.072 183 1HB LYS 27 HB2 LYS 27 1.937 6.597 -0.333 184 2HB LYS 27 HB1 LYS 27 1.008 7.920 -1.025 185 1HG LYS 27 HG2 LYS 27 3.914 7.331 -1.555 186 2HG LYS 27 HG1 LYS 27 2.564 6.967 -2.638 187 1HD LYS 27 HD2 LYS 27 2.040 9.401 -2.701 188 2HD LYS 27 HD1 LYS 27 3.487 9.703 -1.737 189 1HE LYS 27 HE2 LYS 27 4.845 8.668 -3.524 190 2HE LYS 27 HE1 LYS 27 3.382 8.459 -4.489 191 1HZ LYS 27 HZ1 LYS 27 4.822 10.932 -3.819 192 2HZ LYS 27 HZ2 LYS 27 3.153 11.013 -4.090 193 3HZ LYS 27 HZ3 LYS 27 4.181 10.432 -5.304 194 H ALA 28 HN ALA 28 1.338 6.802 2.005 195 HA ALA 28 HA ALA 28 -0.547 8.735 3.165 196 1HB ALA 28 HB1 ALA 28 -1.461 5.942 3.039 197 2HB ALA 28 HB2 ALA 28 -1.343 6.773 1.488 198 3HB ALA 28 HB3 ALA 28 -2.348 7.443 2.774 199 H HIS 29 HN HIS 29 0.874 9.018 4.817 200 HA HIS 29 HA HIS 29 2.401 7.740 6.438 201 1HB HIS 29 HB2 HIS 29 1.626 10.051 6.789 202 2HB HIS 29 HB1 HIS 29 0.124 9.434 7.476 203 HD1 HIS 29 HD1 HIS 29 3.845 9.034 8.197 204 HD2 HIS 29 HD2 HIS 29 0.202 9.391 10.158 205 HE1 HIS 29 HE1 HIS 29 4.403 9.057 10.651 206 HE2 HIS 29 HE2 HIS 29 2.195 9.430 11.806 207 H LEU 30 HN LEU 30 1.693 5.536 6.115 208 HA LEU 30 HA LEU 30 0.076 4.576 8.384 209 1HB LEU 30 HB2 LEU 30 -0.044 3.811 5.523 210 2HB LEU 30 HB1 LEU 30 -0.196 2.512 6.693 211 HG LEU 30 HG LEU 30 -2.148 3.578 7.680 212 1HD1 LEU 30 HD11 LEU 30 -3.027 5.606 7.083 213 2HD1 LEU 30 HD12 LEU 30 -2.207 5.633 5.523 214 3HD1 LEU 30 HD13 LEU 30 -1.303 5.935 7.001 215 1HD2 LEU 30 HD21 LEU 30 -2.433 3.510 4.689 216 2HD2 LEU 30 HD22 LEU 30 -3.684 3.219 5.896 217 3HD2 LEU 30 HD23 LEU 30 -2.354 2.076 5.713 218 H ILE 31 HN ILE 31 0.550 1.994 8.499 219 HA ILE 31 HA ILE 31 3.286 1.853 9.311 220 HB ILE 31 HB ILE 31 2.731 -0.380 10.146 221 1HG1 ILE 31 HG12 ILE 31 0.001 0.216 8.998 222 2HG1 ILE 31 HG11 ILE 31 1.116 -1.046 8.479 223 1HG2 ILE 31 HG21 ILE 31 2.430 1.285 11.728 224 2HG2 ILE 31 HG22 ILE 31 0.880 0.445 11.737 225 3HG2 ILE 31 HG23 ILE 31 1.047 1.978 10.881 226 1HD1 ILE 31 HD11 ILE 31 -0.169 -0.885 11.192 227 2HD1 ILE 31 HD12 ILE 31 0.858 -2.186 10.589 228 3HD1 ILE 31 HD13 ILE 31 -0.721 -1.899 9.859 229 H SER 32 HN SER 32 1.371 0.019 6.902 230 HA SER 32 HA SER 32 3.724 -0.320 5.276 231 1HB SER 32 HB2 SER 32 2.562 -2.696 6.736 232 2HB SER 32 HB1 SER 32 3.588 -2.856 5.314 233 HG SER 32 HG SER 32 5.190 -1.608 6.527 234 H GLY 33 HN GLY 33 3.170 -2.193 3.551 235 1HA GLY 33 HA2 GLY 33 0.393 -2.187 2.700 236 2HA GLY 33 HA1 GLY 33 1.480 -1.260 1.673 237 H THR 34 HN THR 34 -0.041 -3.633 0.967 238 HA THR 34 HA THR 34 2.203 -5.437 0.300 239 HB THR 34 HB THR 34 -0.636 -6.194 1.007 240 HG1 THR 34 HG1 THR 34 0.184 -6.797 2.847 241 1HG2 THR 34 HG21 THR 34 -0.081 -7.717 -0.693 242 2HG2 THR 34 HG22 THR 34 0.252 -8.553 0.825 243 3HG2 THR 34 HG23 THR 34 1.580 -7.876 -0.115 244 H CYS 35 HN CYS 35 2.160 -6.481 -1.710 245 HA CYS 35 HA CYS 35 1.093 -4.973 -3.865 246 1HB CYS 35 HB2 CYS 35 2.151 -7.814 -3.899 247 2HB CYS 35 HB1 CYS 35 1.938 -6.773 -5.304 248 H HIS 36 HN HIS 36 -0.859 -5.061 -4.800 249 HA HIS 36 HA HIS 36 -2.436 -7.527 -4.748 250 1HB HIS 36 HB2 HIS 36 -3.357 -4.907 -3.589 251 2HB HIS 36 HB1 HIS 36 -4.484 -6.144 -4.110 252 HD1 HIS 36 HD1 HIS 36 -3.745 -8.620 -2.876 253 HD2 HIS 36 HD2 HIS 36 -2.951 -5.033 -0.961 254 HE1 HIS 36 HE1 HIS 36 -3.585 -9.194 -0.440 255 HE2 HIS 36 HE2 HIS 36 -3.327 -6.973 0.717 256 H ASN 37 HN ASN 37 -3.325 -7.847 -6.730 257 HA ASN 37 HA ASN 37 -3.816 -7.472 -8.944 258 1HB ASN 37 HB2 ASN 37 -5.064 -4.969 -7.777 259 2HB ASN 37 HB1 ASN 37 -5.463 -5.695 -9.335 260 1HD2 ASN 37 HD21 ASN 37 -6.441 -5.410 -6.224 261 2HD2 ASN 37 HD22 ASN 37 -7.400 -6.840 -6.092 262 H TRP 38 HN TRP 38 -1.225 -6.634 -8.243 263 HA TRP 38 HA TRP 38 0.554 -5.526 -9.105 264 1HB TRP 38 HB2 TRP 38 -1.422 -4.512 -11.167 265 2HB TRP 38 HB1 TRP 38 0.322 -4.396 -11.280 266 HD1 TRP 38 HD1 TRP 38 -2.125 -7.288 -10.708 267 HE1 TRP 38 HE1 TRP 38 -1.440 -9.256 -12.232 268 HE3 TRP 38 HE3 TRP 38 1.938 -5.172 -12.915 269 HZ2 TRP 38 HZ2 TRP 38 0.586 -9.818 -14.111 270 HZ3 TRP 38 HZ3 TRP 38 3.208 -6.483 -14.570 271 HH2 TRP 38 HH2 TRP 38 2.543 -8.760 -15.153 272 H LYS 39 HN LYS 39 -1.635 -4.189 -7.290 273 HA LYS 39 HA LYS 39 -0.634 -1.424 -7.557 274 1HB LYS 39 HB2 LYS 39 -3.305 -2.402 -6.529 275 2HB LYS 39 HB1 LYS 39 -2.777 -0.725 -6.512 276 1HG LYS 39 HG2 LYS 39 -2.730 -0.647 -8.903 277 2HG LYS 39 HG1 LYS 39 -3.052 -2.378 -9.013 278 1HD LYS 39 HD2 LYS 39 -5.245 -2.005 -7.932 279 2HD LYS 39 HD1 LYS 39 -4.908 -0.275 -7.894 280 1HE LYS 39 HE2 LYS 39 -6.366 -0.904 -9.781 281 2HE LYS 39 HE1 LYS 39 -4.842 -0.189 -10.309 282 1HZ LYS 39 HZ1 LYS 39 -4.633 -3.029 -10.091 283 2HZ LYS 39 HZ2 LYS 39 -4.325 -2.028 -11.420 284 3HZ LYS 39 HZ3 LYS 39 -5.894 -2.593 -11.138 285 H CYS 40 HN CYS 40 -1.351 -0.318 -5.182 286 HA CYS 40 HA CYS 40 -0.096 -2.030 -3.150 287 1HB CYS 40 HB2 CYS 40 0.463 0.837 -3.834 288 2HB CYS 40 HB1 CYS 40 0.727 0.233 -2.201 289 H PHE 41 HN PHE 41 -1.292 -2.404 -1.460 290 HA PHE 41 HA PHE 41 -3.446 -0.515 -0.758 291 1HB PHE 41 HB2 PHE 41 -3.176 -3.471 -0.156 292 2HB PHE 41 HB1 PHE 41 -4.457 -2.441 0.469 293 HD1 PHE 41 HD1 PHE 41 -3.029 -2.571 -2.981 294 HD2 PHE 41 HD2 PHE 41 -6.374 -3.284 -0.458 295 HE1 PHE 41 HE1 PHE 41 -4.400 -3.080 -4.952 296 HE2 PHE 41 HE2 PHE 41 -7.755 -3.795 -2.423 297 HZ PHE 41 HZ PHE 41 -6.770 -3.685 -4.679 298 H CYS 42 HN CYS 42 -3.320 0.498 1.169 299 HA CYS 42 HA CYS 42 -1.106 -0.269 2.949 300 1HB CYS 42 HB2 CYS 42 -2.583 2.368 2.735 301 2HB CYS 42 HB1 CYS 42 -1.155 2.044 3.705 302 H THR 43 HN THR 43 -1.481 -0.566 5.154 303 HA THR 43 HA THR 43 -4.307 -0.861 5.902 304 HB THR 43 HB THR 43 -3.426 -2.409 7.639 305 HG1 THR 43 HG1 THR 43 -1.349 -2.733 7.869 306 1HG2 THR 43 HG21 THR 43 -4.020 -3.830 6.015 307 2HG2 THR 43 HG22 THR 43 -2.279 -4.012 5.806 308 3HG2 THR 43 HG23 THR 43 -3.181 -2.911 4.766 309 H GLN 44 HN GLN 44 -5.147 0.129 7.635 310 HA GLN 44 HA GLN 44 -3.362 1.586 9.465 311 1HB GLN 44 HB2 GLN 44 -4.199 3.198 7.787 312 2HB GLN 44 HB1 GLN 44 -5.851 2.763 8.205 313 1HG GLN 44 HG2 GLN 44 -5.478 3.574 10.489 314 2HG GLN 44 HG1 GLN 44 -3.833 4.027 10.052 315 1HE2 GLN 44 HE21 GLN 44 -6.752 5.256 10.621 316 2HE2 GLN 44 HE22 GLN 44 -6.709 6.652 9.606 317 H ASN 45 HN ASN 45 -4.058 1.697 11.568 318 HA ASN 45 HA ASN 45 -5.773 -0.295 12.542 319 1HB ASN 45 HB2 ASN 45 -4.923 2.261 13.936 320 2HB ASN 45 HB1 ASN 45 -5.477 0.780 14.712 321 1HD2 ASN 45 HD21 ASN 45 -3.852 -0.286 15.611 322 2HD2 ASN 45 HD22 ASN 45 -2.257 -0.427 14.966 323 H CYS 46 HN CYS 46 -7.913 -0.301 13.214 324 HA CYS 46 HA CYS 46 -9.506 2.022 13.540 325 1HB CYS 46 HB2 CYS 46 -10.960 1.829 11.578 326 2HB CYS 46 HB1 CYS 46 -9.291 2.147 11.099 Start of MODEL 8 1 1H LYS 1 HT1 LYS 1 -9.469 -7.287 12.927 2 2H LYS 1 HT2 LYS 1 -7.944 -6.560 12.870 3 3H LYS 1 HT3 LYS 1 -8.956 -6.500 11.524 4 HA LYS 1 HA LYS 1 -10.526 -5.115 12.681 5 1HB LYS 1 HB2 LYS 1 -8.552 -5.324 14.973 6 2HB LYS 1 HB1 LYS 1 -10.000 -4.328 14.958 7 1HG LYS 1 HG2 LYS 1 -11.379 -6.355 14.777 8 2HG LYS 1 HG1 LYS 1 -9.915 -7.340 14.846 9 1HD LYS 1 HD2 LYS 1 -9.408 -6.399 17.065 10 2HD LYS 1 HD1 LYS 1 -10.898 -5.457 16.994 11 1HE LYS 1 HE2 LYS 1 -11.228 -7.455 18.331 12 2HE LYS 1 HE1 LYS 1 -12.195 -7.536 16.857 13 1HZ LYS 1 HZ1 LYS 1 -10.992 -9.260 16.054 14 2HZ LYS 1 HZ2 LYS 1 -10.668 -9.536 17.690 15 3HZ LYS 1 HZ3 LYS 1 -9.533 -8.730 16.731 16 H THR 2 HN THR 2 -9.236 -4.376 10.683 17 HA THR 2 HA THR 2 -8.011 -1.837 11.330 18 HB THR 2 HB THR 2 -6.013 -2.273 9.898 19 HG1 THR 2 HG1 THR 2 -5.509 -4.502 9.531 20 1HG2 THR 2 HG21 THR 2 -4.700 -3.081 11.559 21 2HG2 THR 2 HG22 THR 2 -5.835 -4.361 11.990 22 3HG2 THR 2 HG23 THR 2 -6.140 -2.700 12.499 23 H CYS 3 HN CYS 3 -7.580 -0.534 9.361 24 HA CYS 3 HA CYS 3 -9.539 -1.211 7.263 25 1HB CYS 3 HB2 CYS 3 -8.521 1.481 8.184 26 2HB CYS 3 HB1 CYS 3 -9.596 1.246 6.810 27 H GLU 4 HN GLU 4 -8.887 -1.498 5.248 28 HA GLU 4 HA GLU 4 -6.105 -0.817 4.563 29 1HB GLU 4 HB2 GLU 4 -7.886 -2.986 3.438 30 2HB GLU 4 HB1 GLU 4 -6.265 -2.619 2.862 31 1HG GLU 4 HG2 GLU 4 -5.373 -3.175 5.078 32 2HG GLU 4 HG1 GLU 4 -6.996 -3.579 5.619 33 H HIS 5 HN HIS 5 -5.682 0.440 2.822 34 HA HIS 5 HA HIS 5 -7.858 1.039 0.945 35 1HB HIS 5 HB2 HIS 5 -6.272 3.129 2.449 36 2HB HIS 5 HB1 HIS 5 -7.325 3.476 1.083 37 HD1 HIS 5 HD1 HIS 5 -9.887 2.295 1.603 38 HD2 HIS 5 HD2 HIS 5 -7.546 3.662 4.747 39 HE1 HIS 5 HE1 HIS 5 -11.483 2.668 3.512 40 HE2 HIS 5 HE2 HIS 5 -10.058 3.607 5.367 41 H LEU 6 HN LEU 6 -7.232 1.388 -1.120 42 HA LEU 6 HA LEU 6 -4.423 0.947 -1.763 43 1HB LEU 6 HB2 LEU 6 -6.059 -0.414 -2.903 44 2HB LEU 6 HB1 LEU 6 -6.926 1.009 -3.456 45 HG LEU 6 HG LEU 6 -4.148 0.213 -4.348 46 1HD1 LEU 6 HD11 LEU 6 -6.137 0.140 -6.390 47 2HD1 LEU 6 HD12 LEU 6 -6.674 -0.846 -5.032 48 3HD1 LEU 6 HD13 LEU 6 -5.117 -1.167 -5.792 49 1HD2 LEU 6 HD21 LEU 6 -5.248 1.859 -6.246 50 2HD2 LEU 6 HD22 LEU 6 -4.069 2.349 -5.030 51 3HD2 LEU 6 HD23 LEU 6 -5.791 2.599 -4.742 52 H ALA 7 HN ALA 7 -3.089 2.560 -2.238 53 HA ALA 7 HA ALA 7 -4.102 5.254 -2.472 54 1HB ALA 7 HB1 ALA 7 -1.242 4.971 -2.871 55 2HB ALA 7 HB2 ALA 7 -1.808 4.141 -1.421 56 3HB ALA 7 HB3 ALA 7 -2.137 5.861 -1.637 57 H ASP 8 HN ASP 8 -4.550 6.256 -4.259 58 HA ASP 8 HA ASP 8 -4.117 5.158 -6.848 59 1HB ASP 8 HB2 ASP 8 -5.103 7.322 -7.620 60 2HB ASP 8 HB1 ASP 8 -6.080 6.492 -6.413 61 H THR 9 HN THR 9 -2.033 6.931 -4.858 62 HA THR 9 HA THR 9 -0.631 8.088 -7.162 63 HB THR 9 HB THR 9 -0.209 8.682 -4.219 64 HG1 THR 9 HG1 THR 9 -2.259 9.427 -5.674 65 1HG2 THR 9 HG21 THR 9 0.592 10.342 -6.581 66 2HG2 THR 9 HG22 THR 9 1.688 9.232 -5.756 67 3HG2 THR 9 HG23 THR 9 0.997 10.603 -4.886 68 H TYR 10 HN TYR 10 -0.309 5.561 -7.272 69 HA TYR 10 HA TYR 10 2.217 4.846 -5.947 70 1HB TYR 10 HB2 TYR 10 0.422 3.272 -5.459 71 2HB TYR 10 HB1 TYR 10 0.054 3.101 -7.171 72 HD1 TYR 10 HD1 TYR 10 0.778 1.169 -8.169 73 HD2 TYR 10 HD2 TYR 10 3.037 2.739 -4.925 74 HE1 TYR 10 HE1 TYR 10 2.345 -0.712 -8.355 75 HE2 TYR 10 HE2 TYR 10 4.609 0.857 -5.105 76 HH TYR 10 HH TYR 10 4.829 -1.082 -7.759 77 H ARG 11 HN ARG 11 3.527 3.280 -7.438 78 HA ARG 11 HA ARG 11 3.806 4.577 -10.032 79 1HB ARG 11 HB2 ARG 11 6.152 3.560 -9.875 80 2HB ARG 11 HB1 ARG 11 5.766 4.914 -8.821 81 1HG ARG 11 HG2 ARG 11 5.303 3.332 -6.995 82 2HG ARG 11 HG1 ARG 11 5.776 1.999 -8.050 83 1HD ARG 11 HD2 ARG 11 7.627 2.597 -6.624 84 2HD ARG 11 HD1 ARG 11 8.005 3.023 -8.294 85 HE ARG 11 HE ARG 11 6.889 5.268 -7.032 86 1HH1 ARG 11 HH11 ARG 11 9.799 3.370 -6.925 87 2HH1 ARG 11 HH12 ARG 11 10.776 4.678 -6.362 88 1HH2 ARG 11 HH21 ARG 11 8.172 6.974 -6.291 89 2HH2 ARG 11 HH22 ARG 11 9.856 6.717 -6.002 90 H GLY 12 HN GLY 12 2.593 3.410 -11.432 91 1HA GLY 12 HA2 GLY 12 1.836 1.638 -12.696 92 2HA GLY 12 HA1 GLY 12 3.531 1.176 -12.693 93 H VAL 13 HN VAL 13 3.467 -0.963 -12.512 94 HA VAL 13 HA VAL 13 1.657 -2.279 -10.644 95 HB VAL 13 HB VAL 13 3.613 -3.402 -12.661 96 1HG1 VAL 13 HG11 VAL 13 1.620 -4.804 -10.888 97 2HG1 VAL 13 HG12 VAL 13 3.369 -5.031 -10.933 98 3HG1 VAL 13 HG13 VAL 13 2.377 -5.543 -12.298 99 1HG2 VAL 13 HG21 VAL 13 0.599 -3.251 -12.730 100 2HG2 VAL 13 HG22 VAL 13 1.641 -3.944 -13.973 101 3HG2 VAL 13 HG23 VAL 13 1.697 -2.214 -13.640 102 H CYS 14 HN CYS 14 2.427 -3.884 -9.096 103 HA CYS 14 HA CYS 14 4.997 -3.077 -7.933 104 1HB CYS 14 HB2 CYS 14 3.283 -3.007 -6.287 105 2HB CYS 14 HB1 CYS 14 2.696 -4.614 -6.733 106 H PHE 15 HN PHE 15 6.649 -4.409 -7.549 107 HA PHE 15 HA PHE 15 6.474 -7.139 -8.622 108 1HB PHE 15 HB2 PHE 15 8.875 -5.293 -8.649 109 2HB PHE 15 HB1 PHE 15 8.846 -6.948 -9.258 110 HD1 PHE 15 HD1 PHE 15 8.717 -7.161 -11.531 111 HD2 PHE 15 HD2 PHE 15 6.849 -3.811 -9.691 112 HE1 PHE 15 HE1 PHE 15 8.035 -6.326 -13.744 113 HE2 PHE 15 HE2 PHE 15 6.160 -2.974 -11.895 114 HZ PHE 15 HZ PHE 15 6.754 -4.231 -13.928 115 H THR 16 HN THR 16 7.867 -5.053 -6.117 116 HA THR 16 HA THR 16 8.386 -7.457 -4.486 117 HB THR 16 HB THR 16 10.327 -6.325 -3.498 118 HG1 THR 16 HG1 THR 16 9.657 -4.162 -3.844 119 1HG2 THR 16 HG21 THR 16 10.986 -5.922 -6.324 120 2HG2 THR 16 HG22 THR 16 10.342 -7.512 -5.912 121 3HG2 THR 16 HG23 THR 16 11.781 -6.904 -5.093 122 H ASN 17 HN ASN 17 7.552 -7.434 -2.456 123 HA ASN 17 HA ASN 17 5.516 -5.866 -1.621 124 1HB ASN 17 HB2 ASN 17 7.638 -7.207 0.057 125 2HB ASN 17 HB1 ASN 17 6.167 -6.514 0.730 126 1HD2 ASN 17 HD21 ASN 17 7.526 -9.312 -0.227 127 2HD2 ASN 17 HD22 ASN 17 6.104 -10.210 -0.616 128 H ALA 18 HN ALA 18 8.948 -5.167 -1.016 129 HA ALA 18 HA ALA 18 8.763 -3.015 0.687 130 1HB ALA 18 HB1 ALA 18 10.955 -2.454 0.059 131 2HB ALA 18 HB2 ALA 18 10.746 -3.099 -1.570 132 3HB ALA 18 HB3 ALA 18 10.835 -4.195 -0.192 133 H SER 19 HN SER 19 7.972 -3.091 -2.724 134 HA SER 19 HA SER 19 8.148 -0.376 -3.362 135 1HB SER 19 HB2 SER 19 7.769 -2.161 -5.025 136 2HB SER 19 HB1 SER 19 6.144 -2.404 -4.386 137 HG SER 19 HG SER 19 5.694 -0.987 -5.911 138 H CYS 20 HN CYS 20 5.351 -2.204 -2.100 139 HA CYS 20 HA CYS 20 3.650 0.069 -1.930 140 1HB CYS 20 HB2 CYS 20 3.473 -2.644 -0.628 141 2HB CYS 20 HB1 CYS 20 2.206 -1.428 -0.554 142 H ASP 21 HN ASP 21 5.621 -1.663 0.473 143 HA ASP 21 HA ASP 21 4.814 -0.353 2.778 144 1HB ASP 21 HB2 ASP 21 6.348 -2.265 2.800 145 2HB ASP 21 HB1 ASP 21 7.607 -1.292 2.049 146 H ASP 22 HN ASP 22 7.799 0.470 1.017 147 HA ASP 22 HA ASP 22 8.376 2.934 2.111 148 1HB ASP 22 HB2 ASP 22 9.709 1.608 0.393 149 2HB ASP 22 HB1 ASP 22 8.638 2.264 -0.837 150 H HIS 23 HN HIS 23 6.364 2.200 -0.665 151 HA HIS 23 HA HIS 23 5.499 4.732 -1.403 152 1HB HIS 23 HB2 HIS 23 5.110 2.877 -2.837 153 2HB HIS 23 HB1 HIS 23 4.284 1.980 -1.587 154 HD1 HIS 23 HD1 HIS 23 3.525 5.457 -2.907 155 HD2 HIS 23 HD2 HIS 23 1.850 1.703 -2.631 156 HE1 HIS 23 HE1 HIS 23 1.145 5.722 -3.693 157 HE2 HIS 23 HE2 HIS 23 0.101 3.465 -3.332 158 H CYS 24 HN CYS 24 3.560 2.396 0.476 159 HA CYS 24 HA CYS 24 1.604 4.191 1.312 160 1HB CYS 24 HB2 CYS 24 2.670 1.689 2.606 161 2HB CYS 24 HB1 CYS 24 1.327 2.599 3.285 162 H LYS 25 HN LYS 25 4.575 3.238 3.031 163 HA LYS 25 HA LYS 25 4.268 4.712 5.340 164 1HB LYS 25 HB2 LYS 25 6.076 3.079 4.900 165 2HB LYS 25 HB1 LYS 25 6.841 4.239 3.824 166 1HG LYS 25 HG2 LYS 25 7.220 5.754 5.671 167 2HG LYS 25 HG1 LYS 25 6.363 4.666 6.767 168 1HD LYS 25 HD2 LYS 25 8.062 2.920 6.296 169 2HD LYS 25 HD1 LYS 25 8.938 4.082 5.297 170 1HE LYS 25 HE2 LYS 25 9.247 5.536 7.221 171 2HE LYS 25 HE1 LYS 25 8.312 4.431 8.228 172 1HZ LYS 25 HZ1 LYS 25 10.012 2.742 7.911 173 2HZ LYS 25 HZ2 LYS 25 10.706 4.150 8.539 174 3HZ LYS 25 HZ3 LYS 25 10.895 3.775 6.901 175 H ASN 26 HN ASN 26 5.604 5.819 2.249 176 HA ASN 26 HA ASN 26 5.981 8.506 3.282 177 1HB ASN 26 HB2 ASN 26 6.635 7.142 0.693 178 2HB ASN 26 HB1 ASN 26 6.788 8.875 0.858 179 1HD2 ASN 26 HD21 ASN 26 8.468 6.259 0.819 180 2HD2 ASN 26 HD22 ASN 26 9.740 6.681 1.897 181 H LYS 27 HN LYS 27 3.817 6.883 0.978 182 HA LYS 27 HA LYS 27 2.602 9.347 0.133 183 1HB LYS 27 HB2 LYS 27 1.836 6.459 -0.260 184 2HB LYS 27 HB1 LYS 27 0.880 7.791 -0.899 185 1HG LYS 27 HG2 LYS 27 3.771 7.264 -1.545 186 2HG LYS 27 HG1 LYS 27 2.393 6.833 -2.566 187 1HD LYS 27 HD2 LYS 27 1.773 9.188 -2.751 188 2HD LYS 27 HD1 LYS 27 3.109 9.641 -1.691 189 1HE LYS 27 HE2 LYS 27 3.419 8.260 -4.360 190 2HE LYS 27 HE1 LYS 27 3.565 10.001 -4.111 191 1HZ LYS 27 HZ1 LYS 27 5.569 9.789 -3.105 192 2HZ LYS 27 HZ2 LYS 27 5.650 8.387 -4.047 193 3HZ LYS 27 HZ3 LYS 27 5.216 8.285 -2.415 194 H ALA 28 HN ALA 28 1.451 6.676 2.220 195 HA ALA 28 HA ALA 28 -0.339 8.636 3.489 196 1HB ALA 28 HB1 ALA 28 -1.106 5.799 2.807 197 2HB ALA 28 HB2 ALA 28 -1.686 7.251 1.991 198 3HB ALA 28 HB3 ALA 28 -2.102 6.963 3.681 199 H HIS 29 HN HIS 29 1.327 8.803 5.012 200 HA HIS 29 HA HIS 29 2.790 7.280 6.514 201 1HB HIS 29 HB2 HIS 29 2.468 9.702 6.866 202 2HB HIS 29 HB1 HIS 29 0.958 9.365 7.710 203 HD1 HIS 29 HD1 HIS 29 4.580 8.232 8.072 204 HD2 HIS 29 HD2 HIS 29 1.329 9.406 10.376 205 HE1 HIS 29 HE1 HIS 29 5.398 8.198 10.454 206 HE2 HIS 29 HE2 HIS 29 3.453 9.054 11.811 207 H LEU 30 HN LEU 30 1.762 5.228 6.378 208 HA LEU 30 HA LEU 30 0.007 4.666 8.681 209 1HB LEU 30 HB2 LEU 30 -0.054 3.659 5.896 210 2HB LEU 30 HB1 LEU 30 -0.420 2.498 7.157 211 HG LEU 30 HG LEU 30 -2.282 3.872 7.923 212 1HD1 LEU 30 HD11 LEU 30 -2.942 5.889 6.958 213 2HD1 LEU 30 HD12 LEU 30 -1.859 5.695 5.583 214 3HD1 LEU 30 HD13 LEU 30 -1.204 6.058 7.178 215 1HD2 LEU 30 HD21 LEU 30 -2.055 2.693 5.295 216 2HD2 LEU 30 HD22 LEU 30 -3.305 3.935 5.354 217 3HD2 LEU 30 HD23 LEU 30 -3.355 2.577 6.476 218 H ILE 31 HN ILE 31 0.141 2.098 9.051 219 HA ILE 31 HA ILE 31 2.758 1.673 10.084 220 HB ILE 31 HB ILE 31 1.859 -0.468 10.907 221 1HG1 ILE 31 HG12 ILE 31 -0.696 0.465 9.600 222 2HG1 ILE 31 HG11 ILE 31 0.286 -0.910 9.102 223 1HG2 ILE 31 HG21 ILE 31 0.586 0.494 12.619 224 2HG2 ILE 31 HG22 ILE 31 -0.053 1.746 11.554 225 3HG2 ILE 31 HG23 ILE 31 1.636 1.796 12.060 226 1HD1 ILE 31 HD11 ILE 31 -1.250 -2.020 10.324 227 2HD1 ILE 31 HD12 ILE 31 -1.597 -0.633 11.355 228 3HD1 ILE 31 HD13 ILE 31 -0.152 -1.604 11.638 229 H SER 32 HN SER 32 0.873 0.097 7.499 230 HA SER 32 HA SER 32 3.348 -0.706 6.232 231 1HB SER 32 HB2 SER 32 3.058 -2.520 7.819 232 2HB SER 32 HB1 SER 32 1.415 -2.799 7.240 233 HG SER 32 HG SER 32 2.233 -3.974 5.709 234 H GLY 33 HN GLY 33 3.083 -1.703 4.141 235 1HA GLY 33 HA2 GLY 33 0.433 -1.462 2.887 236 2HA GLY 33 HA1 GLY 33 1.760 -0.517 2.213 237 H THR 34 HN THR 34 0.066 -3.300 1.806 238 HA THR 34 HA THR 34 2.382 -4.794 0.755 239 HB THR 34 HB THR 34 -0.382 -5.781 1.488 240 HG1 THR 34 HG1 THR 34 0.449 -6.163 3.376 241 1HG2 THR 34 HG21 THR 34 0.364 -7.282 -0.160 242 2HG2 THR 34 HG22 THR 34 0.741 -8.040 1.387 243 3HG2 THR 34 HG23 THR 34 2.017 -7.260 0.455 244 H CYS 35 HN CYS 35 2.112 -5.990 -1.243 245 HA CYS 35 HA CYS 35 0.715 -4.393 -3.237 246 1HB CYS 35 HB2 CYS 35 2.577 -6.760 -3.571 247 2HB CYS 35 HB1 CYS 35 1.954 -5.754 -4.880 248 H HIS 36 HN HIS 36 -0.929 -5.083 -4.549 249 HA HIS 36 HA HIS 36 -1.970 -7.804 -4.128 250 1HB HIS 36 HB2 HIS 36 -3.548 -5.238 -3.931 251 2HB HIS 36 HB1 HIS 36 -4.303 -6.808 -4.174 252 HD1 HIS 36 HD1 HIS 36 -3.495 -8.635 -2.208 253 HD2 HIS 36 HD2 HIS 36 -3.351 -4.590 -1.321 254 HE1 HIS 36 HE1 HIS 36 -3.461 -8.504 0.302 255 HE2 HIS 36 HE2 HIS 36 -3.623 -6.041 0.805 256 H ASN 37 HN ASN 37 -1.906 -8.773 -6.027 257 HA ASN 37 HA ASN 37 -2.089 -9.237 -8.233 258 1HB ASN 37 HB2 ASN 37 -4.073 -6.954 -8.160 259 2HB ASN 37 HB1 ASN 37 -3.890 -8.089 -9.496 260 1HD2 ASN 37 HD21 ASN 37 -5.370 -9.602 -9.507 261 2HD2 ASN 37 HD22 ASN 37 -6.123 -10.305 -8.121 262 H TRP 38 HN TRP 38 -2.533 -5.725 -8.414 263 HA TRP 38 HA TRP 38 0.111 -5.420 -9.606 264 1HB TRP 38 HB2 TRP 38 -2.259 -4.208 -11.014 265 2HB TRP 38 HB1 TRP 38 -0.627 -4.399 -11.605 266 HD1 TRP 38 HD1 TRP 38 -3.563 -6.648 -10.662 267 HE1 TRP 38 HE1 TRP 38 -3.640 -8.648 -12.296 268 HE3 TRP 38 HE3 TRP 38 0.606 -5.592 -13.365 269 HZ2 TRP 38 HZ2 TRP 38 -2.105 -9.632 -14.445 270 HZ3 TRP 38 HZ3 TRP 38 1.249 -7.107 -15.201 271 HH2 TRP 38 HH2 TRP 38 -0.081 -9.086 -15.727 272 H LYS 39 HN LYS 39 -1.819 -4.386 -7.232 273 HA LYS 39 HA LYS 39 -0.895 -1.597 -7.491 274 1HB LYS 39 HB2 LYS 39 -3.615 -2.517 -6.563 275 2HB LYS 39 HB1 LYS 39 -3.018 -0.873 -6.382 276 1HG LYS 39 HG2 LYS 39 -2.834 -0.651 -8.794 277 2HG LYS 39 HG1 LYS 39 -3.388 -2.314 -9.002 278 1HD LYS 39 HD2 LYS 39 -5.527 -1.745 -7.978 279 2HD LYS 39 HD1 LYS 39 -4.964 -0.098 -7.699 280 1HE LYS 39 HE2 LYS 39 -6.410 -0.185 -9.658 281 2HE LYS 39 HE1 LYS 39 -4.762 0.253 -10.112 282 1HZ LYS 39 HZ1 LYS 39 -4.372 -1.982 -10.861 283 2HZ LYS 39 HZ2 LYS 39 -5.766 -1.392 -11.616 284 3HZ LYS 39 HZ3 LYS 39 -5.900 -2.484 -10.331 285 H CYS 40 HN CYS 40 -1.499 -0.451 -5.209 286 HA CYS 40 HA CYS 40 -0.308 -2.142 -3.122 287 1HB CYS 40 HB2 CYS 40 0.232 0.717 -3.873 288 2HB CYS 40 HB1 CYS 40 0.575 0.111 -2.257 289 H PHE 41 HN PHE 41 -1.420 -2.375 -1.334 290 HA PHE 41 HA PHE 41 -3.551 -0.428 -0.740 291 1HB PHE 41 HB2 PHE 41 -3.380 -3.361 -0.006 292 2HB PHE 41 HB1 PHE 41 -4.627 -2.258 0.570 293 HD1 PHE 41 HD1 PHE 41 -3.160 -2.758 -2.846 294 HD2 PHE 41 HD2 PHE 41 -6.609 -2.902 -0.359 295 HE1 PHE 41 HE1 PHE 41 -4.545 -3.303 -4.804 296 HE2 PHE 41 HE2 PHE 41 -7.998 -3.446 -2.310 297 HZ PHE 41 HZ PHE 41 -6.967 -3.645 -4.539 298 H CYS 42 HN CYS 42 -3.514 0.580 1.201 299 HA CYS 42 HA CYS 42 -1.203 -0.007 2.925 300 1HB CYS 42 HB2 CYS 42 -2.902 2.495 2.742 301 2HB CYS 42 HB1 CYS 42 -1.414 2.303 3.655 302 H THR 43 HN THR 43 -1.484 -0.329 5.132 303 HA THR 43 HA THR 43 -4.260 -0.767 5.990 304 HB THR 43 HB THR 43 -3.209 -2.234 7.732 305 HG1 THR 43 HG1 THR 43 -0.876 -2.211 6.174 306 1HG2 THR 43 HG21 THR 43 -3.037 -2.831 4.838 307 2HG2 THR 43 HG22 THR 43 -4.028 -3.575 6.094 308 3HG2 THR 43 HG23 THR 43 -2.311 -3.958 5.983 309 H GLN 44 HN GLN 44 -5.119 0.419 7.557 310 HA GLN 44 HA GLN 44 -3.308 1.943 9.316 311 1HB GLN 44 HB2 GLN 44 -4.300 3.447 7.632 312 2HB GLN 44 HB1 GLN 44 -5.907 2.942 8.127 313 1HG GLN 44 HG2 GLN 44 -5.567 3.912 10.324 314 2HG GLN 44 HG1 GLN 44 -3.913 4.344 9.897 315 1HE2 GLN 44 HE21 GLN 44 -6.849 5.614 10.334 316 2HE2 GLN 44 HE22 GLN 44 -6.773 6.951 9.244 317 H ASN 45 HN ASN 45 -3.945 2.217 11.433 318 HA ASN 45 HA ASN 45 -5.580 0.182 12.540 319 1HB ASN 45 HB2 ASN 45 -4.452 2.680 13.832 320 2HB ASN 45 HB1 ASN 45 -5.114 1.291 14.689 321 1HD2 ASN 45 HD21 ASN 45 -2.332 2.723 13.852 322 2HD2 ASN 45 HD22 ASN 45 -1.284 1.352 13.822 323 H CYS 46 HN CYS 46 -7.710 0.192 13.036 324 HA CYS 46 HA CYS 46 -9.151 2.651 13.505 325 1HB CYS 46 HB2 CYS 46 -10.804 2.316 11.724 326 2HB CYS 46 HB1 CYS 46 -9.190 2.558 11.053 Start of MODEL 9 1 1H LYS 1 HT1 LYS 1 -10.274 -5.246 15.014 2 2H LYS 1 HT2 LYS 1 -9.830 -3.630 14.778 3 3H LYS 1 HT3 LYS 1 -8.653 -4.783 15.157 4 HA LYS 1 HA LYS 1 -8.723 -5.772 13.073 5 1HB LYS 1 HB2 LYS 1 -11.326 -4.260 12.698 6 2HB LYS 1 HB1 LYS 1 -10.555 -5.223 11.447 7 1HG LYS 1 HG2 LYS 1 -10.820 -7.230 12.824 8 2HG LYS 1 HG1 LYS 1 -11.605 -6.263 14.076 9 1HD LYS 1 HD2 LYS 1 -13.391 -5.674 12.523 10 2HD LYS 1 HD1 LYS 1 -12.598 -6.591 11.242 11 1HE LYS 1 HE2 LYS 1 -13.654 -7.733 13.830 12 2HE LYS 1 HE1 LYS 1 -14.462 -7.827 12.265 13 1HZ LYS 1 HZ1 LYS 1 -13.353 -9.867 12.545 14 2HZ LYS 1 HZ2 LYS 1 -11.928 -9.133 13.086 15 3HZ LYS 1 HZ3 LYS 1 -12.384 -8.996 11.463 16 H THR 2 HN THR 2 -8.964 -4.436 10.673 17 HA THR 2 HA THR 2 -7.928 -1.739 11.038 18 HB THR 2 HB THR 2 -5.882 -2.986 11.103 19 HG1 THR 2 HG1 THR 2 -5.218 -1.416 9.894 20 1HG2 THR 2 HG21 THR 2 -5.472 -4.865 10.021 21 2HG2 THR 2 HG22 THR 2 -5.810 -4.106 8.466 22 3HG2 THR 2 HG23 THR 2 -7.122 -4.816 9.405 23 H CYS 3 HN CYS 3 -7.474 -0.700 8.874 24 HA CYS 3 HA CYS 3 -9.524 -1.557 6.927 25 1HB CYS 3 HB2 CYS 3 -8.689 1.252 7.676 26 2HB CYS 3 HB1 CYS 3 -9.799 0.855 6.370 27 H GLU 4 HN GLU 4 -8.878 -1.882 4.902 28 HA GLU 4 HA GLU 4 -6.178 -0.989 4.140 29 1HB GLU 4 HB2 GLU 4 -7.748 -3.374 3.152 30 2HB GLU 4 HB1 GLU 4 -6.203 -2.855 2.493 31 1HG GLU 4 HG2 GLU 4 -5.201 -3.197 4.738 32 2HG GLU 4 HG1 GLU 4 -6.741 -3.863 5.274 33 H HIS 5 HN HIS 5 -5.896 0.184 2.325 34 HA HIS 5 HA HIS 5 -8.094 0.450 0.426 35 1HB HIS 5 HB2 HIS 5 -6.923 2.813 1.910 36 2HB HIS 5 HB1 HIS 5 -8.024 2.929 0.543 37 HD1 HIS 5 HD1 HIS 5 -10.331 1.304 1.121 38 HD2 HIS 5 HD2 HIS 5 -8.272 3.165 4.208 39 HE1 HIS 5 HE1 HIS 5 -11.966 1.440 3.025 40 HE2 HIS 5 HE2 HIS 5 -10.749 2.727 4.816 41 H LEU 6 HN LEU 6 -7.495 1.072 -1.615 42 HA LEU 6 HA LEU 6 -4.737 0.721 -2.323 43 1HB LEU 6 HB2 LEU 6 -6.264 -0.190 -3.845 44 2HB LEU 6 HB1 LEU 6 -7.262 1.260 -3.864 45 HG LEU 6 HG LEU 6 -5.401 2.424 -5.073 46 1HD1 LEU 6 HD11 LEU 6 -3.934 0.541 -6.266 47 2HD1 LEU 6 HD12 LEU 6 -4.152 -0.223 -4.691 48 3HD1 LEU 6 HD13 LEU 6 -3.421 1.378 -4.802 49 1HD2 LEU 6 HD21 LEU 6 -5.749 0.618 -7.106 50 2HD2 LEU 6 HD22 LEU 6 -6.844 1.937 -6.693 51 3HD2 LEU 6 HD23 LEU 6 -7.141 0.316 -6.065 52 H ALA 7 HN ALA 7 -3.239 2.224 -2.785 53 HA ALA 7 HA ALA 7 -3.917 5.017 -2.313 54 1HB ALA 7 HB1 ALA 7 -1.341 3.498 -2.493 55 2HB ALA 7 HB2 ALA 7 -1.993 4.429 -1.146 56 3HB ALA 7 HB3 ALA 7 -1.356 5.261 -2.568 57 H ASP 8 HN ASP 8 -4.242 6.462 -3.865 58 HA ASP 8 HA ASP 8 -4.067 5.723 -6.627 59 1HB ASP 8 HB2 ASP 8 -4.763 8.371 -5.349 60 2HB ASP 8 HB1 ASP 8 -5.009 7.954 -7.042 61 H THR 9 HN THR 9 -1.765 7.039 -4.508 62 HA THR 9 HA THR 9 -0.316 8.295 -6.743 63 HB THR 9 HB THR 9 1.071 9.410 -5.017 64 HG1 THR 9 HG1 THR 9 -0.651 8.915 -2.951 65 1HG2 THR 9 HG21 THR 9 -1.883 9.840 -4.967 66 2HG2 THR 9 HG22 THR 9 -0.617 10.835 -5.689 67 3HG2 THR 9 HG23 THR 9 -0.810 10.786 -3.936 68 H TYR 10 HN TYR 10 -0.185 5.782 -7.082 69 HA TYR 10 HA TYR 10 2.236 4.737 -5.775 70 1HB TYR 10 HB2 TYR 10 0.140 3.396 -5.569 71 2HB TYR 10 HB1 TYR 10 0.086 3.248 -7.321 72 HD1 TYR 10 HD1 TYR 10 2.982 2.934 -5.002 73 HD2 TYR 10 HD2 TYR 10 0.399 0.972 -7.757 74 HE1 TYR 10 HE1 TYR 10 4.389 0.924 -4.882 75 HE2 TYR 10 HE2 TYR 10 1.807 -1.046 -7.640 76 HH TYR 10 HH TYR 10 3.780 -1.764 -5.352 77 H ARG 11 HN ARG 11 3.186 2.939 -7.628 78 HA ARG 11 HA ARG 11 3.935 4.670 -9.866 79 1HB ARG 11 HB2 ARG 11 5.396 2.183 -8.999 80 2HB ARG 11 HB1 ARG 11 6.013 3.548 -9.910 81 1HG ARG 11 HG2 ARG 11 5.790 4.945 -7.857 82 2HG ARG 11 HG1 ARG 11 5.329 3.487 -6.977 83 1HD ARG 11 HD2 ARG 11 7.716 3.981 -6.698 84 2HD ARG 11 HD1 ARG 11 7.457 2.445 -7.531 85 HE ARG 11 HE ARG 11 7.764 4.531 -9.417 86 1HH1 ARG 11 HH11 ARG 11 9.640 2.608 -7.201 87 2HH1 ARG 11 HH12 ARG 11 11.104 2.784 -8.102 88 1HH2 ARG 11 HH21 ARG 11 9.669 4.753 -10.585 89 2HH2 ARG 11 HH22 ARG 11 11.119 4.000 -10.024 90 H GLY 12 HN GLY 12 1.492 3.035 -9.808 91 1HA GLY 12 HA2 GLY 12 0.340 1.935 -11.495 92 2HA GLY 12 HA1 GLY 12 1.865 1.701 -12.344 93 H VAL 13 HN VAL 13 2.907 -0.207 -12.173 94 HA VAL 13 HA VAL 13 1.505 -2.377 -10.813 95 HB VAL 13 HB VAL 13 3.849 -2.466 -12.724 96 1HG1 VAL 13 HG11 VAL 13 2.197 -4.642 -11.468 97 2HG1 VAL 13 HG12 VAL 13 3.951 -4.456 -11.469 98 3HG1 VAL 13 HG13 VAL 13 3.109 -4.884 -12.957 99 1HG2 VAL 13 HG21 VAL 13 1.050 -3.320 -13.356 100 2HG2 VAL 13 HG22 VAL 13 2.361 -2.891 -14.454 101 3HG2 VAL 13 HG23 VAL 13 1.541 -1.635 -13.528 102 H CYS 14 HN CYS 14 2.706 -4.038 -9.618 103 HA CYS 14 HA CYS 14 4.945 -2.897 -8.067 104 1HB CYS 14 HB2 CYS 14 3.055 -3.282 -6.622 105 2HB CYS 14 HB1 CYS 14 2.856 -4.922 -7.242 106 H PHE 15 HN PHE 15 6.674 -4.254 -7.452 107 HA PHE 15 HA PHE 15 6.919 -6.762 -8.969 108 1HB PHE 15 HB2 PHE 15 9.116 -4.733 -8.495 109 2HB PHE 15 HB1 PHE 15 9.331 -6.306 -9.261 110 HD1 PHE 15 HD1 PHE 15 7.174 -3.272 -9.627 111 HD2 PHE 15 HD2 PHE 15 9.395 -6.354 -11.545 112 HE1 PHE 15 HE1 PHE 15 6.642 -2.284 -11.815 113 HE2 PHE 15 HE2 PHE 15 8.871 -5.368 -13.738 114 HZ PHE 15 HZ PHE 15 7.496 -3.330 -13.875 115 H THR 16 HN THR 16 8.060 -4.939 -6.124 116 HA THR 16 HA THR 16 8.391 -7.512 -4.733 117 HB THR 16 HB THR 16 10.371 -6.640 -3.574 118 HG1 THR 16 HG1 THR 16 10.982 -4.631 -3.770 119 1HG2 THR 16 HG21 THR 16 11.202 -6.034 -6.313 120 2HG2 THR 16 HG22 THR 16 10.383 -7.582 -6.107 121 3HG2 THR 16 HG23 THR 16 11.828 -7.216 -5.164 122 H ASN 17 HN ASN 17 7.755 -7.579 -2.596 123 HA ASN 17 HA ASN 17 5.668 -6.163 -1.642 124 1HB ASN 17 HB2 ASN 17 7.956 -7.216 0.039 125 2HB ASN 17 HB1 ASN 17 6.334 -6.862 0.621 126 1HD2 ASN 17 HD21 ASN 17 5.157 -8.610 0.901 127 2HD2 ASN 17 HD22 ASN 17 5.242 -10.055 -0.041 128 H ALA 18 HN ALA 18 9.077 -5.295 -1.100 129 HA ALA 18 HA ALA 18 8.829 -3.170 0.620 130 1HB ALA 18 HB1 ALA 18 10.900 -2.262 -0.594 131 2HB ALA 18 HB2 ALA 18 10.773 -3.707 -1.598 132 3HB ALA 18 HB3 ALA 18 11.002 -3.862 0.143 133 H SER 19 HN SER 19 8.060 -3.207 -2.819 134 HA SER 19 HA SER 19 8.123 -0.501 -3.400 135 1HB SER 19 HB2 SER 19 7.695 -2.214 -5.106 136 2HB SER 19 HB1 SER 19 6.106 -2.528 -4.410 137 HG SER 19 HG SER 19 5.520 -1.036 -5.810 138 H CYS 20 HN CYS 20 5.275 -2.320 -2.182 139 HA CYS 20 HA CYS 20 3.676 -0.009 -1.821 140 1HB CYS 20 HB2 CYS 20 3.444 -2.754 -0.600 141 2HB CYS 20 HB1 CYS 20 2.227 -1.494 -0.446 142 H ASP 21 HN ASP 21 5.608 -1.937 0.490 143 HA ASP 21 HA ASP 21 4.939 -0.773 2.873 144 1HB ASP 21 HB2 ASP 21 6.539 -2.610 2.716 145 2HB ASP 21 HB1 ASP 21 7.714 -1.558 1.935 146 H ASP 22 HN ASP 22 7.870 0.284 1.160 147 HA ASP 22 HA ASP 22 8.325 2.690 2.411 148 1HB ASP 22 HB2 ASP 22 9.829 1.656 0.737 149 2HB ASP 22 HB1 ASP 22 8.682 2.048 -0.537 150 H HIS 23 HN HIS 23 6.532 2.139 -0.555 151 HA HIS 23 HA HIS 23 5.574 4.616 -1.168 152 1HB HIS 23 HB2 HIS 23 5.222 2.828 -2.660 153 2HB HIS 23 HB1 HIS 23 4.417 1.857 -1.455 154 HD1 HIS 23 HD1 HIS 23 3.440 5.376 -2.119 155 HD2 HIS 23 HD2 HIS 23 2.156 1.583 -3.000 156 HE1 HIS 23 HE1 HIS 23 1.136 5.671 -3.089 157 HE2 HIS 23 HE2 HIS 23 0.326 3.321 -3.507 158 H CYS 24 HN CYS 24 3.631 2.233 0.642 159 HA CYS 24 HA CYS 24 1.600 3.972 1.390 160 1HB CYS 24 HB2 CYS 24 2.661 1.477 2.684 161 2HB CYS 24 HB1 CYS 24 1.337 2.383 3.407 162 H LYS 25 HN LYS 25 4.562 3.214 3.243 163 HA LYS 25 HA LYS 25 3.979 4.821 5.461 164 1HB LYS 25 HB2 LYS 25 6.643 4.013 4.292 165 2HB LYS 25 HB1 LYS 25 6.475 4.857 5.825 166 1HG LYS 25 HG2 LYS 25 5.146 2.980 6.696 167 2HG LYS 25 HG1 LYS 25 5.362 2.141 5.158 168 1HD LYS 25 HD2 LYS 25 7.771 2.081 5.493 169 2HD LYS 25 HD1 LYS 25 7.605 3.010 6.985 170 1HE LYS 25 HE2 LYS 25 7.919 0.602 7.402 171 2HE LYS 25 HE1 LYS 25 6.381 1.200 8.020 172 1HZ LYS 25 HZ1 LYS 25 6.079 0.293 5.356 173 2HZ LYS 25 HZ2 LYS 25 5.299 -0.248 6.756 174 3HZ LYS 25 HZ3 LYS 25 6.788 -0.933 6.287 175 H ASN 26 HN ASN 26 5.659 5.661 2.453 176 HA ASN 26 HA ASN 26 6.155 8.352 3.353 177 1HB ASN 26 HB2 ASN 26 6.672 6.899 0.773 178 2HB ASN 26 HB1 ASN 26 7.043 8.597 0.977 179 1HD2 ASN 26 HD21 ASN 26 8.409 5.840 0.848 180 2HD2 ASN 26 HD22 ASN 26 9.700 6.050 1.967 181 H LYS 27 HN LYS 27 3.847 6.866 1.073 182 HA LYS 27 HA LYS 27 2.893 9.448 0.202 183 1HB LYS 27 HB2 LYS 27 1.741 6.687 -0.223 184 2HB LYS 27 HB1 LYS 27 1.159 8.153 -1.007 185 1HG LYS 27 HG2 LYS 27 3.931 7.017 -1.269 186 2HG LYS 27 HG1 LYS 27 2.626 6.831 -2.456 187 1HD LYS 27 HD2 LYS 27 2.584 9.235 -2.808 188 2HD LYS 27 HD1 LYS 27 3.789 9.478 -1.540 189 1HE LYS 27 HE2 LYS 27 4.801 9.591 -3.761 190 2HE LYS 27 HE1 LYS 27 5.416 8.212 -2.841 191 1HZ LYS 27 HZ1 LYS 27 3.186 7.964 -4.790 192 2HZ LYS 27 HZ2 LYS 27 4.103 6.729 -4.096 193 3HZ LYS 27 HZ3 LYS 27 4.815 7.758 -5.227 194 H ALA 28 HN ALA 28 1.410 6.829 2.118 195 HA ALA 28 HA ALA 28 -0.287 8.884 3.360 196 1HB ALA 28 HB1 ALA 28 -1.506 6.260 3.427 197 2HB ALA 28 HB2 ALA 28 -1.182 6.782 1.773 198 3HB ALA 28 HB3 ALA 28 -2.154 7.793 2.841 199 H HIS 29 HN HIS 29 1.293 9.051 4.932 200 HA HIS 29 HA HIS 29 2.721 7.575 6.504 201 1HB HIS 29 HB2 HIS 29 2.320 9.987 6.841 202 2HB HIS 29 HB1 HIS 29 0.785 9.612 7.622 203 HD1 HIS 29 HD1 HIS 29 4.437 8.633 8.137 204 HD2 HIS 29 HD2 HIS 29 1.028 9.610 10.302 205 HE1 HIS 29 HE1 HIS 29 5.144 8.607 10.554 206 HE2 HIS 29 HE2 HIS 29 3.090 9.307 11.835 207 H LEU 30 HN LEU 30 1.756 5.499 6.335 208 HA LEU 30 HA LEU 30 -0.052 4.868 8.580 209 1HB LEU 30 HB2 LEU 30 -0.032 3.906 5.774 210 2HB LEU 30 HB1 LEU 30 -0.394 2.713 7.008 211 HG LEU 30 HG LEU 30 -2.325 3.967 7.737 212 1HD1 LEU 30 HD11 LEU 30 -2.993 6.041 6.923 213 2HD1 LEU 30 HD12 LEU 30 -1.867 5.980 5.570 214 3HD1 LEU 30 HD13 LEU 30 -1.266 6.228 7.207 215 1HD2 LEU 30 HD21 LEU 30 -2.306 3.839 4.733 216 2HD2 LEU 30 HD22 LEU 30 -3.707 3.730 5.798 217 3HD2 LEU 30 HD23 LEU 30 -2.501 2.443 5.793 218 H ILE 31 HN ILE 31 0.171 2.216 8.824 219 HA ILE 31 HA ILE 31 2.809 1.923 9.893 220 HB ILE 31 HB ILE 31 1.989 -0.217 10.792 221 1HG1 ILE 31 HG12 ILE 31 -0.595 0.588 9.454 222 2HG1 ILE 31 HG11 ILE 31 0.413 -0.801 9.056 223 1HG2 ILE 31 HG21 ILE 31 0.153 0.871 12.222 224 2HG2 ILE 31 HG22 ILE 31 0.501 2.330 11.293 225 3HG2 ILE 31 HG23 ILE 31 1.769 1.575 12.258 226 1HD1 ILE 31 HD11 ILE 31 -1.102 -1.859 10.348 227 2HD1 ILE 31 HD12 ILE 31 -1.493 -0.408 11.270 228 3HD1 ILE 31 HD13 ILE 31 -0.028 -1.319 11.637 229 H SER 32 HN SER 32 0.932 0.098 7.425 230 HA SER 32 HA SER 32 3.455 -0.611 6.165 231 1HB SER 32 HB2 SER 32 1.571 -2.707 7.243 232 2HB SER 32 HB1 SER 32 2.882 -3.046 6.112 233 HG SER 32 HG SER 32 4.251 -2.945 7.710 234 H GLY 33 HN GLY 33 3.205 -1.769 4.116 235 1HA GLY 33 HA2 GLY 33 0.584 -1.548 2.828 236 2HA GLY 33 HA1 GLY 33 1.908 -0.614 2.140 237 H THR 34 HN THR 34 0.220 -3.280 1.578 238 HA THR 34 HA THR 34 2.568 -4.790 0.614 239 HB THR 34 HB THR 34 -0.113 -5.870 1.509 240 HG1 THR 34 HG1 THR 34 2.477 -5.963 2.666 241 1HG2 THR 34 HG21 THR 34 0.604 -7.391 -0.124 242 2HG2 THR 34 HG22 THR 34 1.112 -8.081 1.417 243 3HG2 THR 34 HG23 THR 34 2.289 -7.271 0.383 244 H CYS 35 HN CYS 35 2.367 -5.916 -1.391 245 HA CYS 35 HA CYS 35 0.758 -4.462 -3.313 246 1HB CYS 35 HB2 CYS 35 2.784 -6.680 -3.676 247 2HB CYS 35 HB1 CYS 35 1.973 -5.843 -5.000 248 H HIS 36 HN HIS 36 -0.966 -5.176 -4.426 249 HA HIS 36 HA HIS 36 -1.826 -7.968 -4.023 250 1HB HIS 36 HB2 HIS 36 -3.508 -5.473 -3.798 251 2HB HIS 36 HB1 HIS 36 -4.201 -7.077 -4.011 252 HD1 HIS 36 HD1 HIS 36 -3.182 -8.841 -2.048 253 HD2 HIS 36 HD2 HIS 36 -3.387 -4.792 -1.198 254 HE1 HIS 36 HE1 HIS 36 -3.169 -8.680 0.459 255 HE2 HIS 36 HE2 HIS 36 -3.549 -6.235 0.943 256 H ASN 37 HN ASN 37 -1.814 -8.948 -5.914 257 HA ASN 37 HA ASN 37 -2.064 -9.434 -8.108 258 1HB ASN 37 HB2 ASN 37 -3.969 -7.080 -8.049 259 2HB ASN 37 HB1 ASN 37 -3.815 -8.212 -9.391 260 1HD2 ASN 37 HD21 ASN 37 -5.411 -9.612 -9.424 261 2HD2 ASN 37 HD22 ASN 37 -6.178 -10.316 -8.048 262 H TRP 38 HN TRP 38 -2.391 -5.913 -8.301 263 HA TRP 38 HA TRP 38 0.290 -5.678 -9.415 264 1HB TRP 38 HB2 TRP 38 -2.086 -4.641 -10.972 265 2HB TRP 38 HB1 TRP 38 -0.405 -4.605 -11.460 266 HD1 TRP 38 HD1 TRP 38 -3.295 -7.008 -11.012 267 HE1 TRP 38 HE1 TRP 38 -2.893 -9.104 -12.467 268 HE3 TRP 38 HE3 TRP 38 1.423 -5.957 -12.596 269 HZ2 TRP 38 HZ2 TRP 38 -0.816 -10.162 -14.061 270 HZ3 TRP 38 HZ3 TRP 38 2.563 -7.555 -14.080 271 HH2 TRP 38 HH2 TRP 38 1.464 -9.615 -14.796 272 H LYS 39 HN LYS 39 -1.847 -4.485 -7.243 273 HA LYS 39 HA LYS 39 -0.736 -1.775 -7.462 274 1HB LYS 39 HB2 LYS 39 -2.929 -0.893 -6.620 275 2HB LYS 39 HB1 LYS 39 -2.948 -1.534 -8.255 276 1HG LYS 39 HG2 LYS 39 -3.911 -3.614 -7.428 277 2HG LYS 39 HG1 LYS 39 -3.898 -2.958 -5.792 278 1HD LYS 39 HD2 LYS 39 -5.453 -1.224 -6.420 279 2HD LYS 39 HD1 LYS 39 -5.380 -1.723 -8.112 280 1HE LYS 39 HE2 LYS 39 -6.373 -3.875 -7.525 281 2HE LYS 39 HE1 LYS 39 -6.422 -3.399 -5.829 282 1HZ LYS 39 HZ1 LYS 39 -8.496 -3.112 -7.417 283 2HZ LYS 39 HZ2 LYS 39 -7.744 -1.635 -7.757 284 3HZ LYS 39 HZ3 LYS 39 -8.175 -2.016 -6.165 285 H CYS 40 HN CYS 40 -1.375 -0.493 -5.296 286 HA CYS 40 HA CYS 40 -0.448 -2.203 -3.094 287 1HB CYS 40 HB2 CYS 40 0.072 0.696 -3.726 288 2HB CYS 40 HB1 CYS 40 0.349 0.019 -2.126 289 H PHE 41 HN PHE 41 -1.513 -2.376 -1.294 290 HA PHE 41 HA PHE 41 -3.768 -0.547 -0.762 291 1HB PHE 41 HB2 PHE 41 -3.432 -3.441 0.088 292 2HB PHE 41 HB1 PHE 41 -4.733 -2.385 0.623 293 HD1 PHE 41 HD1 PHE 41 -3.266 -3.062 -2.753 294 HD2 PHE 41 HD2 PHE 41 -6.697 -3.117 -0.245 295 HE1 PHE 41 HE1 PHE 41 -4.637 -3.824 -4.644 296 HE2 PHE 41 HE2 PHE 41 -8.072 -3.871 -2.135 297 HZ PHE 41 HZ PHE 41 -7.043 -4.224 -4.341 298 H CYS 42 HN CYS 42 -3.668 0.561 1.154 299 HA CYS 42 HA CYS 42 -1.364 -0.055 2.890 300 1HB CYS 42 HB2 CYS 42 -2.965 2.507 2.619 301 2HB CYS 42 HB1 CYS 42 -1.551 2.271 3.635 302 H THR 43 HN THR 43 -1.670 -0.339 5.093 303 HA THR 43 HA THR 43 -4.461 -0.711 5.931 304 HB THR 43 HB THR 43 -3.523 -2.212 7.640 305 HG1 THR 43 HG1 THR 43 -1.460 -1.201 7.794 306 1HG2 THR 43 HG21 THR 43 -2.228 -3.752 5.854 307 2HG2 THR 43 HG22 THR 43 -3.156 -2.707 4.780 308 3HG2 THR 43 HG23 THR 43 -3.982 -3.668 6.008 309 H GLN 44 HN GLN 44 -5.295 0.520 7.477 310 HA GLN 44 HA GLN 44 -3.458 2.070 9.187 311 1HB GLN 44 HB2 GLN 44 -4.420 3.571 7.531 312 2HB GLN 44 HB1 GLN 44 -6.041 3.019 7.930 313 1HG GLN 44 HG2 GLN 44 -5.781 3.942 10.192 314 2HG GLN 44 HG1 GLN 44 -4.177 4.518 9.761 315 1HE2 GLN 44 HE21 GLN 44 -6.018 4.877 7.042 316 2HE2 GLN 44 HE22 GLN 44 -6.535 6.500 7.281 317 H ASN 45 HN ASN 45 -3.929 2.166 11.316 318 HA ASN 45 HA ASN 45 -5.583 0.226 12.472 319 1HB ASN 45 HB2 ASN 45 -4.522 2.778 13.719 320 2HB ASN 45 HB1 ASN 45 -5.125 1.374 14.595 321 1HD2 ASN 45 HD21 ASN 45 -2.402 2.898 13.775 322 2HD2 ASN 45 HD22 ASN 45 -1.306 1.567 13.730 323 H CYS 46 HN CYS 46 -7.745 0.176 12.454 324 HA CYS 46 HA CYS 46 -9.231 2.646 12.996 325 1HB CYS 46 HB2 CYS 46 -10.840 2.173 11.210 326 2HB CYS 46 HB1 CYS 46 -9.218 2.394 10.555 Start of MODEL 10 1 1H LYS 1 HT1 LYS 1 -10.867 -4.101 15.086 2 2H LYS 1 HT2 LYS 1 -9.412 -4.961 15.155 3 3H LYS 1 HT3 LYS 1 -10.885 -5.788 15.237 4 HA LYS 1 HA LYS 1 -9.949 -6.059 13.050 5 1HB LYS 1 HB2 LYS 1 -12.318 -4.169 13.147 6 2HB LYS 1 HB1 LYS 1 -11.854 -5.113 11.740 7 1HG LYS 1 HG2 LYS 1 -12.269 -7.179 12.987 8 2HG LYS 1 HG1 LYS 1 -12.744 -6.227 14.398 9 1HD LYS 1 HD2 LYS 1 -14.593 -5.255 13.158 10 2HD LYS 1 HD1 LYS 1 -14.091 -6.104 11.696 11 1HE LYS 1 HE2 LYS 1 -15.969 -7.239 12.723 12 2HE LYS 1 HE1 LYS 1 -14.528 -8.253 12.811 13 1HZ LYS 1 HZ1 LYS 1 -15.278 -6.501 15.071 14 2HZ LYS 1 HZ2 LYS 1 -14.326 -7.899 15.085 15 3HZ LYS 1 HZ3 LYS 1 -16.001 -8.021 14.887 16 H THR 2 HN THR 2 -9.120 -5.158 11.101 17 HA THR 2 HA THR 2 -8.408 -2.302 11.238 18 HB THR 2 HB THR 2 -6.217 -2.849 10.201 19 HG1 THR 2 HG1 THR 2 -6.385 -4.794 9.297 20 1HG2 THR 2 HG21 THR 2 -5.978 -2.533 12.485 21 2HG2 THR 2 HG22 THR 2 -5.221 -4.098 12.189 22 3HG2 THR 2 HG23 THR 2 -6.841 -4.020 12.879 23 H CYS 3 HN CYS 3 -8.542 -1.159 9.348 24 HA CYS 3 HA CYS 3 -9.534 -2.669 7.016 25 1HB CYS 3 HB2 CYS 3 -10.642 -0.491 6.375 26 2HB CYS 3 HB1 CYS 3 -11.260 -1.238 7.846 27 H GLU 4 HN GLU 4 -8.515 -2.490 5.090 28 HA GLU 4 HA GLU 4 -6.234 -0.634 4.985 29 1HB GLU 4 HB2 GLU 4 -5.166 -2.126 3.415 30 2HB GLU 4 HB1 GLU 4 -5.632 -3.033 4.845 31 1HG GLU 4 HG2 GLU 4 -7.508 -3.993 3.681 32 2HG GLU 4 HG1 GLU 4 -7.189 -2.991 2.266 33 H HIS 5 HN HIS 5 -5.696 0.278 2.892 34 HA HIS 5 HA HIS 5 -7.874 0.436 0.954 35 1HB HIS 5 HB2 HIS 5 -6.726 2.882 2.322 36 2HB HIS 5 HB1 HIS 5 -7.842 2.910 0.963 37 HD1 HIS 5 HD1 HIS 5 -10.155 1.355 1.637 38 HD2 HIS 5 HD2 HIS 5 -8.035 3.317 4.622 39 HE1 HIS 5 HE1 HIS 5 -11.761 1.584 3.563 40 HE2 HIS 5 HE2 HIS 5 -10.432 2.714 5.382 41 H LEU 6 HN LEU 6 -7.234 0.972 -1.101 42 HA LEU 6 HA LEU 6 -4.397 0.757 -1.660 43 1HB LEU 6 HB2 LEU 6 -5.932 -0.545 -2.974 44 2HB LEU 6 HB1 LEU 6 -6.852 0.886 -3.411 45 HG LEU 6 HG LEU 6 -4.017 0.327 -4.293 46 1HD1 LEU 6 HD11 LEU 6 -6.088 0.300 -6.309 47 2HD1 LEU 6 HD12 LEU 6 -6.357 -0.931 -5.076 48 3HD1 LEU 6 HD13 LEU 6 -4.836 -0.889 -5.961 49 1HD2 LEU 6 HD21 LEU 6 -5.224 2.070 -6.061 50 2HD2 LEU 6 HD22 LEU 6 -4.056 2.505 -4.815 51 3HD2 LEU 6 HD23 LEU 6 -5.784 2.638 -4.491 52 H ALA 7 HN ALA 7 -3.082 2.385 -2.280 53 HA ALA 7 HA ALA 7 -4.148 5.088 -2.139 54 1HB ALA 7 HB1 ALA 7 -1.319 4.977 -2.689 55 2HB ALA 7 HB2 ALA 7 -1.750 3.906 -1.354 56 3HB ALA 7 HB3 ALA 7 -2.172 5.617 -1.284 57 H ASP 8 HN ASP 8 -4.641 6.304 -3.831 58 HA ASP 8 HA ASP 8 -4.231 5.376 -6.503 59 1HB ASP 8 HB2 ASP 8 -5.342 7.987 -5.469 60 2HB ASP 8 HB1 ASP 8 -5.362 7.488 -7.158 61 H THR 9 HN THR 9 -2.060 6.855 -4.491 62 HA THR 9 HA THR 9 -0.756 8.307 -6.701 63 HB THR 9 HB THR 9 0.588 9.434 -4.961 64 HG1 THR 9 HG1 THR 9 -1.073 8.529 -2.922 65 1HG2 THR 9 HG21 THR 9 -1.066 10.908 -5.262 66 2HG2 THR 9 HG22 THR 9 -1.571 10.387 -3.655 67 3HG2 THR 9 HG23 THR 9 -2.330 9.692 -5.087 68 H TYR 10 HN TYR 10 -0.667 5.675 -6.899 69 HA TYR 10 HA TYR 10 1.954 4.817 -5.888 70 1HB TYR 10 HB2 TYR 10 0.009 3.403 -5.266 71 2HB TYR 10 HB1 TYR 10 -0.374 3.182 -6.966 72 HD1 TYR 10 HD1 TYR 10 -0.012 0.982 -7.540 73 HD2 TYR 10 HD2 TYR 10 2.838 2.955 -5.070 74 HE1 TYR 10 HE1 TYR 10 1.469 -0.980 -7.683 75 HE2 TYR 10 HE2 TYR 10 4.315 0.996 -5.204 76 HH TYR 10 HH TYR 10 4.646 -0.911 -6.944 77 H ARG 11 HN ARG 11 2.574 2.873 -7.799 78 HA ARG 11 HA ARG 11 3.073 4.498 -10.173 79 1HB ARG 11 HB2 ARG 11 4.520 1.969 -9.393 80 2HB ARG 11 HB1 ARG 11 5.089 3.287 -10.409 81 1HG ARG 11 HG2 ARG 11 5.137 4.739 -8.370 82 2HG ARG 11 HG1 ARG 11 4.736 3.313 -7.414 83 1HD ARG 11 HD2 ARG 11 7.155 3.784 -7.426 84 2HD ARG 11 HD1 ARG 11 6.764 2.209 -8.115 85 HE ARG 11 HE ARG 11 6.908 4.103 -10.188 86 1HH1 ARG 11 HH11 ARG 11 9.014 2.492 -7.934 87 2HH1 ARG 11 HH12 ARG 11 10.389 2.565 -8.976 88 1HH2 ARG 11 HH21 ARG 11 8.711 4.198 -11.554 89 2HH2 ARG 11 HH22 ARG 11 10.219 3.540 -11.026 90 H GLY 12 HN GLY 12 3.963 2.068 -11.620 91 1HA GLY 12 HA2 GLY 12 1.389 1.317 -12.705 92 2HA GLY 12 HA1 GLY 12 2.968 0.819 -13.311 93 H VAL 13 HN VAL 13 3.519 -1.251 -12.995 94 HA VAL 13 HA VAL 13 1.841 -2.888 -11.255 95 HB VAL 13 HB VAL 13 3.985 -3.732 -13.212 96 1HG1 VAL 13 HG11 VAL 13 2.090 -5.266 -11.468 97 2HG1 VAL 13 HG12 VAL 13 3.821 -5.499 -11.705 98 3HG1 VAL 13 HG13 VAL 13 2.688 -5.949 -12.980 99 1HG2 VAL 13 HG21 VAL 13 0.985 -3.581 -13.450 100 2HG2 VAL 13 HG22 VAL 13 2.013 -4.473 -14.571 101 3HG2 VAL 13 HG23 VAL 13 2.188 -2.726 -14.416 102 H CYS 14 HN CYS 14 2.577 -4.159 -9.555 103 HA CYS 14 HA CYS 14 5.167 -3.330 -8.421 104 1HB CYS 14 HB2 CYS 14 3.304 -3.116 -6.885 105 2HB CYS 14 HB1 CYS 14 2.851 -4.802 -7.141 106 H PHE 15 HN PHE 15 6.685 -4.814 -7.597 107 HA PHE 15 HA PHE 15 6.429 -7.576 -8.575 108 1HB PHE 15 HB2 PHE 15 8.955 -5.911 -8.676 109 2HB PHE 15 HB1 PHE 15 8.822 -7.608 -9.132 110 HD1 PHE 15 HD1 PHE 15 7.099 -4.389 -9.937 111 HD2 PHE 15 HD2 PHE 15 8.763 -8.032 -11.366 112 HE1 PHE 15 HE1 PHE 15 6.558 -3.724 -12.239 113 HE2 PHE 15 HE2 PHE 15 8.228 -7.374 -13.676 114 HZ PHE 15 HZ PHE 15 7.123 -5.218 -14.115 115 H THR 16 HN THR 16 8.141 -5.419 -6.309 116 HA THR 16 HA THR 16 8.475 -7.727 -4.499 117 HB THR 16 HB THR 16 10.441 -6.582 -3.575 118 HG1 THR 16 HG1 THR 16 10.810 -4.564 -4.012 119 1HG2 THR 16 HG21 THR 16 11.245 -6.282 -6.331 120 2HG2 THR 16 HG22 THR 16 10.352 -7.779 -6.063 121 3HG2 THR 16 HG23 THR 16 11.793 -7.430 -5.110 122 H ASN 17 HN ASN 17 7.721 -7.593 -2.448 123 HA ASN 17 HA ASN 17 5.679 -6.037 -1.631 124 1HB ASN 17 HB2 ASN 17 7.927 -7.031 0.142 125 2HB ASN 17 HB1 ASN 17 6.324 -6.558 0.693 126 1HD2 ASN 17 HD21 ASN 17 5.096 -8.241 1.140 127 2HD2 ASN 17 HD22 ASN 17 5.102 -9.751 0.302 128 H ALA 18 HN ALA 18 9.110 -5.237 -1.124 129 HA ALA 18 HA ALA 18 9.015 -2.975 0.383 130 1HB ALA 18 HB1 ALA 18 11.056 -2.240 -0.809 131 2HB ALA 18 HB2 ALA 18 10.767 -3.489 -2.019 132 3HB ALA 18 HB3 ALA 18 11.099 -3.942 -0.348 133 H SER 19 HN SER 19 8.046 -3.248 -2.994 134 HA SER 19 HA SER 19 8.047 -0.619 -3.832 135 1HB SER 19 HB2 SER 19 5.978 -2.749 -4.422 136 2HB SER 19 HB1 SER 19 6.170 -1.251 -5.331 137 HG SER 19 HG SER 19 8.031 -3.387 -5.088 138 H CYS 20 HN CYS 20 5.555 -2.259 -1.893 139 HA CYS 20 HA CYS 20 3.933 0.139 -1.770 140 1HB CYS 20 HB2 CYS 20 3.599 -2.575 -0.517 141 2HB CYS 20 HB1 CYS 20 2.438 -1.267 -0.365 142 H ASP 21 HN ASP 21 5.833 -1.837 0.494 143 HA ASP 21 HA ASP 21 5.294 -0.679 2.901 144 1HB ASP 21 HB2 ASP 21 6.896 -2.527 2.594 145 2HB ASP 21 HB1 ASP 21 8.040 -1.422 1.855 146 H ASP 22 HN ASP 22 8.047 0.417 0.912 147 HA ASP 22 HA ASP 22 8.559 2.811 2.225 148 1HB ASP 22 HB2 ASP 22 10.068 1.908 0.542 149 2HB ASP 22 HB1 ASP 22 8.852 2.108 -0.712 150 H HIS 23 HN HIS 23 6.727 2.313 -0.728 151 HA HIS 23 HA HIS 23 5.702 4.761 -1.265 152 1HB HIS 23 HB2 HIS 23 5.362 2.925 -2.739 153 2HB HIS 23 HB1 HIS 23 4.505 2.006 -1.523 154 HD1 HIS 23 HD1 HIS 23 3.799 5.534 -2.609 155 HD2 HIS 23 HD2 HIS 23 2.126 1.794 -2.765 156 HE1 HIS 23 HE1 HIS 23 1.433 5.900 -3.417 157 HE2 HIS 23 HE2 HIS 23 0.383 3.609 -3.361 158 H CYS 24 HN CYS 24 3.825 2.344 0.587 159 HA CYS 24 HA CYS 24 1.795 4.026 1.412 160 1HB CYS 24 HB2 CYS 24 3.011 1.588 2.639 161 2HB CYS 24 HB1 CYS 24 1.783 2.485 3.525 162 H LYS 25 HN LYS 25 4.778 3.332 3.269 163 HA LYS 25 HA LYS 25 4.214 5.041 5.406 164 1HB LYS 25 HB2 LYS 25 6.855 4.092 4.301 165 2HB LYS 25 HB1 LYS 25 6.700 4.986 5.809 166 1HG LYS 25 HG2 LYS 25 5.365 3.226 6.774 167 2HG LYS 25 HG1 LYS 25 5.341 2.358 5.238 168 1HD LYS 25 HD2 LYS 25 7.751 2.033 5.362 169 2HD LYS 25 HD1 LYS 25 7.810 2.947 6.871 170 1HE LYS 25 HE2 LYS 25 6.596 1.286 8.036 171 2HE LYS 25 HE1 LYS 25 6.128 0.476 6.540 172 1HZ LYS 25 HZ1 LYS 25 8.959 0.713 7.377 173 2HZ LYS 25 HZ2 LYS 25 8.290 -0.322 6.212 174 3HZ LYS 25 HZ3 LYS 25 7.985 -0.584 7.862 175 H ASN 26 HN ASN 26 5.967 5.752 2.398 176 HA ASN 26 HA ASN 26 6.503 8.465 3.221 177 1HB ASN 26 HB2 ASN 26 7.036 6.910 0.711 178 2HB ASN 26 HB1 ASN 26 7.360 8.627 0.804 179 1HD2 ASN 26 HD21 ASN 26 8.872 5.970 0.751 180 2HD2 ASN 26 HD22 ASN 26 10.140 6.268 1.884 181 H LYS 27 HN LYS 27 4.099 6.912 1.135 182 HA LYS 27 HA LYS 27 3.147 9.495 0.185 183 1HB LYS 27 HB2 LYS 27 2.136 6.692 -0.289 184 2HB LYS 27 HB1 LYS 27 1.422 8.129 -1.009 185 1HG LYS 27 HG2 LYS 27 4.261 7.213 -1.397 186 2HG LYS 27 HG1 LYS 27 2.922 6.958 -2.533 187 1HD LYS 27 HD2 LYS 27 2.665 9.393 -2.750 188 2HD LYS 27 HD1 LYS 27 4.005 9.637 -1.626 189 1HE LYS 27 HE2 LYS 27 4.771 9.901 -3.909 190 2HE LYS 27 HE1 LYS 27 5.500 8.467 -3.186 191 1HZ LYS 27 HZ1 LYS 27 3.004 8.018 -4.625 192 2HZ LYS 27 HZ2 LYS 27 4.432 7.102 -4.613 193 3HZ LYS 27 HZ3 LYS 27 4.329 8.482 -5.584 194 H ALA 28 HN ALA 28 1.832 6.858 2.193 195 HA ALA 28 HA ALA 28 -0.032 8.830 3.336 196 1HB ALA 28 HB1 ALA 28 -1.067 6.142 3.527 197 2HB ALA 28 HB2 ALA 28 -0.748 6.574 1.846 198 3HB ALA 28 HB3 ALA 28 -1.804 7.585 2.832 199 H HIS 29 HN HIS 29 1.558 9.158 4.899 200 HA HIS 29 HA HIS 29 3.067 7.798 6.519 201 1HB HIS 29 HB2 HIS 29 2.602 10.204 6.742 202 2HB HIS 29 HB1 HIS 29 1.071 9.833 7.532 203 HD1 HIS 29 HD1 HIS 29 4.761 9.064 8.125 204 HD2 HIS 29 HD2 HIS 29 1.276 9.926 10.218 205 HE1 HIS 29 HE1 HIS 29 5.440 9.170 10.548 206 HE2 HIS 29 HE2 HIS 29 3.324 9.747 11.789 207 H LEU 30 HN LEU 30 2.049 5.664 6.384 208 HA LEU 30 HA LEU 30 0.416 5.111 8.777 209 1HB LEU 30 HB2 LEU 30 0.168 4.063 6.009 210 2HB LEU 30 HB1 LEU 30 -0.156 2.946 7.321 211 HG LEU 30 HG LEU 30 -2.221 3.914 6.512 212 1HD1 LEU 30 HD11 LEU 30 -2.731 3.555 8.654 213 2HD1 LEU 30 HD12 LEU 30 -2.670 5.312 8.798 214 3HD1 LEU 30 HD13 LEU 30 -1.267 4.342 9.242 215 1HD2 LEU 30 HD21 LEU 30 -1.562 5.964 5.561 216 2HD2 LEU 30 HD22 LEU 30 -0.891 6.544 7.085 217 3HD2 LEU 30 HD23 LEU 30 -2.635 6.367 6.900 218 H ILE 31 HN ILE 31 0.588 2.513 9.155 219 HA ILE 31 HA ILE 31 3.250 2.159 10.030 220 HB ILE 31 HB ILE 31 2.508 -0.054 10.832 221 1HG1 ILE 31 HG12 ILE 31 -0.188 0.794 9.766 222 2HG1 ILE 31 HG11 ILE 31 0.831 -0.473 9.080 223 1HG2 ILE 31 HG21 ILE 31 0.883 0.860 12.481 224 2HG2 ILE 31 HG22 ILE 31 0.848 2.351 11.540 225 3HG2 ILE 31 HG23 ILE 31 2.349 1.821 12.300 226 1HD1 ILE 31 HD11 ILE 31 -0.574 -1.726 10.350 227 2HD1 ILE 31 HD12 ILE 31 -0.788 -0.464 11.558 228 3HD1 ILE 31 HD13 ILE 31 0.693 -1.420 11.534 229 H SER 32 HN SER 32 1.390 0.351 7.521 230 HA SER 32 HA SER 32 3.907 -0.192 6.167 231 1HB SER 32 HB2 SER 32 2.191 -2.446 7.237 232 2HB SER 32 HB1 SER 32 3.532 -2.652 6.109 233 HG SER 32 HG SER 32 4.450 -2.962 8.053 234 H GLY 33 HN GLY 33 3.523 -1.610 4.146 235 1HA GLY 33 HA2 GLY 33 0.842 -1.311 2.994 236 2HA GLY 33 HA1 GLY 33 2.155 -0.447 2.199 237 H THR 34 HN THR 34 0.341 -2.897 1.536 238 HA THR 34 HA THR 34 2.573 -4.608 0.622 239 HB THR 34 HB THR 34 -0.189 -5.522 1.450 240 HG1 THR 34 HG1 THR 34 0.793 -6.336 3.224 241 1HG2 THR 34 HG21 THR 34 0.433 -7.074 -0.163 242 2HG2 THR 34 HG22 THR 34 0.974 -7.801 1.350 243 3HG2 THR 34 HG23 THR 34 2.135 -7.004 0.292 244 H CYS 35 HN CYS 35 2.359 -5.646 -1.401 245 HA CYS 35 HA CYS 35 0.833 -4.110 -3.323 246 1HB CYS 35 HB2 CYS 35 2.809 -6.372 -3.681 247 2HB CYS 35 HB1 CYS 35 1.999 -5.550 -5.016 248 H HIS 36 HN HIS 36 -0.869 -4.737 -4.477 249 HA HIS 36 HA HIS 36 -1.826 -7.508 -4.220 250 1HB HIS 36 HB2 HIS 36 -3.459 -4.985 -3.890 251 2HB HIS 36 HB1 HIS 36 -4.178 -6.558 -4.214 252 HD1 HIS 36 HD1 HIS 36 -3.272 -8.453 -2.328 253 HD2 HIS 36 HD2 HIS 36 -3.421 -4.459 -1.255 254 HE1 HIS 36 HE1 HIS 36 -3.423 -8.442 0.182 255 HE2 HIS 36 HE2 HIS 36 -3.828 -6.016 0.771 256 H ASN 37 HN ASN 37 -2.418 -8.405 -6.107 257 HA ASN 37 HA ASN 37 -2.463 -8.739 -8.332 258 1HB ASN 37 HB2 ASN 37 -4.232 -7.251 -9.494 259 2HB ASN 37 HB1 ASN 37 -4.737 -8.298 -8.172 260 1HD2 ASN 37 HD21 ASN 37 -5.071 -5.294 -9.434 261 2HD2 ASN 37 HD22 ASN 37 -5.572 -4.444 -8.023 262 H TRP 38 HN TRP 38 -2.715 -5.207 -8.502 263 HA TRP 38 HA TRP 38 -0.051 -5.022 -9.651 264 1HB TRP 38 HB2 TRP 38 -2.286 -3.751 -11.213 265 2HB TRP 38 HB1 TRP 38 -0.654 -4.091 -11.722 266 HD1 TRP 38 HD1 TRP 38 -3.802 -6.070 -10.829 267 HE1 TRP 38 HE1 TRP 38 -3.973 -8.109 -12.417 268 HE3 TRP 38 HE3 TRP 38 0.550 -5.441 -13.383 269 HZ2 TRP 38 HZ2 TRP 38 -2.440 -9.278 -14.472 270 HZ3 TRP 38 HZ3 TRP 38 1.144 -7.056 -15.149 271 HH2 TRP 38 HH2 TRP 38 -0.323 -8.938 -15.679 272 H LYS 39 HN LYS 39 -1.417 -4.079 -7.196 273 HA LYS 39 HA LYS 39 -0.766 -1.236 -7.462 274 1HB LYS 39 HB2 LYS 39 -3.437 -2.266 -6.511 275 2HB LYS 39 HB1 LYS 39 -2.891 -0.609 -6.293 276 1HG LYS 39 HG2 LYS 39 -2.713 -0.380 -8.746 277 2HG LYS 39 HG1 LYS 39 -3.363 -2.016 -8.914 278 1HD LYS 39 HD2 LYS 39 -5.409 -1.340 -7.782 279 2HD LYS 39 HD1 LYS 39 -4.759 0.284 -7.552 280 1HE LYS 39 HE2 LYS 39 -4.631 0.523 -10.021 281 2HE LYS 39 HE1 LYS 39 -5.417 -1.051 -10.172 282 1HZ LYS 39 HZ1 LYS 39 -7.374 -0.201 -9.111 283 2HZ LYS 39 HZ2 LYS 39 -6.961 0.873 -10.352 284 3HZ LYS 39 HZ3 LYS 39 -6.616 1.268 -8.744 285 H CYS 40 HN CYS 40 -1.343 -0.166 -5.139 286 HA CYS 40 HA CYS 40 -0.148 -1.908 -3.094 287 1HB CYS 40 HB2 CYS 40 0.411 0.951 -3.786 288 2HB CYS 40 HB1 CYS 40 0.652 0.371 -2.141 289 H PHE 41 HN PHE 41 -1.184 -2.134 -1.252 290 HA PHE 41 HA PHE 41 -3.356 -0.245 -0.612 291 1HB PHE 41 HB2 PHE 41 -3.201 -3.205 0.016 292 2HB PHE 41 HB1 PHE 41 -4.472 -2.120 0.568 293 HD1 PHE 41 HD1 PHE 41 -2.900 -2.449 -2.815 294 HD2 PHE 41 HD2 PHE 41 -6.398 -2.853 -0.430 295 HE1 PHE 41 HE1 PHE 41 -4.207 -2.961 -4.828 296 HE2 PHE 41 HE2 PHE 41 -7.712 -3.366 -2.443 297 HZ PHE 41 HZ PHE 41 -6.616 -3.425 -4.647 298 H CYS 42 HN CYS 42 -3.372 0.603 1.437 299 HA CYS 42 HA CYS 42 -1.052 -0.103 3.108 300 1HB CYS 42 HB2 CYS 42 -2.734 2.414 3.088 301 2HB CYS 42 HB1 CYS 42 -1.293 2.138 4.052 302 H THR 43 HN THR 43 -1.387 -0.060 5.463 303 HA THR 43 HA THR 43 -4.048 -1.097 6.161 304 HB THR 43 HB THR 43 -2.864 -2.177 8.043 305 HG1 THR 43 HG1 THR 43 -1.163 -0.658 8.225 306 1HG2 THR 43 HG21 THR 43 -2.737 -3.847 6.581 307 2HG2 THR 43 HG22 THR 43 -1.060 -3.348 6.352 308 3HG2 THR 43 HG23 THR 43 -2.312 -2.764 5.256 309 H GLN 44 HN GLN 44 -5.327 0.078 7.462 310 HA GLN 44 HA GLN 44 -4.056 2.038 9.251 311 1HB GLN 44 HB2 GLN 44 -4.881 3.226 7.292 312 2HB GLN 44 HB1 GLN 44 -6.471 2.502 7.492 313 1HG GLN 44 HG2 GLN 44 -6.769 3.687 9.591 314 2HG GLN 44 HG1 GLN 44 -5.154 4.378 9.445 315 1HE2 GLN 44 HE21 GLN 44 -5.204 6.411 8.835 316 2HE2 GLN 44 HE22 GLN 44 -6.335 7.121 7.743 317 H ASN 45 HN ASN 45 -4.846 2.166 11.267 318 HA ASN 45 HA ASN 45 -6.644 0.149 12.185 319 1HB ASN 45 HB2 ASN 45 -5.465 2.551 13.603 320 2HB ASN 45 HB1 ASN 45 -6.351 1.251 14.392 321 1HD2 ASN 45 HD21 ASN 45 -3.357 2.373 13.820 322 2HD2 ASN 45 HD22 ASN 45 -2.468 0.900 13.921 323 H CYS 46 HN CYS 46 -8.807 0.255 12.491 324 HA CYS 46 HA CYS 46 -10.135 2.825 12.792 325 1HB CYS 46 HB2 CYS 46 -11.753 2.380 10.983 326 2HB CYS 46 HB1 CYS 46 -10.117 2.548 10.360 Start of MODEL 11 1 1H LYS 1 HT1 LYS 1 -9.574 -5.465 14.542 2 2H LYS 1 HT2 LYS 1 -10.974 -6.361 14.230 3 3H LYS 1 HT3 LYS 1 -11.015 -4.671 14.146 4 HA LYS 1 HA LYS 1 -9.409 -6.416 12.356 5 1HB LYS 1 HB2 LYS 1 -12.036 -4.974 11.902 6 2HB LYS 1 HB1 LYS 1 -11.094 -5.743 10.634 7 1HG LYS 1 HG2 LYS 1 -11.397 -7.914 11.711 8 2HG LYS 1 HG1 LYS 1 -12.331 -7.147 12.999 9 1HD LYS 1 HD2 LYS 1 -13.997 -6.413 11.366 10 2HD LYS 1 HD1 LYS 1 -13.060 -7.151 10.067 11 1HE LYS 1 HE2 LYS 1 -14.289 -8.623 12.400 12 2HE LYS 1 HE1 LYS 1 -14.963 -8.546 10.771 13 1HZ LYS 1 HZ1 LYS 1 -12.839 -9.582 9.988 14 2HZ LYS 1 HZ2 LYS 1 -13.794 -10.585 10.960 15 3HZ LYS 1 HZ3 LYS 1 -12.422 -9.839 11.609 16 H THR 2 HN THR 2 -9.166 -4.990 10.199 17 HA THR 2 HA THR 2 -8.447 -2.233 10.913 18 HB THR 2 HB THR 2 -6.298 -2.457 9.701 19 HG1 THR 2 HG1 THR 2 -5.602 -4.407 9.001 20 1HG2 THR 2 HG21 THR 2 -6.732 -3.181 12.270 21 2HG2 THR 2 HG22 THR 2 -5.146 -3.097 11.502 22 3HG2 THR 2 HG23 THR 2 -5.987 -4.642 11.620 23 H CYS 3 HN CYS 3 -7.948 -0.899 8.940 24 HA CYS 3 HA CYS 3 -9.643 -1.797 6.694 25 1HB CYS 3 HB2 CYS 3 -9.200 1.001 7.748 26 2HB CYS 3 HB1 CYS 3 -10.090 0.624 6.277 27 H GLU 4 HN GLU 4 -8.817 -1.850 4.714 28 HA GLU 4 HA GLU 4 -6.174 -0.624 4.259 29 1HB GLU 4 HB2 GLU 4 -7.300 -3.165 3.073 30 2HB GLU 4 HB1 GLU 4 -5.799 -2.409 2.560 31 1HG GLU 4 HG2 GLU 4 -4.910 -2.717 4.843 32 2HG GLU 4 HG1 GLU 4 -6.390 -3.573 5.269 33 H HIS 5 HN HIS 5 -5.858 0.568 2.450 34 HA HIS 5 HA HIS 5 -7.902 0.608 0.372 35 1HB HIS 5 HB2 HIS 5 -7.104 3.088 1.909 36 2HB HIS 5 HB1 HIS 5 -8.052 3.091 0.426 37 HD1 HIS 5 HD1 HIS 5 -10.237 1.236 0.780 38 HD2 HIS 5 HD2 HIS 5 -8.745 3.369 4.017 39 HE1 HIS 5 HE1 HIS 5 -12.079 1.227 2.493 40 HE2 HIS 5 HE2 HIS 5 -11.156 2.528 4.445 41 H LEU 6 HN LEU 6 -7.238 1.472 -1.596 42 HA LEU 6 HA LEU 6 -4.377 1.337 -2.050 43 1HB LEU 6 HB2 LEU 6 -5.902 0.141 -3.532 44 2HB LEU 6 HB1 LEU 6 -6.719 1.637 -3.940 45 HG LEU 6 HG LEU 6 -3.819 1.122 -4.602 46 1HD1 LEU 6 HD11 LEU 6 -4.982 0.895 -6.963 47 2HD1 LEU 6 HD12 LEU 6 -6.325 0.313 -5.980 48 3HD1 LEU 6 HD13 LEU 6 -4.762 -0.498 -5.906 49 1HD2 LEU 6 HD21 LEU 6 -5.043 2.818 -6.439 50 2HD2 LEU 6 HD22 LEU 6 -3.890 3.270 -5.184 51 3HD2 LEU 6 HD23 LEU 6 -5.623 3.360 -4.867 52 H ALA 7 HN ALA 7 -3.075 3.032 -2.436 53 HA ALA 7 HA ALA 7 -4.174 5.696 -2.104 54 1HB ALA 7 HB1 ALA 7 -1.585 4.423 -1.756 55 2HB ALA 7 HB2 ALA 7 -2.262 5.838 -0.959 56 3HB ALA 7 HB3 ALA 7 -1.467 6.006 -2.525 57 H ASP 8 HN ASP 8 -4.825 6.896 -3.760 58 HA ASP 8 HA ASP 8 -4.169 6.219 -6.471 59 1HB ASP 8 HB2 ASP 8 -5.812 8.468 -5.298 60 2HB ASP 8 HB1 ASP 8 -5.650 8.160 -7.024 61 H THR 9 HN THR 9 -1.826 6.609 -5.653 62 HA THR 9 HA THR 9 -0.942 9.086 -6.908 63 HB THR 9 HB THR 9 0.771 9.421 -5.050 64 HG1 THR 9 HG1 THR 9 0.728 8.059 -3.489 65 1HG2 THR 9 HG21 THR 9 -0.761 11.098 -4.969 66 2HG2 THR 9 HG22 THR 9 -1.053 10.330 -3.409 67 3HG2 THR 9 HG23 THR 9 -2.124 9.998 -4.770 68 H TYR 10 HN TYR 10 -0.024 5.991 -5.455 69 HA TYR 10 HA TYR 10 2.055 5.696 -7.530 70 1HB TYR 10 HB2 TYR 10 3.153 5.783 -5.378 71 2HB TYR 10 HB1 TYR 10 2.024 4.607 -4.711 72 HD1 TYR 10 HD1 TYR 10 2.932 2.537 -4.346 73 HD2 TYR 10 HD2 TYR 10 4.255 4.774 -7.711 74 HE1 TYR 10 HE1 TYR 10 4.458 0.704 -4.950 75 HE2 TYR 10 HE2 TYR 10 5.785 2.944 -8.328 76 HH TYR 10 HH TYR 10 6.975 0.974 -6.916 77 H ARG 11 HN ARG 11 1.221 4.401 -9.068 78 HA ARG 11 HA ARG 11 0.126 1.820 -8.257 79 1HB ARG 11 HB2 ARG 11 -1.401 3.731 -10.030 80 2HB ARG 11 HB1 ARG 11 -1.878 2.078 -9.661 81 1HG ARG 11 HG2 ARG 11 -2.094 2.662 -7.290 82 2HG ARG 11 HG1 ARG 11 -1.603 4.316 -7.652 83 1HD ARG 11 HD2 ARG 11 -4.063 2.920 -8.715 84 2HD ARG 11 HD1 ARG 11 -4.032 4.139 -7.438 85 HE ARG 11 HE ARG 11 -2.828 5.194 -9.756 86 1HH1 ARG 11 HH11 ARG 11 -5.964 4.316 -8.529 87 2HH1 ARG 11 HH12 ARG 11 -6.811 5.398 -9.574 88 1HH2 ARG 11 HH21 ARG 11 -3.944 6.609 -11.126 89 2HH2 ARG 11 HH22 ARG 11 -5.669 6.697 -11.050 90 H GLY 12 HN GLY 12 1.360 0.422 -9.311 91 1HA GLY 12 HA2 GLY 12 1.456 0.421 -12.198 92 2HA GLY 12 HA1 GLY 12 3.016 0.740 -11.444 93 H VAL 13 HN VAL 13 3.863 -1.207 -12.304 94 HA VAL 13 HA VAL 13 2.669 -3.726 -11.443 95 HB VAL 13 HB VAL 13 5.198 -3.286 -13.043 96 1HG1 VAL 13 HG11 VAL 13 3.559 -5.724 -12.412 97 2HG1 VAL 13 HG12 VAL 13 5.275 -5.453 -12.127 98 3HG1 VAL 13 HG13 VAL 13 4.680 -5.667 -13.773 99 1HG2 VAL 13 HG21 VAL 13 2.451 -3.983 -14.076 100 2HG2 VAL 13 HG22 VAL 13 3.910 -3.707 -15.028 101 3HG2 VAL 13 HG23 VAL 13 3.166 -2.373 -14.147 102 H CYS 14 HN CYS 14 3.102 -4.361 -9.395 103 HA CYS 14 HA CYS 14 5.692 -3.659 -8.203 104 1HB CYS 14 HB2 CYS 14 3.780 -3.173 -6.803 105 2HB CYS 14 HB1 CYS 14 3.207 -4.837 -6.948 106 H PHE 15 HN PHE 15 7.211 -5.084 -7.586 107 HA PHE 15 HA PHE 15 6.761 -7.923 -8.216 108 1HB PHE 15 HB2 PHE 15 9.357 -6.370 -8.366 109 2HB PHE 15 HB1 PHE 15 9.182 -8.095 -8.682 110 HD1 PHE 15 HD1 PHE 15 9.079 -8.742 -10.864 111 HD2 PHE 15 HD2 PHE 15 7.675 -4.861 -9.825 112 HE1 PHE 15 HE1 PHE 15 8.653 -8.263 -13.239 113 HE2 PHE 15 HE2 PHE 15 7.240 -4.377 -12.197 114 HZ PHE 15 HZ PHE 15 7.731 -6.080 -13.908 115 H THR 16 HN THR 16 8.451 -5.674 -6.036 116 HA THR 16 HA THR 16 8.680 -7.862 -4.073 117 HB THR 16 HB THR 16 10.559 -6.630 -3.085 118 HG1 THR 16 HG1 THR 16 11.140 -4.692 -3.767 119 1HG2 THR 16 HG21 THR 16 11.433 -6.521 -5.871 120 2HG2 THR 16 HG22 THR 16 10.702 -8.050 -5.385 121 3HG2 THR 16 HG23 THR 16 12.091 -7.416 -4.502 122 H ASN 17 HN ASN 17 8.096 -7.501 -1.944 123 HA ASN 17 HA ASN 17 5.849 -6.022 -1.395 124 1HB ASN 17 HB2 ASN 17 8.014 -6.866 0.547 125 2HB ASN 17 HB1 ASN 17 6.368 -6.419 0.985 126 1HD2 ASN 17 HD21 ASN 17 5.095 -8.094 1.359 127 2HD2 ASN 17 HD22 ASN 17 5.227 -9.653 0.627 128 H ALA 18 HN ALA 18 9.203 -4.984 -1.165 129 HA ALA 18 HA ALA 18 8.946 -2.681 0.381 130 1HB ALA 18 HB1 ALA 18 10.999 -3.954 -0.850 131 2HB ALA 18 HB2 ALA 18 11.115 -2.371 -0.082 132 3HB ALA 18 HB3 ALA 18 10.870 -2.489 -1.824 133 H SER 19 HN SER 19 8.007 -3.187 -2.950 134 HA SER 19 HA SER 19 8.108 -0.606 -3.966 135 1HB SER 19 HB2 SER 19 6.071 -2.773 -4.522 136 2HB SER 19 HB1 SER 19 6.287 -1.330 -5.509 137 HG SER 19 HG SER 19 8.652 -2.598 -5.105 138 H CYS 20 HN CYS 20 5.318 -2.114 -2.301 139 HA CYS 20 HA CYS 20 3.822 0.351 -2.256 140 1HB CYS 20 HB2 CYS 20 3.373 -2.318 -0.942 141 2HB CYS 20 HB1 CYS 20 2.232 -0.987 -0.856 142 H ASP 21 HN ASP 21 5.684 -1.537 0.068 143 HA ASP 21 HA ASP 21 5.037 -0.298 2.432 144 1HB ASP 21 HB2 ASP 21 6.643 -2.213 2.125 145 2HB ASP 21 HB1 ASP 21 7.855 -1.044 1.607 146 H ASP 22 HN ASP 22 7.739 0.632 0.290 147 HA ASP 22 HA ASP 22 8.464 3.041 1.478 148 1HB ASP 22 HB2 ASP 22 9.628 1.869 -0.444 149 2HB ASP 22 HB1 ASP 22 8.392 2.526 -1.508 150 H HIS 23 HN HIS 23 6.116 2.419 -1.098 151 HA HIS 23 HA HIS 23 5.141 4.974 -1.557 152 1HB HIS 23 HB2 HIS 23 4.464 3.168 -2.964 153 2HB HIS 23 HB1 HIS 23 3.792 2.277 -1.621 154 HD1 HIS 23 HD1 HIS 23 3.063 5.853 -2.694 155 HD2 HIS 23 HD2 HIS 23 1.170 2.213 -2.167 156 HE1 HIS 23 HE1 HIS 23 0.635 6.259 -3.212 157 HE2 HIS 23 HE2 HIS 23 -0.411 3.993 -3.143 158 H CYS 24 HN CYS 24 3.635 2.542 0.562 159 HA CYS 24 HA CYS 24 1.796 4.273 1.754 160 1HB CYS 24 HB2 CYS 24 3.052 1.712 2.704 161 2HB CYS 24 HB1 CYS 24 1.857 2.573 3.671 162 H LYS 25 HN LYS 25 5.146 3.571 2.665 163 HA LYS 25 HA LYS 25 5.092 4.989 5.123 164 1HB LYS 25 HB2 LYS 25 6.804 3.307 4.513 165 2HB LYS 25 HB1 LYS 25 7.442 4.418 3.311 166 1HG LYS 25 HG2 LYS 25 8.029 6.001 5.075 167 2HG LYS 25 HG1 LYS 25 7.373 4.893 6.283 168 1HD LYS 25 HD2 LYS 25 9.020 3.200 5.624 169 2HD LYS 25 HD1 LYS 25 9.674 4.305 4.414 170 1HE LYS 25 HE2 LYS 25 11.084 4.351 6.363 171 2HE LYS 25 HE1 LYS 25 10.234 5.891 6.231 172 1HZ LYS 25 HZ1 LYS 25 9.661 3.661 8.103 173 2HZ LYS 25 HZ2 LYS 25 8.578 4.932 7.846 174 3HZ LYS 25 HZ3 LYS 25 10.112 5.247 8.485 175 H ASN 26 HN ASN 26 5.947 5.955 1.826 176 HA ASN 26 HA ASN 26 6.571 8.672 2.661 177 1HB ASN 26 HB2 ASN 26 6.696 7.238 0.015 178 2HB ASN 26 HB1 ASN 26 7.081 8.930 0.188 179 1HD2 ASN 26 HD21 ASN 26 8.416 6.165 -0.207 180 2HD2 ASN 26 HD22 ASN 26 9.885 6.381 0.666 181 H LYS 27 HN LYS 27 3.910 6.993 1.090 182 HA LYS 27 HA LYS 27 2.668 9.416 0.104 183 1HB LYS 27 HB2 LYS 27 2.459 7.120 -0.957 184 2HB LYS 27 HB1 LYS 27 1.429 6.667 0.388 185 1HG LYS 27 HG2 LYS 27 0.847 8.899 -1.556 186 2HG LYS 27 HG1 LYS 27 0.191 7.261 -1.653 187 1HD LYS 27 HD2 LYS 27 -1.100 7.555 0.298 188 2HD LYS 27 HD1 LYS 27 -0.212 8.999 0.774 189 1HE LYS 27 HE2 LYS 27 -2.409 9.588 -0.082 190 2HE LYS 27 HE1 LYS 27 -1.138 10.213 -1.130 191 1HZ LYS 27 HZ1 LYS 27 -2.672 7.722 -1.649 192 2HZ LYS 27 HZ2 LYS 27 -1.533 8.431 -2.688 193 3HZ LYS 27 HZ3 LYS 27 -3.004 9.219 -2.364 194 H ALA 28 HN ALA 28 1.793 6.987 2.557 195 HA ALA 28 HA ALA 28 0.589 9.098 4.182 196 1HB ALA 28 HB1 ALA 28 -0.826 6.610 3.247 197 2HB ALA 28 HB2 ALA 28 -1.314 8.290 3.017 198 3HB ALA 28 HB3 ALA 28 -1.370 7.567 4.625 199 H HIS 29 HN HIS 29 2.299 8.871 5.541 200 HA HIS 29 HA HIS 29 3.707 6.871 6.563 201 1HB HIS 29 HB2 HIS 29 4.002 9.264 7.110 202 2HB HIS 29 HB1 HIS 29 2.634 9.164 8.217 203 HD1 HIS 29 HD1 HIS 29 5.912 7.265 7.782 204 HD2 HIS 29 HD2 HIS 29 3.501 8.880 10.753 205 HE1 HIS 29 HE1 HIS 29 7.134 6.839 9.945 206 HE2 HIS 29 HE2 HIS 29 5.723 7.959 11.709 207 H LEU 30 HN LEU 30 2.051 5.157 6.436 208 HA LEU 30 HA LEU 30 0.566 4.806 8.951 209 1HB LEU 30 HB2 LEU 30 0.213 3.743 6.195 210 2HB LEU 30 HB1 LEU 30 -0.282 2.709 7.523 211 HG LEU 30 HG LEU 30 -2.173 3.965 6.633 212 1HD1 LEU 30 HD11 LEU 30 -1.849 3.460 9.133 213 2HD1 LEU 30 HD12 LEU 30 -3.108 4.598 8.653 214 3HD1 LEU 30 HD13 LEU 30 -1.577 5.196 9.291 215 1HD2 LEU 30 HD21 LEU 30 -1.334 5.932 5.735 216 2HD2 LEU 30 HD22 LEU 30 -0.433 6.334 7.196 217 3HD2 LEU 30 HD23 LEU 30 -2.189 6.478 7.177 218 H ILE 31 HN ILE 31 0.389 2.126 9.231 219 HA ILE 31 HA ILE 31 2.887 1.474 10.345 220 HB ILE 31 HB ILE 31 1.871 -0.720 10.872 221 1HG1 ILE 31 HG12 ILE 31 -0.557 0.470 9.522 222 2HG1 ILE 31 HG11 ILE 31 0.402 -0.880 8.923 223 1HG2 ILE 31 HG21 ILE 31 1.656 0.832 12.567 224 2HG2 ILE 31 HG22 ILE 31 -0.020 0.366 12.277 225 3HG2 ILE 31 HG23 ILE 31 0.603 1.877 11.614 226 1HD1 ILE 31 HD11 ILE 31 -0.543 -1.321 11.626 227 2HD1 ILE 31 HD12 ILE 31 -0.700 -2.333 10.192 228 3HD1 ILE 31 HD13 ILE 31 -1.857 -1.037 10.486 229 H SER 32 HN SER 32 1.231 0.073 7.482 230 HA SER 32 HA SER 32 3.794 -0.559 6.329 231 1HB SER 32 HB2 SER 32 3.593 -2.442 7.871 232 2HB SER 32 HB1 SER 32 2.006 -2.838 7.211 233 HG SER 32 HG SER 32 4.553 -3.150 6.055 234 H GLY 33 HN GLY 33 3.630 -1.567 4.182 235 1HA GLY 33 HA2 GLY 33 0.973 -1.355 2.919 236 2HA GLY 33 HA1 GLY 33 2.304 -0.410 2.261 237 H THR 34 HN THR 34 0.582 -3.146 1.789 238 HA THR 34 HA THR 34 2.870 -4.623 0.658 239 HB THR 34 HB THR 34 1.731 -5.958 2.297 240 HG1 THR 34 HG1 THR 34 0.614 -7.333 0.283 241 1HG2 THR 34 HG21 THR 34 -0.819 -5.931 0.744 242 2HG2 THR 34 HG22 THR 34 -0.516 -4.728 1.998 243 3HG2 THR 34 HG23 THR 34 -0.519 -6.444 2.402 244 H CYS 35 HN CYS 35 2.359 -5.939 -1.298 245 HA CYS 35 HA CYS 35 0.933 -4.249 -3.226 246 1HB CYS 35 HB2 CYS 35 2.983 -6.437 -3.628 247 2HB CYS 35 HB1 CYS 35 2.181 -5.577 -4.942 248 H HIS 36 HN HIS 36 -0.989 -4.825 -3.952 249 HA HIS 36 HA HIS 36 -1.886 -7.607 -3.647 250 1HB HIS 36 HB2 HIS 36 -3.405 -5.031 -4.156 251 2HB HIS 36 HB1 HIS 36 -4.161 -6.621 -4.177 252 HD1 HIS 36 HD1 HIS 36 -3.676 -8.014 -1.810 253 HD2 HIS 36 HD2 HIS 36 -3.544 -3.869 -1.714 254 HE1 HIS 36 HE1 HIS 36 -3.929 -7.388 0.611 255 HE2 HIS 36 HE2 HIS 36 -3.928 -4.877 0.645 256 H ASN 37 HN ASN 37 -3.884 -7.333 -5.801 257 HA ASN 37 HA ASN 37 -2.460 -8.391 -7.946 258 1HB ASN 37 HB2 ASN 37 -5.105 -6.947 -8.140 259 2HB ASN 37 HB1 ASN 37 -4.491 -8.169 -9.247 260 1HD2 ASN 37 HD21 ASN 37 -5.293 -10.118 -8.977 261 2HD2 ASN 37 HD22 ASN 37 -5.936 -10.756 -7.508 262 H TRP 38 HN TRP 38 -0.698 -6.881 -8.077 263 HA TRP 38 HA TRP 38 0.532 -5.212 -8.990 264 1HB TRP 38 HB2 TRP 38 -1.636 -5.041 -11.081 265 2HB TRP 38 HB1 TRP 38 0.053 -4.597 -11.262 266 HD1 TRP 38 HD1 TRP 38 -2.255 -7.363 -11.853 267 HE1 TRP 38 HE1 TRP 38 -0.994 -9.530 -12.458 268 HE3 TRP 38 HE3 TRP 38 2.449 -5.935 -10.522 269 HZ2 TRP 38 HZ2 TRP 38 1.655 -10.494 -12.370 270 HZ3 TRP 38 HZ3 TRP 38 4.298 -7.533 -10.808 271 HH2 TRP 38 HH2 TRP 38 3.907 -9.766 -11.713 272 H LYS 39 HN LYS 39 -0.831 -4.259 -6.890 273 HA LYS 39 HA LYS 39 -0.982 -1.474 -7.482 274 1HB LYS 39 HB2 LYS 39 -3.298 -1.118 -6.649 275 2HB LYS 39 HB1 LYS 39 -3.206 -1.943 -8.195 276 1HG LYS 39 HG2 LYS 39 -3.561 -4.081 -7.054 277 2HG LYS 39 HG1 LYS 39 -3.726 -3.216 -5.522 278 1HD LYS 39 HD2 LYS 39 -5.643 -1.971 -6.455 279 2HD LYS 39 HD1 LYS 39 -5.475 -2.864 -7.964 280 1HE LYS 39 HE2 LYS 39 -6.085 -4.068 -5.267 281 2HE LYS 39 HE1 LYS 39 -7.263 -3.769 -6.549 282 1HZ LYS 39 HZ1 LYS 39 -5.786 -5.225 -7.977 283 2HZ LYS 39 HZ2 LYS 39 -6.662 -6.016 -6.759 284 3HZ LYS 39 HZ3 LYS 39 -5.012 -5.695 -6.547 285 H CYS 40 HN CYS 40 -1.243 -0.114 -5.511 286 HA CYS 40 HA CYS 40 -0.233 -1.603 -3.196 287 1HB CYS 40 HB2 CYS 40 0.224 1.224 -4.109 288 2HB CYS 40 HB1 CYS 40 0.635 0.658 -2.491 289 H PHE 41 HN PHE 41 -1.293 -1.766 -1.433 290 HA PHE 41 HA PHE 41 -3.376 0.209 -0.761 291 1HB PHE 41 HB2 PHE 41 -3.337 -2.774 -0.290 292 2HB PHE 41 HB1 PHE 41 -4.407 -1.693 0.597 293 HD1 PHE 41 HD1 PHE 41 -6.547 -2.031 -0.098 294 HD2 PHE 41 HD2 PHE 41 -3.450 -1.886 -3.005 295 HE1 PHE 41 HE1 PHE 41 -8.221 -2.240 -1.886 296 HE2 PHE 41 HE2 PHE 41 -5.109 -2.082 -4.794 297 HZ PHE 41 HZ PHE 41 -7.502 -2.251 -4.246 298 H CYS 42 HN CYS 42 -3.437 0.884 1.406 299 HA CYS 42 HA CYS 42 -1.026 0.177 2.942 300 1HB CYS 42 HB2 CYS 42 -2.737 2.678 3.005 301 2HB CYS 42 HB1 CYS 42 -1.367 2.366 4.061 302 H THR 43 HN THR 43 -1.263 0.073 5.292 303 HA THR 43 HA THR 43 -3.887 -1.011 6.053 304 HB THR 43 HB THR 43 -2.535 -2.137 7.882 305 HG1 THR 43 HG1 THR 43 -0.336 -1.440 6.235 306 1HG2 THR 43 HG21 THR 43 -1.240 -3.587 6.020 307 2HG2 THR 43 HG22 THR 43 -2.472 -2.803 5.031 308 3HG2 THR 43 HG23 THR 43 -2.947 -3.779 6.421 309 H GLN 44 HN GLN 44 -5.066 -0.065 7.587 310 HA GLN 44 HA GLN 44 -3.766 1.758 9.496 311 1HB GLN 44 HB2 GLN 44 -4.661 3.109 7.642 312 2HB GLN 44 HB1 GLN 44 -6.249 2.396 7.890 313 1HG GLN 44 HG2 GLN 44 -6.330 3.402 10.132 314 2HG GLN 44 HG1 GLN 44 -4.760 4.140 9.845 315 1HE2 GLN 44 HE21 GLN 44 -6.432 4.155 6.957 316 2HE2 GLN 44 HE22 GLN 44 -7.109 5.736 7.059 317 H ASN 45 HN ASN 45 -4.886 2.072 11.466 318 HA ASN 45 HA ASN 45 -6.470 -0.187 12.293 319 1HB ASN 45 HB2 ASN 45 -5.587 2.280 13.818 320 2HB ASN 45 HB1 ASN 45 -6.327 0.850 14.527 321 1HD2 ASN 45 HD21 ASN 45 -3.480 2.354 14.074 322 2HD2 ASN 45 HD22 ASN 45 -2.414 0.999 14.150 323 H CYS 46 HN CYS 46 -8.637 -0.262 12.574 324 HA CYS 46 HA CYS 46 -10.205 2.173 12.821 325 1HB CYS 46 HB2 CYS 46 -11.690 1.608 10.938 326 2HB CYS 46 HB1 CYS 46 -10.040 1.916 10.395 Start of MODEL 12 1 1H LYS 1 HT1 LYS 1 -8.205 -6.187 11.674 2 2H LYS 1 HT2 LYS 1 -9.577 -7.025 12.180 3 3H LYS 1 HT3 LYS 1 -8.209 -6.958 13.171 4 HA LYS 1 HA LYS 1 -10.371 -5.098 12.893 5 1HB LYS 1 HB2 LYS 1 -8.128 -5.400 14.909 6 2HB LYS 1 HB1 LYS 1 -9.562 -4.407 15.121 7 1HG LYS 1 HG2 LYS 1 -10.970 -6.392 15.067 8 2HG LYS 1 HG1 LYS 1 -9.546 -7.405 14.809 9 1HD LYS 1 HD2 LYS 1 -8.645 -6.707 16.967 10 2HD LYS 1 HD1 LYS 1 -10.047 -5.662 17.223 11 1HE LYS 1 HE2 LYS 1 -11.514 -7.609 17.164 12 2HE LYS 1 HE1 LYS 1 -10.123 -8.658 16.885 13 1HZ LYS 1 HZ1 LYS 1 -10.062 -6.921 19.243 14 2HZ LYS 1 HZ2 LYS 1 -9.443 -8.482 19.035 15 3HZ LYS 1 HZ3 LYS 1 -11.100 -8.256 19.285 16 H THR 2 HN THR 2 -8.911 -4.468 10.723 17 HA THR 2 HA THR 2 -7.981 -1.786 11.371 18 HB THR 2 HB THR 2 -5.965 -2.003 9.932 19 HG1 THR 2 HG1 THR 2 -6.056 -4.783 10.189 20 1HG2 THR 2 HG21 THR 2 -5.037 -2.110 11.952 21 2HG2 THR 2 HG22 THR 2 -4.841 -3.827 11.602 22 3HG2 THR 2 HG23 THR 2 -6.218 -3.271 12.550 23 H CYS 3 HN CYS 3 -7.481 -0.546 9.282 24 HA CYS 3 HA CYS 3 -9.490 -1.309 7.260 25 1HB CYS 3 HB2 CYS 3 -8.571 1.454 8.083 26 2HB CYS 3 HB1 CYS 3 -9.671 1.121 6.750 27 H GLU 4 HN GLU 4 -8.943 -1.421 5.178 28 HA GLU 4 HA GLU 4 -6.149 -0.827 4.465 29 1HB GLU 4 HB2 GLU 4 -8.052 -2.855 3.273 30 2HB GLU 4 HB1 GLU 4 -6.436 -2.518 2.666 31 1HG GLU 4 HG2 GLU 4 -5.478 -3.253 4.776 32 2HG GLU 4 HG1 GLU 4 -7.086 -3.572 5.410 33 H HIS 5 HN HIS 5 -5.694 0.474 2.769 34 HA HIS 5 HA HIS 5 -7.895 1.313 1.020 35 1HB HIS 5 HB2 HIS 5 -6.095 3.217 2.535 36 2HB HIS 5 HB1 HIS 5 -7.191 3.696 1.245 37 HD1 HIS 5 HD1 HIS 5 -9.809 2.681 1.861 38 HD2 HIS 5 HD2 HIS 5 -7.204 3.729 4.921 39 HE1 HIS 5 HE1 HIS 5 -11.266 3.086 3.873 40 HE2 HIS 5 HE2 HIS 5 -9.676 3.868 5.665 41 H LEU 6 HN LEU 6 -7.351 1.495 -1.046 42 HA LEU 6 HA LEU 6 -4.652 0.914 -1.884 43 1HB LEU 6 HB2 LEU 6 -6.393 -0.164 -3.089 44 2HB LEU 6 HB1 LEU 6 -7.249 1.353 -3.351 45 HG LEU 6 HG LEU 6 -5.353 2.088 -4.801 46 1HD1 LEU 6 HD11 LEU 6 -4.184 -0.242 -5.588 47 2HD1 LEU 6 HD12 LEU 6 -4.264 -0.439 -3.840 48 3HD1 LEU 6 HD13 LEU 6 -3.449 0.964 -4.537 49 1HD2 LEU 6 HD21 LEU 6 -6.154 1.019 -6.680 50 2HD2 LEU 6 HD22 LEU 6 -7.500 0.888 -5.550 51 3HD2 LEU 6 HD23 LEU 6 -6.444 -0.498 -5.829 52 H ALA 7 HN ALA 7 -3.155 2.396 -2.348 53 HA ALA 7 HA ALA 7 -3.850 5.208 -2.424 54 1HB ALA 7 HB1 ALA 7 -1.359 3.626 -2.201 55 2HB ALA 7 HB2 ALA 7 -1.902 5.024 -1.273 56 3HB ALA 7 HB3 ALA 7 -1.225 5.248 -2.887 57 H ASP 8 HN ASP 8 -4.175 6.386 -4.201 58 HA ASP 8 HA ASP 8 -3.922 5.174 -6.811 59 1HB ASP 8 HB2 ASP 8 -5.860 6.610 -6.020 60 2HB ASP 8 HB1 ASP 8 -4.786 7.994 -6.156 61 H THR 9 HN THR 9 -1.778 6.881 -4.852 62 HA THR 9 HA THR 9 -0.366 8.017 -7.174 63 HB THR 9 HB THR 9 0.902 9.358 -5.509 64 HG1 THR 9 HG1 THR 9 -0.384 9.340 -3.368 65 1HG2 THR 9 HG21 THR 9 -1.012 10.775 -4.700 66 2HG2 THR 9 HG22 THR 9 -2.088 9.599 -5.454 67 3HG2 THR 9 HG23 THR 9 -0.938 10.500 -6.441 68 H TYR 10 HN TYR 10 -0.028 5.540 -7.345 69 HA TYR 10 HA TYR 10 2.396 4.723 -5.890 70 1HB TYR 10 HB2 TYR 10 0.401 3.261 -5.671 71 2HB TYR 10 HB1 TYR 10 0.359 3.066 -7.421 72 HD1 TYR 10 HD1 TYR 10 0.774 0.837 -7.837 73 HD2 TYR 10 HD2 TYR 10 3.251 2.867 -5.030 74 HE1 TYR 10 HE1 TYR 10 2.243 -1.130 -7.714 75 HE2 TYR 10 HE2 TYR 10 4.721 0.894 -4.901 76 HH TYR 10 HH TYR 10 4.407 -1.677 -5.327 77 H ARG 11 HN ARG 11 3.380 2.813 -7.730 78 HA ARG 11 HA ARG 11 4.253 4.536 -9.911 79 1HB ARG 11 HB2 ARG 11 5.576 2.007 -8.953 80 2HB ARG 11 HB1 ARG 11 6.288 3.307 -9.898 81 1HG ARG 11 HG2 ARG 11 5.968 4.795 -7.893 82 2HG ARG 11 HG1 ARG 11 5.515 3.346 -6.991 83 1HD ARG 11 HD2 ARG 11 7.644 2.342 -7.397 84 2HD ARG 11 HD1 ARG 11 8.117 3.654 -8.481 85 HE ARG 11 HE ARG 11 7.499 4.777 -6.009 86 1HH1 ARG 11 HH11 ARG 11 9.871 2.668 -7.413 87 2HH1 ARG 11 HH12 ARG 11 11.105 3.082 -6.279 88 1HH2 ARG 11 HH21 ARG 11 9.117 5.326 -4.505 89 2HH2 ARG 11 HH22 ARG 11 10.669 4.577 -4.617 90 H GLY 12 HN GLY 12 1.768 2.894 -9.893 91 1HA GLY 12 HA2 GLY 12 0.605 1.771 -11.546 92 2HA GLY 12 HA1 GLY 12 2.091 1.696 -12.489 93 H VAL 13 HN VAL 13 3.380 -0.110 -12.373 94 HA VAL 13 HA VAL 13 2.107 -2.489 -11.287 95 HB VAL 13 HB VAL 13 4.626 -2.223 -12.940 96 1HG1 VAL 13 HG11 VAL 13 3.059 -4.626 -12.036 97 2HG1 VAL 13 HG12 VAL 13 4.772 -4.284 -11.791 98 3HG1 VAL 13 HG13 VAL 13 4.170 -4.672 -13.403 99 1HG2 VAL 13 HG21 VAL 13 2.901 -3.373 -14.609 100 2HG2 VAL 13 HG22 VAL 13 3.058 -1.621 -14.475 101 3HG2 VAL 13 HG23 VAL 13 1.751 -2.457 -13.635 102 H CYS 14 HN CYS 14 3.062 -3.960 -9.857 103 HA CYS 14 HA CYS 14 5.233 -2.850 -8.193 104 1HB CYS 14 HB2 CYS 14 3.272 -3.108 -6.847 105 2HB CYS 14 HB1 CYS 14 2.984 -4.735 -7.468 106 H PHE 15 HN PHE 15 6.882 -4.220 -7.431 107 HA PHE 15 HA PHE 15 7.205 -6.745 -8.915 108 1HB PHE 15 HB2 PHE 15 9.377 -4.798 -8.098 109 2HB PHE 15 HB1 PHE 15 9.649 -6.360 -8.868 110 HD1 PHE 15 HD1 PHE 15 10.147 -6.281 -11.090 111 HD2 PHE 15 HD2 PHE 15 7.547 -3.319 -9.485 112 HE1 PHE 15 HE1 PHE 15 10.001 -5.213 -13.302 113 HE2 PHE 15 HE2 PHE 15 7.389 -2.251 -11.693 114 HZ PHE 15 HZ PHE 15 8.618 -3.197 -13.605 115 H THR 16 HN THR 16 7.958 -5.026 -5.890 116 HA THR 16 HA THR 16 7.986 -7.616 -4.502 117 HB THR 16 HB THR 16 9.933 -6.962 -3.169 118 HG1 THR 16 HG1 THR 16 10.364 -4.778 -4.894 119 1HG2 THR 16 HG21 THR 16 11.046 -6.417 -5.831 120 2HG2 THR 16 HG22 THR 16 10.100 -7.899 -5.685 121 3HG2 THR 16 HG23 THR 16 11.492 -7.630 -4.634 122 H ASN 17 HN ASN 17 7.503 -7.492 -2.227 123 HA ASN 17 HA ASN 17 5.389 -5.837 -1.555 124 1HB ASN 17 HB2 ASN 17 7.316 -7.316 0.241 125 2HB ASN 17 HB1 ASN 17 5.810 -6.589 0.792 126 1HD2 ASN 17 HD21 ASN 17 7.140 -9.425 0.004 127 2HD2 ASN 17 HD22 ASN 17 5.751 -10.270 -0.576 128 H ALA 18 HN ALA 18 8.844 -5.300 -1.053 129 HA ALA 18 HA ALA 18 8.802 -3.247 0.812 130 1HB ALA 18 HB1 ALA 18 10.671 -3.489 -1.549 131 2HB ALA 18 HB2 ALA 18 10.848 -4.344 -0.016 132 3HB ALA 18 HB3 ALA 18 10.966 -2.585 -0.062 133 H SER 19 HN SER 19 8.113 -3.124 -2.638 134 HA SER 19 HA SER 19 8.251 -0.403 -3.137 135 1HB SER 19 HB2 SER 19 6.647 -0.799 -4.955 136 2HB SER 19 HB1 SER 19 7.847 -2.093 -4.878 137 HG SER 19 HG SER 19 6.353 -3.468 -4.067 138 H CYS 20 HN CYS 20 5.257 -2.168 -2.281 139 HA CYS 20 HA CYS 20 3.654 0.098 -1.916 140 1HB CYS 20 HB2 CYS 20 3.430 -2.678 -0.775 141 2HB CYS 20 HB1 CYS 20 2.187 -1.448 -0.576 142 H ASP 21 HN ASP 21 5.637 -1.701 0.407 143 HA ASP 21 HA ASP 21 4.752 -0.555 2.777 144 1HB ASP 21 HB2 ASP 21 6.387 -2.433 2.579 145 2HB ASP 21 HB1 ASP 21 7.615 -1.271 2.094 146 H ASP 22 HN ASP 22 7.757 0.474 1.120 147 HA ASP 22 HA ASP 22 8.202 2.898 2.362 148 1HB ASP 22 HB2 ASP 22 9.792 1.983 0.774 149 2HB ASP 22 HB1 ASP 22 8.624 2.099 -0.533 150 H HIS 23 HN HIS 23 6.491 2.337 -0.631 151 HA HIS 23 HA HIS 23 5.476 4.781 -1.255 152 1HB HIS 23 HB2 HIS 23 5.213 2.896 -2.686 153 2HB HIS 23 HB1 HIS 23 4.328 2.004 -1.476 154 HD1 HIS 23 HD1 HIS 23 3.554 5.497 -2.567 155 HD2 HIS 23 HD2 HIS 23 2.092 1.691 -2.952 156 HE1 HIS 23 HE1 HIS 23 1.240 5.777 -3.533 157 HE2 HIS 23 HE2 HIS 23 0.284 3.444 -3.538 158 H CYS 24 HN CYS 24 3.705 2.350 0.676 159 HA CYS 24 HA CYS 24 1.600 4.001 1.455 160 1HB CYS 24 HB2 CYS 24 2.844 1.602 2.770 161 2HB CYS 24 HB1 CYS 24 1.486 2.450 3.502 162 H LYS 25 HN LYS 25 4.595 3.330 3.315 163 HA LYS 25 HA LYS 25 4.031 5.009 5.472 164 1HB LYS 25 HB2 LYS 25 6.698 4.269 4.268 165 2HB LYS 25 HB1 LYS 25 6.517 5.109 5.801 166 1HG LYS 25 HG2 LYS 25 5.199 3.162 6.634 167 2HG LYS 25 HG1 LYS 25 5.590 2.323 5.130 168 1HD LYS 25 HD2 LYS 25 7.952 2.441 5.623 169 2HD LYS 25 HD1 LYS 25 7.641 3.413 7.063 170 1HE LYS 25 HE2 LYS 25 6.786 0.555 6.609 171 2HE LYS 25 HE1 LYS 25 8.085 1.100 7.667 172 1HZ LYS 25 HZ1 LYS 25 6.006 2.527 8.585 173 2HZ LYS 25 HZ2 LYS 25 6.476 1.026 9.218 174 3HZ LYS 25 HZ3 LYS 25 5.206 1.105 8.087 175 H ASN 26 HN ASN 26 5.668 5.791 2.424 176 HA ASN 26 HA ASN 26 6.087 8.529 3.211 177 1HB ASN 26 HB2 ASN 26 6.645 6.990 0.689 178 2HB ASN 26 HB1 ASN 26 6.954 8.706 0.814 179 1HD2 ASN 26 HD21 ASN 26 8.462 6.027 0.761 180 2HD2 ASN 26 HD22 ASN 26 9.731 6.328 1.889 181 H LYS 27 HN LYS 27 3.745 6.874 1.107 182 HA LYS 27 HA LYS 27 2.693 9.415 0.161 183 1HB LYS 27 HB2 LYS 27 1.792 6.570 -0.289 184 2HB LYS 27 HB1 LYS 27 0.995 7.968 -0.998 185 1HG LYS 27 HG2 LYS 27 3.872 7.204 -1.437 186 2HG LYS 27 HG1 LYS 27 2.537 6.857 -2.542 187 1HD LYS 27 HD2 LYS 27 2.149 9.217 -2.880 188 2HD LYS 27 HD1 LYS 27 3.359 9.627 -1.664 189 1HE LYS 27 HE2 LYS 27 4.213 9.897 -3.947 190 2HE LYS 27 HE1 LYS 27 5.110 8.680 -3.037 191 1HZ LYS 27 HZ1 LYS 27 4.437 7.043 -4.412 192 2HZ LYS 27 HZ2 LYS 27 4.160 8.296 -5.507 193 3HZ LYS 27 HZ3 LYS 27 2.864 7.659 -4.609 194 H ALA 28 HN ALA 28 1.394 6.730 2.121 195 HA ALA 28 HA ALA 28 -0.486 8.653 3.319 196 1HB ALA 28 HB1 ALA 28 -1.013 5.835 2.402 197 2HB ALA 28 HB2 ALA 28 -1.855 7.316 1.946 198 3HB ALA 28 HB3 ALA 28 -2.048 6.658 3.571 199 H HIS 29 HN HIS 29 1.064 8.939 4.914 200 HA HIS 29 HA HIS 29 2.583 7.563 6.501 201 1HB HIS 29 HB2 HIS 29 2.037 9.941 6.817 202 2HB HIS 29 HB1 HIS 29 0.510 9.484 7.571 203 HD1 HIS 29 HD1 HIS 29 4.184 8.651 8.185 204 HD2 HIS 29 HD2 HIS 29 0.704 9.610 10.240 205 HE1 HIS 29 HE1 HIS 29 4.838 8.727 10.616 206 HE2 HIS 29 HE2 HIS 29 2.743 9.439 11.822 207 H LEU 30 HN LEU 30 1.685 5.425 6.274 208 HA LEU 30 HA LEU 30 -0.012 4.689 8.572 209 1HB LEU 30 HB2 LEU 30 -0.072 3.767 5.753 210 2HB LEU 30 HB1 LEU 30 -0.365 2.560 6.991 211 HG LEU 30 HG LEU 30 -2.260 3.863 7.833 212 1HD1 LEU 30 HD11 LEU 30 -3.038 5.838 6.845 213 2HD1 LEU 30 HD12 LEU 30 -1.942 5.687 5.474 214 3HD1 LEU 30 HD13 LEU 30 -1.310 6.082 7.069 215 1HD2 LEU 30 HD21 LEU 30 -2.083 2.482 5.389 216 2HD2 LEU 30 HD22 LEU 30 -3.163 3.851 5.129 217 3HD2 LEU 30 HD23 LEU 30 -3.494 2.696 6.417 218 H ILE 31 HN ILE 31 0.283 2.101 8.833 219 HA ILE 31 HA ILE 31 2.955 1.818 9.763 220 HB ILE 31 HB ILE 31 2.255 -0.378 10.581 221 1HG1 ILE 31 HG12 ILE 31 -0.373 0.305 9.263 222 2HG1 ILE 31 HG11 ILE 31 0.733 -0.985 8.800 223 1HG2 ILE 31 HG21 ILE 31 0.852 0.414 12.299 224 2HG2 ILE 31 HG22 ILE 31 0.158 1.659 11.261 225 3HG2 ILE 31 HG23 ILE 31 1.831 1.794 11.801 226 1HD1 ILE 31 HD11 ILE 31 -0.889 -0.787 11.317 227 2HD1 ILE 31 HD12 ILE 31 0.361 -2.000 11.043 228 3HD1 ILE 31 HD13 ILE 31 -1.066 -1.955 10.008 229 H SER 32 HN SER 32 1.070 -0.001 7.296 230 HA SER 32 HA SER 32 3.557 -0.488 5.865 231 1HB SER 32 HB2 SER 32 1.868 -2.784 6.889 232 2HB SER 32 HB1 SER 32 3.244 -2.935 5.795 233 HG SER 32 HG SER 32 3.735 -3.298 8.057 234 H GLY 33 HN GLY 33 3.022 -2.104 3.934 235 1HA GLY 33 HA2 GLY 33 0.375 -1.676 2.777 236 2HA GLY 33 HA1 GLY 33 1.718 -0.903 1.942 237 H THR 34 HN THR 34 -0.063 -3.000 0.943 238 HA THR 34 HA THR 34 1.985 -5.063 0.391 239 HB THR 34 HB THR 34 0.166 -6.752 0.300 240 HG1 THR 34 HG1 THR 34 -1.405 -4.644 0.381 241 1HG2 THR 34 HG21 THR 34 -0.505 -6.392 2.868 242 2HG2 THR 34 HG22 THR 34 0.936 -5.379 2.779 243 3HG2 THR 34 HG23 THR 34 1.028 -7.086 2.340 244 H CYS 35 HN CYS 35 1.881 -6.130 -1.628 245 HA CYS 35 HA CYS 35 0.694 -4.498 -3.747 246 1HB CYS 35 HB2 CYS 35 2.809 -6.645 -3.787 247 2HB CYS 35 HB1 CYS 35 2.116 -5.966 -5.258 248 H HIS 36 HN HIS 36 -1.467 -5.157 -3.578 249 HA HIS 36 HA HIS 36 -2.133 -7.959 -3.964 250 1HB HIS 36 HB2 HIS 36 -3.838 -5.487 -3.648 251 2HB HIS 36 HB1 HIS 36 -4.497 -7.101 -3.884 252 HD1 HIS 36 HD1 HIS 36 -3.728 -8.877 -1.961 253 HD2 HIS 36 HD2 HIS 36 -3.337 -4.849 -1.070 254 HE1 HIS 36 HE1 HIS 36 -3.513 -8.752 0.531 255 HE2 HIS 36 HE2 HIS 36 -2.966 -6.342 0.998 256 H ASN 37 HN ASN 37 -2.271 -8.855 -5.902 257 HA ASN 37 HA ASN 37 -2.611 -9.201 -8.119 258 1HB ASN 37 HB2 ASN 37 -4.816 -8.158 -7.679 259 2HB ASN 37 HB1 ASN 37 -4.123 -6.571 -7.991 260 1HD2 ASN 37 HD21 ASN 37 -5.841 -9.063 -9.302 261 2HD2 ASN 37 HD22 ASN 37 -5.596 -8.716 -10.975 262 H TRP 38 HN TRP 38 -2.461 -5.682 -8.212 263 HA TRP 38 HA TRP 38 0.319 -5.595 -8.934 264 1HB TRP 38 HB2 TRP 38 -1.744 -4.925 -11.046 265 2HB TRP 38 HB1 TRP 38 -0.055 -4.463 -11.147 266 HD1 TRP 38 HD1 TRP 38 -2.372 -7.159 -12.042 267 HE1 TRP 38 HE1 TRP 38 -1.096 -9.196 -12.965 268 HE3 TRP 38 HE3 TRP 38 2.353 -5.832 -10.654 269 HZ2 TRP 38 HZ2 TRP 38 1.570 -10.112 -13.086 270 HZ3 TRP 38 HZ3 TRP 38 4.216 -7.338 -11.210 271 HH2 TRP 38 HH2 TRP 38 3.832 -9.436 -12.401 272 H LYS 39 HN LYS 39 -1.595 -4.426 -6.974 273 HA LYS 39 HA LYS 39 -0.952 -1.591 -7.471 274 1HB LYS 39 HB2 LYS 39 -3.515 -2.626 -6.239 275 2HB LYS 39 HB1 LYS 39 -3.080 -0.942 -6.475 276 1HG LYS 39 HG2 LYS 39 -3.167 -1.203 -8.868 277 2HG LYS 39 HG1 LYS 39 -3.483 -2.932 -8.691 278 1HD LYS 39 HD2 LYS 39 -5.579 -2.440 -7.534 279 2HD LYS 39 HD1 LYS 39 -5.265 -0.711 -7.682 280 1HE LYS 39 HE2 LYS 39 -5.620 -2.627 -9.987 281 2HE LYS 39 HE1 LYS 39 -6.862 -1.538 -9.366 282 1HZ LYS 39 HZ1 LYS 39 -6.073 -0.104 -10.862 283 2HZ LYS 39 HZ2 LYS 39 -4.645 -0.974 -11.109 284 3HZ LYS 39 HZ3 LYS 39 -4.756 0.117 -9.822 285 H CYS 40 HN CYS 40 -1.696 -0.434 -5.119 286 HA CYS 40 HA CYS 40 -0.300 -1.985 -3.052 287 1HB CYS 40 HB2 CYS 40 0.103 0.867 -3.878 288 2HB CYS 40 HB1 CYS 40 0.466 0.337 -2.240 289 H PHE 41 HN PHE 41 -1.498 -2.358 -1.364 290 HA PHE 41 HA PHE 41 -3.620 -0.434 -0.662 291 1HB PHE 41 HB2 PHE 41 -3.403 -3.370 0.076 292 2HB PHE 41 HB1 PHE 41 -4.689 -2.279 0.588 293 HD1 PHE 41 HD1 PHE 41 -3.088 -2.938 -2.732 294 HD2 PHE 41 HD2 PHE 41 -6.647 -2.868 -0.404 295 HE1 PHE 41 HE1 PHE 41 -4.390 -3.552 -4.719 296 HE2 PHE 41 HE2 PHE 41 -7.959 -3.482 -2.386 297 HZ PHE 41 HZ PHE 41 -6.835 -3.812 -4.555 298 H CYS 42 HN CYS 42 -3.505 0.570 1.266 299 HA CYS 42 HA CYS 42 -1.229 -0.125 2.988 300 1HB CYS 42 HB2 CYS 42 -2.793 2.463 2.780 301 2HB CYS 42 HB1 CYS 42 -1.354 2.192 3.752 302 H THR 43 HN THR 43 -1.540 -0.421 5.199 303 HA THR 43 HA THR 43 -4.335 -0.785 6.036 304 HB THR 43 HB THR 43 -3.377 -2.297 7.747 305 HG1 THR 43 HG1 THR 43 -1.285 -1.308 7.806 306 1HG2 THR 43 HG21 THR 43 -2.433 -3.017 4.992 307 2HG2 THR 43 HG22 THR 43 -4.065 -3.260 5.608 308 3HG2 THR 43 HG23 THR 43 -2.714 -4.125 6.332 309 H GLN 44 HN GLN 44 -5.174 0.488 7.552 310 HA GLN 44 HA GLN 44 -3.338 1.957 9.341 311 1HB GLN 44 HB2 GLN 44 -4.376 3.460 7.660 312 2HB GLN 44 HB1 GLN 44 -5.966 2.968 8.222 313 1HG GLN 44 HG2 GLN 44 -5.511 3.928 10.410 314 2HG GLN 44 HG1 GLN 44 -3.889 4.376 9.889 315 1HE2 GLN 44 HE21 GLN 44 -6.794 5.621 10.510 316 2HE2 GLN 44 HE22 GLN 44 -6.805 6.956 9.415 317 H ASN 45 HN ASN 45 -4.033 2.297 11.469 318 HA ASN 45 HA ASN 45 -5.623 0.212 12.580 319 1HB ASN 45 HB2 ASN 45 -4.519 2.727 13.869 320 2HB ASN 45 HB1 ASN 45 -5.159 1.330 14.729 321 1HD2 ASN 45 HD21 ASN 45 -2.396 2.792 13.859 322 2HD2 ASN 45 HD22 ASN 45 -1.332 1.434 13.825 323 H CYS 46 HN CYS 46 -7.761 0.192 13.032 324 HA CYS 46 HA CYS 46 -9.232 2.647 13.471 325 1HB CYS 46 HB2 CYS 46 -10.871 2.224 11.677 326 2HB CYS 46 HB1 CYS 46 -9.256 2.526 11.036 Start of MODEL 13 1 1H LYS 1 HT1 LYS 1 -9.380 -5.792 15.139 2 2H LYS 1 HT2 LYS 1 -11.029 -5.661 14.792 3 3H LYS 1 HT3 LYS 1 -10.070 -4.270 14.856 4 HA LYS 1 HA LYS 1 -9.115 -6.243 12.982 5 1HB LYS 1 HB2 LYS 1 -11.798 -4.891 12.587 6 2HB LYS 1 HB1 LYS 1 -10.890 -5.671 11.301 7 1HG LYS 1 HG2 LYS 1 -11.070 -7.814 12.462 8 2HG LYS 1 HG1 LYS 1 -11.974 -7.035 13.764 9 1HD LYS 1 HD2 LYS 1 -13.735 -6.420 12.187 10 2HD LYS 1 HD1 LYS 1 -12.825 -7.159 10.869 11 1HE LYS 1 HE2 LYS 1 -13.009 -9.342 11.956 12 2HE LYS 1 HE1 LYS 1 -13.892 -8.607 13.296 13 1HZ LYS 1 HZ1 LYS 1 -15.179 -9.746 11.348 14 2HZ LYS 1 HZ2 LYS 1 -14.921 -8.273 10.555 15 3HZ LYS 1 HZ3 LYS 1 -15.766 -8.306 12.019 16 H THR 2 HN THR 2 -8.467 -5.116 10.953 17 HA THR 2 HA THR 2 -7.940 -2.252 11.447 18 HB THR 2 HB THR 2 -5.837 -2.487 10.227 19 HG1 THR 2 HG1 THR 2 -5.718 -4.094 8.893 20 1HG2 THR 2 HG21 THR 2 -5.736 -2.939 12.627 21 2HG2 THR 2 HG22 THR 2 -4.558 -3.888 11.720 22 3HG2 THR 2 HG23 THR 2 -6.036 -4.648 12.310 23 H CYS 3 HN CYS 3 -7.640 -0.945 9.444 24 HA CYS 3 HA CYS 3 -9.387 -1.982 7.297 25 1HB CYS 3 HB2 CYS 3 -9.026 0.843 8.300 26 2HB CYS 3 HB1 CYS 3 -9.891 0.441 6.821 27 H GLU 4 HN GLU 4 -8.586 -2.138 5.304 28 HA GLU 4 HA GLU 4 -6.003 -0.835 4.756 29 1HB GLU 4 HB2 GLU 4 -5.524 -2.605 3.167 30 2HB GLU 4 HB1 GLU 4 -5.900 -3.304 4.734 31 1HG GLU 4 HG2 GLU 4 -8.110 -3.911 3.981 32 2HG GLU 4 HG1 GLU 4 -7.840 -3.105 2.438 33 H HIS 5 HN HIS 5 -5.697 0.258 2.857 34 HA HIS 5 HA HIS 5 -7.920 0.458 0.975 35 1HB HIS 5 HB2 HIS 5 -6.704 2.839 2.396 36 2HB HIS 5 HB1 HIS 5 -7.735 2.964 0.975 37 HD1 HIS 5 HD1 HIS 5 -10.138 1.480 1.454 38 HD2 HIS 5 HD2 HIS 5 -8.147 3.274 4.628 39 HE1 HIS 5 HE1 HIS 5 -11.850 1.691 3.286 40 HE2 HIS 5 HE2 HIS 5 -10.638 2.835 5.178 41 H LEU 6 HN LEU 6 -7.334 1.001 -1.099 42 HA LEU 6 HA LEU 6 -4.506 0.695 -1.703 43 1HB LEU 6 HB2 LEU 6 -6.061 -0.695 -2.911 44 2HB LEU 6 HB1 LEU 6 -6.981 0.705 -3.434 45 HG LEU 6 HG LEU 6 -4.151 0.097 -4.301 46 1HD1 LEU 6 HD11 LEU 6 -6.007 -0.108 -6.414 47 2HD1 LEU 6 HD12 LEU 6 -6.642 -1.068 -5.078 48 3HD1 LEU 6 HD13 LEU 6 -5.027 -1.390 -5.704 49 1HD2 LEU 6 HD21 LEU 6 -5.460 1.694 -6.160 50 2HD2 LEU 6 HD22 LEU 6 -4.200 2.203 -5.037 51 3HD2 LEU 6 HD23 LEU 6 -5.899 2.385 -4.599 52 H ALA 7 HN ALA 7 -3.206 2.260 -2.430 53 HA ALA 7 HA ALA 7 -4.201 4.980 -2.394 54 1HB ALA 7 HB1 ALA 7 -1.475 3.748 -2.472 55 2HB ALA 7 HB2 ALA 7 -2.195 4.802 -1.257 56 3HB ALA 7 HB3 ALA 7 -1.695 5.465 -2.814 57 H ASP 8 HN ASP 8 -4.966 5.965 -4.118 58 HA ASP 8 HA ASP 8 -4.665 4.989 -6.772 59 1HB ASP 8 HB2 ASP 8 -5.751 7.627 -5.775 60 2HB ASP 8 HB1 ASP 8 -5.919 7.018 -7.417 61 H THR 9 HN THR 9 -2.553 6.828 -4.895 62 HA THR 9 HA THR 9 -1.348 8.075 -7.270 63 HB THR 9 HB THR 9 -0.069 9.470 -5.639 64 HG1 THR 9 HG1 THR 9 -1.738 9.064 -3.543 65 1HG2 THR 9 HG21 THR 9 -2.519 9.962 -6.566 66 2HG2 THR 9 HG22 THR 9 -1.647 11.058 -5.493 67 3HG2 THR 9 HG23 THR 9 -2.858 9.958 -4.836 68 H TYR 10 HN TYR 10 -0.835 5.584 -7.426 69 HA TYR 10 HA TYR 10 1.712 5.047 -6.068 70 1HB TYR 10 HB2 TYR 10 0.010 3.337 -5.701 71 2HB TYR 10 HB1 TYR 10 -0.217 3.154 -7.431 72 HD1 TYR 10 HD1 TYR 10 2.888 3.277 -5.341 73 HD2 TYR 10 HD2 TYR 10 0.462 1.038 -8.023 74 HE1 TYR 10 HE1 TYR 10 4.585 1.494 -5.382 75 HE2 TYR 10 HE2 TYR 10 2.154 -0.746 -8.069 76 HH TYR 10 HH TYR 10 4.969 -0.620 -7.543 77 H ARG 11 HN ARG 11 3.451 4.198 -7.277 78 HA ARG 11 HA ARG 11 3.508 5.140 -10.042 79 1HB ARG 11 HB2 ARG 11 6.026 5.149 -9.614 80 2HB ARG 11 HB1 ARG 11 5.046 6.377 -8.822 81 1HG ARG 11 HG2 ARG 11 5.053 5.090 -6.769 82 2HG ARG 11 HG1 ARG 11 5.994 3.816 -7.547 83 1HD ARG 11 HD2 ARG 11 7.418 5.272 -6.205 84 2HD ARG 11 HD1 ARG 11 7.824 5.382 -7.919 85 HE ARG 11 HE ARG 11 5.987 7.409 -7.306 86 1HH1 ARG 11 HH11 ARG 11 9.264 6.534 -6.579 87 2HH1 ARG 11 HH12 ARG 11 9.799 8.168 -6.419 88 1HH2 ARG 11 HH21 ARG 11 6.673 9.549 -7.088 89 2HH2 ARG 11 HH22 ARG 11 8.322 9.884 -6.701 90 H GLY 12 HN GLY 12 3.677 3.739 -11.634 91 1HA GLY 12 HA2 GLY 12 4.105 1.821 -12.822 92 2HA GLY 12 HA1 GLY 12 5.460 1.586 -11.727 93 H VAL 13 HN VAL 13 4.660 -0.683 -12.394 94 HA VAL 13 HA VAL 13 2.442 -1.642 -10.755 95 HB VAL 13 HB VAL 13 4.255 -3.241 -12.580 96 1HG1 VAL 13 HG11 VAL 13 3.203 -4.985 -11.673 97 2HG1 VAL 13 HG12 VAL 13 1.741 -4.415 -12.472 98 3HG1 VAL 13 HG13 VAL 13 2.076 -3.941 -10.808 99 1HG2 VAL 13 HG21 VAL 13 1.938 -3.085 -13.945 100 2HG2 VAL 13 HG22 VAL 13 3.297 -1.988 -14.197 101 3HG2 VAL 13 HG23 VAL 13 1.947 -1.500 -13.173 102 H CYS 14 HN CYS 14 2.716 -3.153 -9.044 103 HA CYS 14 HA CYS 14 5.245 -2.929 -7.683 104 1HB CYS 14 HB2 CYS 14 3.325 -2.875 -6.272 105 2HB CYS 14 HB1 CYS 14 2.711 -4.388 -6.949 106 H PHE 15 HN PHE 15 6.746 -4.445 -7.252 107 HA PHE 15 HA PHE 15 6.486 -7.033 -8.633 108 1HB PHE 15 HB2 PHE 15 9.009 -5.438 -8.109 109 2HB PHE 15 HB1 PHE 15 8.960 -7.049 -8.820 110 HD1 PHE 15 HD1 PHE 15 9.260 -7.126 -11.077 111 HD2 PHE 15 HD2 PHE 15 7.308 -3.739 -9.403 112 HE1 PHE 15 HE1 PHE 15 9.083 -6.122 -13.318 113 HE2 PHE 15 HE2 PHE 15 7.121 -2.735 -11.636 114 HZ PHE 15 HZ PHE 15 8.010 -3.924 -13.599 115 H THR 16 HN THR 16 8.136 -5.420 -5.915 116 HA THR 16 HA THR 16 7.887 -7.914 -4.361 117 HB THR 16 HB THR 16 9.926 -7.168 -3.122 118 HG1 THR 16 HG1 THR 16 9.786 -4.930 -3.686 119 1HG2 THR 16 HG21 THR 16 10.957 -7.155 -5.851 120 2HG2 THR 16 HG22 THR 16 9.843 -8.476 -5.501 121 3HG2 THR 16 HG23 THR 16 11.286 -8.254 -4.511 122 H ASN 17 HN ASN 17 7.285 -7.756 -2.184 123 HA ASN 17 HA ASN 17 5.334 -6.053 -1.409 124 1HB ASN 17 HB2 ASN 17 7.432 -7.371 0.321 125 2HB ASN 17 HB1 ASN 17 5.996 -6.587 0.963 126 1HD2 ASN 17 HD21 ASN 17 4.993 -7.890 -1.883 127 2HD2 ASN 17 HD22 ASN 17 4.452 -9.419 -1.310 128 H ALA 18 HN ALA 18 8.810 -5.442 -0.973 129 HA ALA 18 HA ALA 18 8.690 -3.176 0.630 130 1HB ALA 18 HB1 ALA 18 10.722 -4.525 -0.156 131 2HB ALA 18 HB2 ALA 18 10.916 -2.786 0.063 132 3HB ALA 18 HB3 ALA 18 10.721 -3.455 -1.558 133 H SER 19 HN SER 19 7.834 -3.484 -2.730 134 HA SER 19 HA SER 19 8.226 -0.831 -3.578 135 1HB SER 19 HB2 SER 19 7.789 -2.747 -5.097 136 2HB SER 19 HB1 SER 19 6.115 -2.774 -4.540 137 HG SER 19 HG SER 19 5.687 -1.052 -5.718 138 H CYS 20 HN CYS 20 5.331 -2.395 -2.179 139 HA CYS 20 HA CYS 20 3.834 0.060 -2.239 140 1HB CYS 20 HB2 CYS 20 3.285 -2.629 -1.008 141 2HB CYS 20 HB1 CYS 20 2.181 -1.269 -0.852 142 H ASP 21 HN ASP 21 5.560 -1.800 0.235 143 HA ASP 21 HA ASP 21 4.784 -0.537 2.542 144 1HB ASP 21 HB2 ASP 21 6.354 -2.421 2.510 145 2HB ASP 21 HB1 ASP 21 7.593 -1.397 1.806 146 H ASP 22 HN ASP 22 7.785 0.426 0.838 147 HA ASP 22 HA ASP 22 8.264 2.855 2.040 148 1HB ASP 22 HB2 ASP 22 9.833 1.946 0.444 149 2HB ASP 22 HB1 ASP 22 8.652 2.031 -0.851 150 H HIS 23 HN HIS 23 6.530 2.368 -0.970 151 HA HIS 23 HA HIS 23 5.550 4.831 -1.551 152 1HB HIS 23 HB2 HIS 23 5.207 2.974 -3.014 153 2HB HIS 23 HB1 HIS 23 4.317 2.090 -1.801 154 HD1 HIS 23 HD1 HIS 23 3.678 5.598 -3.092 155 HD2 HIS 23 HD2 HIS 23 1.908 1.883 -2.929 156 HE1 HIS 23 HE1 HIS 23 1.320 5.932 -3.909 157 HE2 HIS 23 HE2 HIS 23 0.297 3.643 -3.883 158 H CYS 24 HN CYS 24 3.719 2.426 0.350 159 HA CYS 24 HA CYS 24 1.674 4.138 1.163 160 1HB CYS 24 HB2 CYS 24 2.817 1.624 2.304 161 2HB CYS 24 HB1 CYS 24 1.639 2.533 3.247 162 H LYS 25 HN LYS 25 4.590 3.272 3.065 163 HA LYS 25 HA LYS 25 4.168 4.948 5.223 164 1HB LYS 25 HB2 LYS 25 6.734 4.053 3.932 165 2HB LYS 25 HB1 LYS 25 6.703 4.985 5.423 166 1HG LYS 25 HG2 LYS 25 5.422 3.215 6.510 167 2HG LYS 25 HG1 LYS 25 5.427 2.293 5.004 168 1HD LYS 25 HD2 LYS 25 7.831 2.087 5.079 169 2HD LYS 25 HD1 LYS 25 7.914 3.145 6.486 170 1HE LYS 25 HE2 LYS 25 8.144 0.721 7.010 171 2HE LYS 25 HE1 LYS 25 6.824 1.526 7.859 172 1HZ LYS 25 HZ1 LYS 25 5.394 0.089 6.996 173 2HZ LYS 25 HZ2 LYS 25 6.684 -0.748 6.243 174 3HZ LYS 25 HZ3 LYS 25 5.877 0.486 5.416 175 H ASN 26 HN ASN 26 5.915 5.740 2.226 176 HA ASN 26 HA ASN 26 6.357 8.456 3.066 177 1HB ASN 26 HB2 ASN 26 6.942 6.955 0.528 178 2HB ASN 26 HB1 ASN 26 7.296 8.660 0.706 179 1HD2 ASN 26 HD21 ASN 26 8.776 6.003 0.556 180 2HD2 ASN 26 HD22 ASN 26 10.005 6.208 1.748 181 H LYS 27 HN LYS 27 3.964 6.878 0.996 182 HA LYS 27 HA LYS 27 3.039 9.443 -0.016 183 1HB LYS 27 HB2 LYS 27 2.103 6.614 -0.450 184 2HB LYS 27 HB1 LYS 27 1.219 8.000 -1.079 185 1HG LYS 27 HG2 LYS 27 4.090 7.329 -1.695 186 2HG LYS 27 HG1 LYS 27 2.697 7.023 -2.752 187 1HD LYS 27 HD2 LYS 27 2.263 9.373 -2.969 188 2HD LYS 27 HD1 LYS 27 3.448 9.770 -1.723 189 1HE LYS 27 HE2 LYS 27 4.070 8.522 -4.405 190 2HE LYS 27 HE1 LYS 27 4.271 10.229 -3.999 191 1HZ LYS 27 HZ1 LYS 27 5.914 7.947 -3.245 192 2HZ LYS 27 HZ2 LYS 27 5.648 9.082 -2.020 193 3HZ LYS 27 HZ3 LYS 27 6.351 9.567 -3.479 194 H ALA 28 HN ALA 28 1.706 6.912 2.102 195 HA ALA 28 HA ALA 28 -0.055 8.971 3.236 196 1HB ALA 28 HB1 ALA 28 -0.829 6.138 2.553 197 2HB ALA 28 HB2 ALA 28 -1.464 7.619 1.837 198 3HB ALA 28 HB3 ALA 28 -1.811 7.236 3.523 199 H HIS 29 HN HIS 29 1.537 9.207 4.784 200 HA HIS 29 HA HIS 29 3.026 7.806 6.359 201 1HB HIS 29 HB2 HIS 29 2.584 10.217 6.617 202 2HB HIS 29 HB1 HIS 29 1.076 9.841 7.450 203 HD1 HIS 29 HD1 HIS 29 4.749 8.922 7.917 204 HD2 HIS 29 HD2 HIS 29 1.388 9.979 10.116 205 HE1 HIS 29 HE1 HIS 29 5.513 9.006 10.313 206 HE2 HIS 29 HE2 HIS 29 3.484 9.739 11.613 207 H LEU 30 HN LEU 30 1.971 5.694 6.199 208 HA LEU 30 HA LEU 30 0.433 5.109 8.643 209 1HB LEU 30 HB2 LEU 30 0.011 4.126 5.864 210 2HB LEU 30 HB1 LEU 30 -0.291 3.003 7.177 211 HG LEU 30 HG LEU 30 -2.363 4.028 6.512 212 1HD1 LEU 30 HD11 LEU 30 -1.888 3.610 8.941 213 2HD1 LEU 30 HD12 LEU 30 -3.160 4.781 8.597 214 3HD1 LEU 30 HD13 LEU 30 -1.562 5.338 9.092 215 1HD2 LEU 30 HD21 LEU 30 -1.609 6.041 5.476 216 2HD2 LEU 30 HD22 LEU 30 -0.978 6.653 7.005 217 3HD2 LEU 30 HD23 LEU 30 -2.717 6.467 6.779 218 H ILE 31 HN ILE 31 0.592 2.484 8.918 219 HA ILE 31 HA ILE 31 3.320 2.098 9.600 220 HB ILE 31 HB ILE 31 2.595 -0.063 10.523 221 1HG1 ILE 31 HG12 ILE 31 -0.135 0.792 9.555 222 2HG1 ILE 31 HG11 ILE 31 0.815 -0.555 8.931 223 1HG2 ILE 31 HG21 ILE 31 1.357 0.871 12.341 224 2HG2 ILE 31 HG22 ILE 31 0.805 2.211 11.338 225 3HG2 ILE 31 HG23 ILE 31 2.508 2.083 11.779 226 1HD1 ILE 31 HD11 ILE 31 -0.541 -1.685 10.351 227 2HD1 ILE 31 HD12 ILE 31 -0.724 -0.313 11.442 228 3HD1 ILE 31 HD13 ILE 31 0.752 -1.278 11.478 229 H SER 32 HN SER 32 1.204 0.287 7.315 230 HA SER 32 HA SER 32 3.624 -0.396 5.826 231 1HB SER 32 HB2 SER 32 3.336 -2.233 7.454 232 2HB SER 32 HB1 SER 32 1.720 -2.532 6.811 233 HG SER 32 HG SER 32 4.110 -3.369 5.859 234 H GLY 33 HN GLY 33 2.976 -1.908 3.908 235 1HA GLY 33 HA2 GLY 33 0.359 -1.484 2.777 236 2HA GLY 33 HA1 GLY 33 1.600 -0.493 2.016 237 H THR 34 HN THR 34 0.021 -3.431 1.903 238 HA THR 34 HA THR 34 2.261 -4.846 0.647 239 HB THR 34 HB THR 34 -0.502 -5.845 1.380 240 HG1 THR 34 HG1 THR 34 2.011 -6.150 2.662 241 1HG2 THR 34 HG21 THR 34 0.254 -7.309 -0.287 242 2HG2 THR 34 HG22 THR 34 0.650 -8.094 1.242 243 3HG2 THR 34 HG23 THR 34 1.911 -7.277 0.321 244 H CYS 35 HN CYS 35 1.800 -6.112 -1.351 245 HA CYS 35 HA CYS 35 0.380 -4.421 -3.270 246 1HB CYS 35 HB2 CYS 35 2.307 -6.705 -3.749 247 2HB CYS 35 HB1 CYS 35 1.635 -5.644 -4.989 248 H HIS 36 HN HIS 36 -1.596 -4.946 -3.925 249 HA HIS 36 HA HIS 36 -2.373 -7.798 -4.020 250 1HB HIS 36 HB2 HIS 36 -4.146 -5.427 -3.387 251 2HB HIS 36 HB1 HIS 36 -4.703 -7.080 -3.590 252 HD1 HIS 36 HD1 HIS 36 -3.230 -8.770 -1.826 253 HD2 HIS 36 HD2 HIS 36 -3.956 -4.828 -0.792 254 HE1 HIS 36 HE1 HIS 36 -3.052 -8.687 0.674 255 HE2 HIS 36 HE2 HIS 36 -3.763 -6.352 1.285 256 H ASN 37 HN ASN 37 -3.042 -8.504 -5.993 257 HA ASN 37 HA ASN 37 -3.451 -8.469 -8.254 258 1HB ASN 37 HB2 ASN 37 -5.034 -6.010 -7.457 259 2HB ASN 37 HB1 ASN 37 -5.207 -6.875 -8.984 260 1HD2 ASN 37 HD21 ASN 37 -6.467 -6.499 -5.977 261 2HD2 ASN 37 HD22 ASN 37 -7.306 -8.000 -5.830 262 H TRP 38 HN TRP 38 -1.046 -7.169 -7.360 263 HA TRP 38 HA TRP 38 0.706 -6.035 -8.249 264 1HB TRP 38 HB2 TRP 38 -1.119 -5.423 -10.583 265 2HB TRP 38 HB1 TRP 38 0.620 -5.214 -10.549 266 HD1 TRP 38 HD1 TRP 38 -2.035 -7.883 -10.708 267 HE1 TRP 38 HE1 TRP 38 -0.997 -10.078 -11.586 268 HE3 TRP 38 HE3 TRP 38 2.855 -6.476 -10.707 269 HZ2 TRP 38 HZ2 TRP 38 1.581 -11.064 -12.180 270 HZ3 TRP 38 HZ3 TRP 38 4.555 -8.094 -11.441 271 HH2 TRP 38 HH2 TRP 38 3.930 -10.342 -12.160 272 H LYS 39 HN LYS 39 -1.860 -4.707 -6.899 273 HA LYS 39 HA LYS 39 -1.078 -1.916 -7.446 274 1HB LYS 39 HB2 LYS 39 -3.639 -2.987 -6.241 275 2HB LYS 39 HB1 LYS 39 -3.282 -1.291 -6.541 276 1HG LYS 39 HG2 LYS 39 -3.189 -1.715 -8.933 277 2HG LYS 39 HG1 LYS 39 -3.493 -3.431 -8.651 278 1HD LYS 39 HD2 LYS 39 -5.662 -2.861 -7.639 279 2HD LYS 39 HD1 LYS 39 -5.357 -1.155 -7.972 280 1HE LYS 39 HE2 LYS 39 -5.266 -1.641 -10.369 281 2HE LYS 39 HE1 LYS 39 -5.568 -3.348 -10.035 282 1HZ LYS 39 HZ1 LYS 39 -7.693 -2.587 -8.944 283 2HZ LYS 39 HZ2 LYS 39 -7.635 -2.407 -10.624 284 3HZ LYS 39 HZ3 LYS 39 -7.418 -1.061 -9.623 285 H CYS 40 HN CYS 40 -1.588 -0.477 -5.337 286 HA CYS 40 HA CYS 40 -0.263 -1.855 -3.111 287 1HB CYS 40 HB2 CYS 40 0.005 0.971 -4.097 288 2HB CYS 40 HB1 CYS 40 0.438 0.517 -2.451 289 H PHE 41 HN PHE 41 -1.250 -2.100 -1.314 290 HA PHE 41 HA PHE 41 -3.503 -0.327 -0.623 291 1HB PHE 41 HB2 PHE 41 -3.081 -3.236 0.127 292 2HB PHE 41 HB1 PHE 41 -4.405 -2.224 0.697 293 HD1 PHE 41 HD1 PHE 41 -6.318 -3.158 -0.150 294 HD2 PHE 41 HD2 PHE 41 -2.982 -2.611 -2.738 295 HE1 PHE 41 HE1 PHE 41 -7.681 -3.882 -2.061 296 HE2 PHE 41 HE2 PHE 41 -4.337 -3.325 -4.650 297 HZ PHE 41 HZ PHE 41 -6.695 -3.950 -4.324 298 H CYS 42 HN CYS 42 -3.469 0.564 1.435 299 HA CYS 42 HA CYS 42 -0.999 0.058 2.953 300 1HB CYS 42 HB2 CYS 42 -2.866 2.450 3.006 301 2HB CYS 42 HB1 CYS 42 -1.379 2.286 3.927 302 H THR 43 HN THR 43 -1.200 0.027 5.334 303 HA THR 43 HA THR 43 -3.771 -1.140 6.151 304 HB THR 43 HB THR 43 -2.424 -2.182 7.979 305 HG1 THR 43 HG1 THR 43 -0.222 -2.069 7.904 306 1HG2 THR 43 HG21 THR 43 -1.932 -3.978 6.746 307 2HG2 THR 43 HG22 THR 43 -0.937 -3.054 5.620 308 3HG2 THR 43 HG23 THR 43 -2.692 -3.068 5.443 309 H GLN 44 HN GLN 44 -5.033 -0.059 7.489 310 HA GLN 44 HA GLN 44 -3.821 1.922 9.306 311 1HB GLN 44 HB2 GLN 44 -4.865 3.019 7.349 312 2HB GLN 44 HB1 GLN 44 -6.391 2.246 7.746 313 1HG GLN 44 HG2 GLN 44 -6.504 3.474 9.833 314 2HG GLN 44 HG1 GLN 44 -4.934 4.208 9.508 315 1HE2 GLN 44 HE21 GLN 44 -8.104 4.832 9.498 316 2HE2 GLN 44 HE22 GLN 44 -8.184 6.027 8.255 317 H ASN 45 HN ASN 45 -4.671 2.065 11.340 318 HA ASN 45 HA ASN 45 -6.195 -0.169 12.287 319 1HB ASN 45 HB2 ASN 45 -5.280 2.333 13.734 320 2HB ASN 45 HB1 ASN 45 -5.913 0.876 14.494 321 1HD2 ASN 45 HD21 ASN 45 -3.166 2.487 13.763 322 2HD2 ASN 45 HD22 ASN 45 -2.050 1.172 13.780 323 H CYS 46 HN CYS 46 -8.301 -0.217 13.031 324 HA CYS 46 HA CYS 46 -9.897 2.187 13.189 325 1HB CYS 46 HB2 CYS 46 -11.560 1.424 11.512 326 2HB CYS 46 HB1 CYS 46 -9.995 1.821 10.801 Start of MODEL 14 1 1H LYS 1 HT1 LYS 1 -8.469 -7.933 12.397 2 2H LYS 1 HT2 LYS 1 -7.204 -6.861 12.075 3 3H LYS 1 HT3 LYS 1 -8.409 -7.115 10.916 4 HA LYS 1 HA LYS 1 -10.045 -6.025 12.209 5 1HB LYS 1 HB2 LYS 1 -7.914 -5.896 14.358 6 2HB LYS 1 HB1 LYS 1 -9.510 -5.170 14.468 7 1HG LYS 1 HG2 LYS 1 -10.535 -7.386 14.371 8 2HG LYS 1 HG1 LYS 1 -8.934 -8.123 14.247 9 1HD LYS 1 HD2 LYS 1 -8.338 -7.159 16.429 10 2HD LYS 1 HD1 LYS 1 -9.958 -6.470 16.555 11 1HE LYS 1 HE2 LYS 1 -10.921 -8.715 16.489 12 2HE LYS 1 HE1 LYS 1 -9.303 -9.408 16.346 13 1HZ LYS 1 HZ1 LYS 1 -8.772 -8.375 18.516 14 2HZ LYS 1 HZ2 LYS 1 -10.002 -9.531 18.619 15 3HZ LYS 1 HZ3 LYS 1 -10.386 -7.884 18.658 16 H THR 2 HN THR 2 -8.435 -5.195 10.149 17 HA THR 2 HA THR 2 -8.103 -2.370 10.782 18 HB THR 2 HB THR 2 -5.935 -2.298 9.525 19 HG1 THR 2 HG1 THR 2 -4.949 -4.102 8.947 20 1HG2 THR 2 HG21 THR 2 -5.394 -2.107 11.704 21 2HG2 THR 2 HG22 THR 2 -4.641 -3.667 11.376 22 3HG2 THR 2 HG23 THR 2 -6.217 -3.597 12.160 23 H CYS 3 HN CYS 3 -7.772 -1.058 8.746 24 HA CYS 3 HA CYS 3 -9.335 -2.301 6.574 25 1HB CYS 3 HB2 CYS 3 -9.156 0.611 7.368 26 2HB CYS 3 HB1 CYS 3 -10.051 -0.001 5.982 27 H GLU 4 HN GLU 4 -8.665 -2.162 4.480 28 HA GLU 4 HA GLU 4 -6.006 -0.973 4.034 29 1HB GLU 4 HB2 GLU 4 -7.245 -3.379 2.684 30 2HB GLU 4 HB1 GLU 4 -5.735 -2.632 2.185 31 1HG GLU 4 HG2 GLU 4 -4.814 -3.121 4.440 32 2HG GLU 4 HG1 GLU 4 -6.299 -3.995 4.807 33 H HIS 5 HN HIS 5 -5.694 0.386 2.354 34 HA HIS 5 HA HIS 5 -7.866 0.753 0.421 35 1HB HIS 5 HB2 HIS 5 -6.630 2.998 2.031 36 2HB HIS 5 HB1 HIS 5 -7.737 3.215 0.681 37 HD1 HIS 5 HD1 HIS 5 -10.087 1.668 1.152 38 HD2 HIS 5 HD2 HIS 5 -7.953 3.203 4.368 39 HE1 HIS 5 HE1 HIS 5 -11.698 1.671 3.085 40 HE2 HIS 5 HE2 HIS 5 -10.425 2.747 4.976 41 H LEU 6 HN LEU 6 -7.268 1.513 -1.576 42 HA LEU 6 HA LEU 6 -4.424 1.333 -2.201 43 1HB LEU 6 HB2 LEU 6 -5.930 0.005 -3.533 44 2HB LEU 6 HB1 LEU 6 -6.904 1.412 -3.932 45 HG LEU 6 HG LEU 6 -5.502 0.611 -5.799 46 1HD1 LEU 6 HD11 LEU 6 -4.410 3.269 -4.991 47 2HD1 LEU 6 HD12 LEU 6 -6.119 3.080 -5.376 48 3HD1 LEU 6 HD13 LEU 6 -4.894 2.692 -6.582 49 1HD2 LEU 6 HD21 LEU 6 -3.119 1.578 -4.269 50 2HD2 LEU 6 HD22 LEU 6 -3.172 0.631 -5.753 51 3HD2 LEU 6 HD23 LEU 6 -3.640 -0.106 -4.220 52 H ALA 7 HN ALA 7 -3.189 3.086 -2.453 53 HA ALA 7 HA ALA 7 -4.363 5.714 -2.339 54 1HB ALA 7 HB1 ALA 7 -1.554 5.803 -2.892 55 2HB ALA 7 HB2 ALA 7 -1.885 4.591 -1.651 56 3HB ALA 7 HB3 ALA 7 -2.422 6.254 -1.423 57 H ASP 8 HN ASP 8 -4.608 7.180 -3.913 58 HA ASP 8 HA ASP 8 -4.225 6.308 -6.657 59 1HB ASP 8 HB2 ASP 8 -5.502 8.418 -7.181 60 2HB ASP 8 HB1 ASP 8 -6.361 7.260 -6.172 61 H THR 9 HN THR 9 -1.912 7.242 -4.891 62 HA THR 9 HA THR 9 -0.944 9.445 -6.593 63 HB THR 9 HB THR 9 -0.954 10.098 -4.295 64 HG1 THR 9 HG1 THR 9 0.933 10.939 -4.512 65 1HG2 THR 9 HG21 THR 9 0.362 7.481 -3.778 66 2HG2 THR 9 HG22 THR 9 -1.035 8.205 -2.991 67 3HG2 THR 9 HG23 THR 9 0.584 8.839 -2.680 68 H TYR 10 HN TYR 10 -0.241 6.190 -5.497 69 HA TYR 10 HA TYR 10 1.905 6.016 -7.503 70 1HB TYR 10 HB2 TYR 10 3.118 6.144 -5.455 71 2HB TYR 10 HB1 TYR 10 2.027 5.008 -4.678 72 HD1 TYR 10 HD1 TYR 10 4.193 5.153 -7.681 73 HD2 TYR 10 HD2 TYR 10 2.810 2.817 -4.410 74 HE1 TYR 10 HE1 TYR 10 5.694 3.337 -8.359 75 HE2 TYR 10 HE2 TYR 10 4.323 0.990 -5.077 76 HH TYR 10 HH TYR 10 6.845 1.376 -7.145 77 H ARG 11 HN ARG 11 1.204 4.572 -8.972 78 HA ARG 11 HA ARG 11 0.267 1.982 -8.030 79 1HB ARG 11 HB2 ARG 11 -1.390 3.721 -9.857 80 2HB ARG 11 HB1 ARG 11 -1.749 2.048 -9.454 81 1HG ARG 11 HG2 ARG 11 -2.094 2.630 -7.128 82 2HG ARG 11 HG1 ARG 11 -1.606 4.298 -7.440 83 1HD ARG 11 HD2 ARG 11 -3.999 2.897 -8.649 84 2HD ARG 11 HD1 ARG 11 -4.049 4.078 -7.337 85 HE ARG 11 HE ARG 11 -2.757 5.292 -9.487 86 1HH1 ARG 11 HH11 ARG 11 -5.917 4.014 -8.784 87 2HH1 ARG 11 HH12 ARG 11 -6.734 5.108 -9.841 88 1HH2 ARG 11 HH21 ARG 11 -3.839 6.727 -10.884 89 2HH2 ARG 11 HH22 ARG 11 -5.558 6.647 -11.031 90 H GLY 12 HN GLY 12 1.661 0.658 -9.017 91 1HA GLY 12 HA2 GLY 12 1.748 0.655 -11.935 92 2HA GLY 12 HA1 GLY 12 3.286 0.889 -11.112 93 H VAL 13 HN VAL 13 3.947 -1.104 -12.196 94 HA VAL 13 HA VAL 13 2.668 -3.582 -11.413 95 HB VAL 13 HB VAL 13 5.301 -3.186 -12.852 96 1HG1 VAL 13 HG11 VAL 13 3.646 -5.580 -12.194 97 2HG1 VAL 13 HG12 VAL 13 5.397 -5.372 -12.146 98 3HG1 VAL 13 HG13 VAL 13 4.573 -5.559 -13.695 99 1HG2 VAL 13 HG21 VAL 13 2.482 -3.286 -13.823 100 2HG2 VAL 13 HG22 VAL 13 3.767 -3.957 -14.827 101 3HG2 VAL 13 HG23 VAL 13 3.818 -2.261 -14.347 102 H CYS 14 HN CYS 14 3.021 -4.485 -9.447 103 HA CYS 14 HA CYS 14 5.436 -3.722 -7.991 104 1HB CYS 14 HB2 CYS 14 3.482 -3.619 -6.646 105 2HB CYS 14 HB1 CYS 14 2.982 -5.247 -7.123 106 H PHE 15 HN PHE 15 6.990 -5.089 -7.223 107 HA PHE 15 HA PHE 15 7.028 -7.804 -8.364 108 1HB PHE 15 HB2 PHE 15 9.372 -5.925 -7.977 109 2HB PHE 15 HB1 PHE 15 9.486 -7.585 -8.557 110 HD1 PHE 15 HD1 PHE 15 9.678 -7.887 -10.813 111 HD2 PHE 15 HD2 PHE 15 7.643 -4.432 -9.389 112 HE1 PHE 15 HE1 PHE 15 9.406 -7.094 -13.127 113 HE2 PHE 15 HE2 PHE 15 7.362 -3.638 -11.697 114 HZ PHE 15 HZ PHE 15 8.244 -4.969 -13.571 115 H THR 16 HN THR 16 8.128 -5.740 -5.700 116 HA THR 16 HA THR 16 8.217 -8.113 -3.958 117 HB THR 16 HB THR 16 10.162 -7.131 -2.789 118 HG1 THR 16 HG1 THR 16 9.807 -4.943 -3.383 119 1HG2 THR 16 HG21 THR 16 11.252 -7.051 -5.488 120 2HG2 THR 16 HG22 THR 16 10.269 -8.478 -5.158 121 3HG2 THR 16 HG23 THR 16 11.650 -8.101 -4.128 122 H ASN 17 HN ASN 17 7.573 -7.791 -1.818 123 HA ASN 17 HA ASN 17 5.490 -6.096 -1.283 124 1HB ASN 17 HB2 ASN 17 7.478 -7.249 0.685 125 2HB ASN 17 HB1 ASN 17 5.887 -6.621 1.102 126 1HD2 ASN 17 HD21 ASN 17 4.474 -8.183 1.451 127 2HD2 ASN 17 HD22 ASN 17 4.402 -9.693 0.618 128 H ALA 18 HN ALA 18 8.930 -5.422 -0.823 129 HA ALA 18 HA ALA 18 8.791 -3.139 0.770 130 1HB ALA 18 HB1 ALA 18 10.817 -3.581 -1.415 131 2HB ALA 18 HB2 ALA 18 10.848 -4.434 0.129 132 3HB ALA 18 HB3 ALA 18 11.021 -2.679 0.087 133 H SER 19 HN SER 19 7.905 -3.494 -2.565 134 HA SER 19 HA SER 19 8.330 -0.874 -3.488 135 1HB SER 19 HB2 SER 19 7.904 -2.677 -5.028 136 2HB SER 19 HB1 SER 19 6.309 -2.961 -4.334 137 HG SER 19 HG SER 19 7.156 -0.634 -5.733 138 H CYS 20 HN CYS 20 5.382 -2.313 -2.060 139 HA CYS 20 HA CYS 20 3.991 0.218 -2.133 140 1HB CYS 20 HB2 CYS 20 3.242 -2.376 -0.782 141 2HB CYS 20 HB1 CYS 20 2.198 -0.987 -1.005 142 H ASP 21 HN ASP 21 5.600 -1.770 0.278 143 HA ASP 21 HA ASP 21 4.841 -0.552 2.634 144 1HB ASP 21 HB2 ASP 21 6.401 -2.499 2.465 145 2HB ASP 21 HB1 ASP 21 7.665 -1.404 1.918 146 H ASP 22 HN ASP 22 7.629 0.303 0.609 147 HA ASP 22 HA ASP 22 8.409 2.688 1.819 148 1HB ASP 22 HB2 ASP 22 9.583 1.445 -0.050 149 2HB ASP 22 HB1 ASP 22 8.405 2.129 -1.160 150 H HIS 23 HN HIS 23 6.157 2.152 -0.861 151 HA HIS 23 HA HIS 23 5.267 4.690 -1.414 152 1HB HIS 23 HB2 HIS 23 4.544 2.832 -2.736 153 2HB HIS 23 HB1 HIS 23 3.819 2.040 -1.363 154 HD1 HIS 23 HD1 HIS 23 3.288 5.509 -2.734 155 HD2 HIS 23 HD2 HIS 23 1.169 2.082 -1.925 156 HE1 HIS 23 HE1 HIS 23 0.872 6.090 -3.156 157 HE2 HIS 23 HE2 HIS 23 -0.346 3.921 -2.865 158 H CYS 24 HN CYS 24 3.743 2.443 0.868 159 HA CYS 24 HA CYS 24 1.869 4.229 1.907 160 1HB CYS 24 HB2 CYS 24 3.145 1.777 3.095 161 2HB CYS 24 HB1 CYS 24 1.855 2.669 3.902 162 H LYS 25 HN LYS 25 5.236 3.742 2.910 163 HA LYS 25 HA LYS 25 4.911 5.421 5.225 164 1HB LYS 25 HB2 LYS 25 7.323 4.213 3.899 165 2HB LYS 25 HB1 LYS 25 7.449 5.281 5.292 166 1HG LYS 25 HG2 LYS 25 6.070 3.752 6.601 167 2HG LYS 25 HG1 LYS 25 5.923 2.685 5.201 168 1HD LYS 25 HD2 LYS 25 8.246 2.180 5.236 169 2HD LYS 25 HD1 LYS 25 8.572 3.457 6.410 170 1HE LYS 25 HE2 LYS 25 8.594 1.232 7.439 171 2HE LYS 25 HE1 LYS 25 7.328 2.261 8.106 172 1HZ LYS 25 HZ1 LYS 25 5.678 1.018 7.127 173 2HZ LYS 25 HZ2 LYS 25 6.817 -0.187 7.452 174 3HZ LYS 25 HZ3 LYS 25 6.672 0.425 5.868 175 H ASN 26 HN ASN 26 6.029 5.919 1.926 176 HA ASN 26 HA ASN 26 6.918 8.615 2.544 177 1HB ASN 26 HB2 ASN 26 6.961 6.954 0.036 178 2HB ASN 26 HB1 ASN 26 7.491 8.618 0.074 179 1HD2 ASN 26 HD21 ASN 26 8.601 5.738 -0.042 180 2HD2 ASN 26 HD22 ASN 26 10.053 5.906 0.869 181 H LYS 27 HN LYS 27 4.144 7.113 0.929 182 HA LYS 27 HA LYS 27 3.231 9.723 -0.018 183 1HB LYS 27 HB2 LYS 27 1.998 6.979 -0.285 184 2HB LYS 27 HB1 LYS 27 1.339 8.443 -0.994 185 1HG LYS 27 HG2 LYS 27 4.056 7.320 -1.631 186 2HG LYS 27 HG1 LYS 27 2.591 7.020 -2.571 187 1HD LYS 27 HD2 LYS 27 2.383 9.461 -2.945 188 2HD LYS 27 HD1 LYS 27 3.915 9.691 -2.095 189 1HE LYS 27 HE2 LYS 27 5.066 8.353 -3.761 190 2HE LYS 27 HE1 LYS 27 3.542 8.022 -4.584 191 1HZ LYS 27 HZ1 LYS 27 5.109 10.504 -4.512 192 2HZ LYS 27 HZ2 LYS 27 3.428 10.616 -4.684 193 3HZ LYS 27 HZ3 LYS 27 4.339 9.757 -5.822 194 H ALA 28 HN ALA 28 1.794 7.124 1.981 195 HA ALA 28 HA ALA 28 0.265 9.194 3.408 196 1HB ALA 28 HB1 ALA 28 -0.974 6.552 3.358 197 2HB ALA 28 HB2 ALA 28 -0.814 7.285 1.764 198 3HB ALA 28 HB3 ALA 28 -1.674 8.141 3.044 199 H HIS 29 HN HIS 29 1.904 9.226 4.933 200 HA HIS 29 HA HIS 29 3.307 7.560 6.376 201 1HB HIS 29 HB2 HIS 29 3.181 9.992 6.732 202 2HB HIS 29 HB1 HIS 29 1.665 9.787 7.595 203 HD1 HIS 29 HD1 HIS 29 2.124 7.815 9.679 204 HD2 HIS 29 HD2 HIS 29 5.113 10.435 8.490 205 HE1 HIS 29 HE1 HIS 29 3.725 7.940 11.629 206 HE2 HIS 29 HE2 HIS 29 5.524 9.545 10.887 207 H LEU 30 HN LEU 30 1.953 5.591 6.161 208 HA LEU 30 HA LEU 30 0.252 5.183 8.538 209 1HB LEU 30 HB2 LEU 30 0.138 4.064 5.789 210 2HB LEU 30 HB1 LEU 30 -0.332 3.001 7.103 211 HG LEU 30 HG LEU 30 -2.277 4.078 6.108 212 1HD1 LEU 30 HD11 LEU 30 -2.873 3.664 8.240 213 2HD1 LEU 30 HD12 LEU 30 -2.923 5.425 8.317 214 3HD1 LEU 30 HD13 LEU 30 -1.511 4.557 8.916 215 1HD2 LEU 30 HD21 LEU 30 -1.474 6.102 5.236 216 2HD2 LEU 30 HD22 LEU 30 -0.829 6.615 6.794 217 3HD2 LEU 30 HD23 LEU 30 -2.573 6.557 6.536 218 H ILE 31 HN ILE 31 0.271 2.528 8.925 219 HA ILE 31 HA ILE 31 2.846 2.118 10.046 220 HB ILE 31 HB ILE 31 1.945 -0.025 10.873 221 1HG1 ILE 31 HG12 ILE 31 -0.585 0.887 9.495 222 2HG1 ILE 31 HG11 ILE 31 0.408 -0.491 9.034 223 1HG2 ILE 31 HG21 ILE 31 1.737 1.789 12.334 224 2HG2 ILE 31 HG22 ILE 31 0.126 1.075 12.279 225 3HG2 ILE 31 HG23 ILE 31 0.472 2.539 11.359 226 1HD1 ILE 31 HD11 ILE 31 -1.069 -0.187 11.636 227 2HD1 ILE 31 HD12 ILE 31 -0.109 -1.583 11.142 228 3HD1 ILE 31 HD13 ILE 31 -1.581 -1.170 10.264 229 H SER 32 HN SER 32 1.086 0.292 7.491 230 HA SER 32 HA SER 32 3.663 -0.380 6.323 231 1HB SER 32 HB2 SER 32 3.274 -2.805 6.335 232 2HB SER 32 HB1 SER 32 3.360 -2.166 7.978 233 HG SER 32 HG SER 32 1.534 -3.229 8.159 234 H GLY 33 HN GLY 33 3.452 -1.633 4.278 235 1HA GLY 33 HA2 GLY 33 0.843 -1.364 2.956 236 2HA GLY 33 HA1 GLY 33 2.217 -0.517 2.259 237 H THR 34 HN THR 34 0.385 -3.070 1.724 238 HA THR 34 HA THR 34 2.628 -4.739 0.774 239 HB THR 34 HB THR 34 -0.125 -5.610 1.690 240 HG1 THR 34 HG1 THR 34 0.857 -5.919 3.505 241 1HG2 THR 34 HG21 THR 34 0.402 -7.131 -0.027 242 2HG2 THR 34 HG22 THR 34 0.849 -7.923 1.485 243 3HG2 THR 34 HG23 THR 34 2.095 -7.212 0.462 244 H CYS 35 HN CYS 35 2.138 -6.025 -1.204 245 HA CYS 35 HA CYS 35 0.815 -4.326 -3.163 246 1HB CYS 35 HB2 CYS 35 2.573 -6.762 -3.464 247 2HB CYS 35 HB1 CYS 35 1.844 -5.909 -4.823 248 H HIS 36 HN HIS 36 -1.112 -4.695 -4.033 249 HA HIS 36 HA HIS 36 -2.227 -7.433 -3.910 250 1HB HIS 36 HB2 HIS 36 -3.708 -4.820 -3.550 251 2HB HIS 36 HB1 HIS 36 -4.483 -6.387 -3.743 252 HD1 HIS 36 HD1 HIS 36 -3.613 -8.193 -1.804 253 HD2 HIS 36 HD2 HIS 36 -3.389 -4.140 -0.982 254 HE1 HIS 36 HE1 HIS 36 -3.585 -8.011 0.695 255 HE2 HIS 36 HE2 HIS 36 -3.634 -5.541 1.189 256 H ASN 37 HN ASN 37 -2.791 -8.221 -5.854 257 HA ASN 37 HA ASN 37 -2.576 -8.234 -8.176 258 1HB ASN 37 HB2 ASN 37 -4.750 -7.551 -9.121 259 2HB ASN 37 HB1 ASN 37 -4.891 -8.540 -7.678 260 1HD2 ASN 37 HD21 ASN 37 -4.086 -5.225 -7.061 261 2HD2 ASN 37 HD22 ASN 37 -5.666 -4.735 -6.597 262 H TRP 38 HN TRP 38 -0.667 -6.709 -8.129 263 HA TRP 38 HA TRP 38 0.530 -5.045 -9.110 264 1HB TRP 38 HB2 TRP 38 -1.878 -4.744 -10.901 265 2HB TRP 38 HB1 TRP 38 -0.262 -4.170 -11.229 266 HD1 TRP 38 HD1 TRP 38 -1.612 -7.614 -10.236 267 HE1 TRP 38 HE1 TRP 38 -0.618 -9.371 -11.844 268 HE3 TRP 38 HE3 TRP 38 1.115 -4.496 -13.165 269 HZ2 TRP 38 HZ2 TRP 38 1.117 -9.397 -14.077 270 HZ3 TRP 38 HZ3 TRP 38 2.422 -5.445 -15.025 271 HH2 TRP 38 HH2 TRP 38 2.422 -7.847 -15.469 272 H LYS 39 HN LYS 39 -1.394 -4.311 -6.891 273 HA LYS 39 HA LYS 39 -1.296 -1.407 -7.357 274 1HB LYS 39 HB2 LYS 39 -3.628 -2.898 -6.147 275 2HB LYS 39 HB1 LYS 39 -3.480 -1.151 -6.224 276 1HG LYS 39 HG2 LYS 39 -3.539 -1.250 -8.656 277 2HG LYS 39 HG1 LYS 39 -3.659 -3.012 -8.582 278 1HD LYS 39 HD2 LYS 39 -5.763 -2.788 -7.315 279 2HD LYS 39 HD1 LYS 39 -5.652 -1.035 -7.473 280 1HE LYS 39 HE2 LYS 39 -5.756 -1.255 -9.912 281 2HE LYS 39 HE1 LYS 39 -5.879 -3.009 -9.745 282 1HZ LYS 39 HZ1 LYS 39 -8.073 -2.394 -9.945 283 2HZ LYS 39 HZ2 LYS 39 -7.876 -0.941 -9.102 284 3HZ LYS 39 HZ3 LYS 39 -7.911 -2.408 -8.261 285 H CYS 40 HN CYS 40 -1.140 -0.119 -5.383 286 HA CYS 40 HA CYS 40 -0.055 -1.684 -3.148 287 1HB CYS 40 HB2 CYS 40 0.557 1.097 -4.124 288 2HB CYS 40 HB1 CYS 40 1.017 0.532 -2.522 289 H PHE 41 HN PHE 41 -1.357 -1.942 -1.509 290 HA PHE 41 HA PHE 41 -3.220 0.226 -0.771 291 1HB PHE 41 HB2 PHE 41 -3.324 -2.701 0.014 292 2HB PHE 41 HB1 PHE 41 -4.492 -1.472 0.475 293 HD1 PHE 41 HD1 PHE 41 -2.963 -2.463 -2.793 294 HD2 PHE 41 HD2 PHE 41 -6.491 -1.863 -0.503 295 HE1 PHE 41 HE1 PHE 41 -4.322 -3.050 -4.740 296 HE2 PHE 41 HE2 PHE 41 -7.859 -2.443 -2.456 297 HZ PHE 41 HZ PHE 41 -6.777 -3.025 -4.590 298 H CYS 42 HN CYS 42 -3.322 0.857 1.421 299 HA CYS 42 HA CYS 42 -0.936 0.113 2.963 300 1HB CYS 42 HB2 CYS 42 -2.619 2.628 3.001 301 2HB CYS 42 HB1 CYS 42 -1.289 2.303 4.105 302 H THR 43 HN THR 43 -1.205 0.137 5.358 303 HA THR 43 HA THR 43 -3.812 -1.000 6.098 304 HB THR 43 HB THR 43 -2.503 -1.992 8.008 305 HG1 THR 43 HG1 THR 43 -0.086 -2.026 7.065 306 1HG2 THR 43 HG21 THR 43 -2.070 -3.865 6.864 307 2HG2 THR 43 HG22 THR 43 -1.088 -3.030 5.660 308 3HG2 THR 43 HG23 THR 43 -2.846 -3.001 5.537 309 H GLN 44 HN GLN 44 -5.059 0.014 7.525 310 HA GLN 44 HA GLN 44 -3.851 1.978 9.347 311 1HB GLN 44 HB2 GLN 44 -4.779 3.172 7.379 312 2HB GLN 44 HB1 GLN 44 -6.353 2.467 7.715 313 1HG GLN 44 HG2 GLN 44 -6.463 3.647 9.832 314 2HG GLN 44 HG1 GLN 44 -4.846 4.298 9.574 315 1HE2 GLN 44 HE21 GLN 44 -7.973 5.106 9.500 316 2HE2 GLN 44 HE22 GLN 44 -7.946 6.346 8.298 317 H ASN 45 HN ASN 45 -5.000 2.354 11.272 318 HA ASN 45 HA ASN 45 -6.413 0.077 12.269 319 1HB ASN 45 HB2 ASN 45 -5.827 2.770 13.524 320 2HB ASN 45 HB1 ASN 45 -6.464 1.371 14.382 321 1HD2 ASN 45 HD21 ASN 45 -4.959 0.429 15.557 322 2HD2 ASN 45 HD22 ASN 45 -3.301 0.233 15.116 323 H CYS 46 HN CYS 46 -8.552 -0.232 12.494 324 HA CYS 46 HA CYS 46 -10.414 1.987 12.519 325 1HB CYS 46 HB2 CYS 46 -11.746 1.123 10.621 326 2HB CYS 46 HB1 CYS 46 -10.142 1.660 10.123 Start of MODEL 15 1 1H LYS 1 HT1 LYS 1 -10.373 -3.132 16.361 2 2H LYS 1 HT2 LYS 1 -11.326 -2.327 15.218 3 3H LYS 1 HT3 LYS 1 -9.797 -1.725 15.613 4 HA LYS 1 HA LYS 1 -9.071 -4.133 14.833 5 1HB LYS 1 HB2 LYS 1 -11.597 -3.465 13.294 6 2HB LYS 1 HB1 LYS 1 -10.439 -4.689 12.795 7 1HG LYS 1 HG2 LYS 1 -10.864 -5.926 14.865 8 2HG LYS 1 HG1 LYS 1 -12.049 -4.706 15.341 9 1HD LYS 1 HD2 LYS 1 -13.407 -5.227 13.393 10 2HD LYS 1 HD1 LYS 1 -12.197 -6.385 12.835 11 1HE LYS 1 HE2 LYS 1 -12.563 -7.722 14.866 12 2HE LYS 1 HE1 LYS 1 -13.800 -6.577 15.388 13 1HZ LYS 1 HZ1 LYS 1 -14.892 -8.406 14.359 14 2HZ LYS 1 HZ2 LYS 1 -13.879 -8.349 13.004 15 3HZ LYS 1 HZ3 LYS 1 -14.998 -7.109 13.275 16 H THR 2 HN THR 2 -8.558 -4.109 12.228 17 HA THR 2 HA THR 2 -7.729 -1.351 11.601 18 HB THR 2 HB THR 2 -5.656 -2.279 10.618 19 HG1 THR 2 HG1 THR 2 -5.493 -4.631 11.737 20 1HG2 THR 2 HG21 THR 2 -5.768 -1.572 13.047 21 2HG2 THR 2 HG22 THR 2 -4.454 -2.659 12.596 22 3HG2 THR 2 HG23 THR 2 -5.873 -3.288 13.433 23 H CYS 3 HN CYS 3 -7.900 -0.692 9.493 24 HA CYS 3 HA CYS 3 -9.182 -2.623 7.670 25 1HB CYS 3 HB2 CYS 3 -10.208 -0.533 6.622 26 2HB CYS 3 HB1 CYS 3 -10.803 -1.000 8.209 27 H GLU 4 HN GLU 4 -8.560 -2.732 5.549 28 HA GLU 4 HA GLU 4 -6.039 -1.369 4.897 29 1HB GLU 4 HB2 GLU 4 -5.618 -3.189 3.301 30 2HB GLU 4 HB1 GLU 4 -5.855 -3.817 4.924 31 1HG GLU 4 HG2 GLU 4 -8.092 -4.524 4.377 32 2HG GLU 4 HG1 GLU 4 -7.985 -3.767 2.792 33 H HIS 5 HN HIS 5 -5.816 -0.260 2.989 34 HA HIS 5 HA HIS 5 -8.099 -0.161 1.159 35 1HB HIS 5 HB2 HIS 5 -6.911 2.273 2.503 36 2HB HIS 5 HB1 HIS 5 -8.051 2.330 1.163 37 HD1 HIS 5 HD1 HIS 5 -10.328 0.710 1.849 38 HD2 HIS 5 HD2 HIS 5 -8.205 2.693 4.818 39 HE1 HIS 5 HE1 HIS 5 -11.904 0.873 3.806 40 HE2 HIS 5 HE2 HIS 5 -10.567 2.004 5.619 41 H LEU 6 HN LEU 6 -7.639 0.625 -0.915 42 HA LEU 6 HA LEU 6 -4.881 0.257 -1.712 43 1HB LEU 6 HB2 LEU 6 -6.658 -0.823 -2.984 44 2HB LEU 6 HB1 LEU 6 -7.386 0.736 -3.331 45 HG LEU 6 HG LEU 6 -4.649 -0.097 -4.307 46 1HD1 LEU 6 HD11 LEU 6 -7.062 0.048 -6.051 47 2HD1 LEU 6 HD12 LEU 6 -6.780 -1.399 -5.083 48 3HD1 LEU 6 HD13 LEU 6 -5.574 -0.875 -6.256 49 1HD2 LEU 6 HD21 LEU 6 -5.801 1.798 -5.992 50 2HD2 LEU 6 HD22 LEU 6 -4.481 2.059 -4.854 51 3HD2 LEU 6 HD23 LEU 6 -6.145 2.379 -4.364 52 H ALA 7 HN ALA 7 -3.489 1.825 -2.251 53 HA ALA 7 HA ALA 7 -4.366 4.589 -1.930 54 1HB ALA 7 HB1 ALA 7 -1.671 4.710 -2.432 55 2HB ALA 7 HB2 ALA 7 -1.852 3.152 -1.623 56 3HB ALA 7 HB3 ALA 7 -2.425 4.624 -0.840 57 H ASP 8 HN ASP 8 -4.823 5.897 -3.535 58 HA ASP 8 HA ASP 8 -4.498 5.108 -6.276 59 1HB ASP 8 HB2 ASP 8 -5.561 7.669 -5.070 60 2HB ASP 8 HB1 ASP 8 -5.700 7.206 -6.762 61 H THR 9 HN THR 9 -2.362 6.603 -4.167 62 HA THR 9 HA THR 9 -1.067 8.136 -6.331 63 HB THR 9 HB THR 9 0.168 9.312 -4.558 64 HG1 THR 9 HG1 THR 9 -0.267 8.897 -2.408 65 1HG2 THR 9 HG21 THR 9 -1.498 10.713 -3.839 66 2HG2 THR 9 HG22 THR 9 -2.655 9.401 -3.619 67 3HG2 THR 9 HG23 THR 9 -2.249 9.956 -5.243 68 H TYR 10 HN TYR 10 -0.734 5.598 -6.733 69 HA TYR 10 HA TYR 10 1.813 4.807 -5.497 70 1HB TYR 10 HB2 TYR 10 -0.140 3.279 -5.245 71 2HB TYR 10 HB1 TYR 10 -0.221 3.122 -6.993 72 HD1 TYR 10 HD1 TYR 10 0.255 0.889 -7.416 73 HD2 TYR 10 HD2 TYR 10 2.762 3.063 -4.753 74 HE1 TYR 10 HE1 TYR 10 1.830 -0.996 -7.369 75 HE2 TYR 10 HE2 TYR 10 4.343 1.176 -4.694 76 HH TYR 10 HH TYR 10 3.715 -1.759 -5.422 77 H ARG 11 HN ARG 11 2.665 2.985 -7.512 78 HA ARG 11 HA ARG 11 3.465 4.829 -9.630 79 1HB ARG 11 HB2 ARG 11 4.840 2.249 -8.855 80 2HB ARG 11 HB1 ARG 11 5.511 3.618 -9.732 81 1HG ARG 11 HG2 ARG 11 5.324 4.967 -7.644 82 2HG ARG 11 HG1 ARG 11 4.808 3.504 -6.801 83 1HD ARG 11 HD2 ARG 11 7.433 3.832 -8.259 84 2HD ARG 11 HD1 ARG 11 7.219 3.990 -6.516 85 HE ARG 11 HE ARG 11 6.230 1.491 -7.259 86 1HH1 ARG 11 HH11 ARG 11 9.298 3.149 -7.199 87 2HH1 ARG 11 HH12 ARG 11 10.216 1.701 -6.983 88 1HH2 ARG 11 HH21 ARG 11 7.447 -0.408 -6.968 89 2HH2 ARG 11 HH22 ARG 11 9.167 -0.311 -6.851 90 H GLY 12 HN GLY 12 4.585 2.518 -11.141 91 1HA GLY 12 HA2 GLY 12 2.132 1.799 -12.554 92 2HA GLY 12 HA1 GLY 12 3.774 1.576 -13.142 93 H VAL 13 HN VAL 13 4.754 -0.381 -12.882 94 HA VAL 13 HA VAL 13 3.094 -2.562 -11.894 95 HB VAL 13 HB VAL 13 5.793 -2.655 -13.256 96 1HG1 VAL 13 HG11 VAL 13 3.861 -4.790 -12.422 97 2HG1 VAL 13 HG12 VAL 13 5.605 -4.702 -12.176 98 3HG1 VAL 13 HG13 VAL 13 4.959 -5.037 -13.782 99 1HG2 VAL 13 HG21 VAL 13 3.076 -3.152 -14.462 100 2HG2 VAL 13 HG22 VAL 13 4.630 -3.146 -15.294 101 3HG2 VAL 13 HG23 VAL 13 3.980 -1.649 -14.627 102 H CYS 14 HN CYS 14 3.608 -3.939 -10.192 103 HA CYS 14 HA CYS 14 5.748 -2.981 -8.407 104 1HB CYS 14 HB2 CYS 14 3.563 -3.044 -7.341 105 2HB CYS 14 HB1 CYS 14 3.363 -4.741 -7.791 106 H PHE 15 HN PHE 15 7.197 -4.411 -7.417 107 HA PHE 15 HA PHE 15 7.426 -7.045 -8.701 108 1HB PHE 15 HB2 PHE 15 9.708 -5.182 -8.007 109 2HB PHE 15 HB1 PHE 15 9.879 -6.810 -8.658 110 HD1 PHE 15 HD1 PHE 15 10.394 -6.935 -10.870 111 HD2 PHE 15 HD2 PHE 15 8.014 -3.678 -9.523 112 HE1 PHE 15 HE1 PHE 15 10.350 -6.026 -13.156 113 HE2 PHE 15 HE2 PHE 15 7.957 -2.767 -11.804 114 HZ PHE 15 HZ PHE 15 9.126 -3.942 -13.627 115 H THR 16 HN THR 16 8.504 -5.133 -5.876 116 HA THR 16 HA THR 16 8.416 -7.623 -4.293 117 HB THR 16 HB THR 16 10.272 -6.743 -2.951 118 HG1 THR 16 HG1 THR 16 9.771 -4.482 -3.407 119 1HG2 THR 16 HG21 THR 16 11.310 -6.338 -5.685 120 2HG2 THR 16 HG22 THR 16 10.575 -7.900 -5.321 121 3HG2 THR 16 HG23 THR 16 11.942 -7.323 -4.365 122 H ASN 17 HN ASN 17 7.568 -7.559 -2.246 123 HA ASN 17 HA ASN 17 5.429 -6.032 -1.598 124 1HB ASN 17 HB2 ASN 17 7.455 -7.137 0.366 125 2HB ASN 17 HB1 ASN 17 5.784 -6.723 0.733 126 1HD2 ASN 17 HD21 ASN 17 4.566 -8.472 0.923 127 2HD2 ASN 17 HD22 ASN 17 4.706 -9.912 -0.019 128 H ALA 18 HN ALA 18 8.797 -5.149 -1.085 129 HA ALA 18 HA ALA 18 8.533 -3.033 0.700 130 1HB ALA 18 HB1 ALA 18 10.722 -2.616 0.298 131 2HB ALA 18 HB2 ALA 18 10.543 -2.745 -1.452 132 3HB ALA 18 HB3 ALA 18 10.623 -4.204 -0.464 133 H SER 19 HN SER 19 7.755 -3.096 -2.719 134 HA SER 19 HA SER 19 7.920 -0.386 -3.342 135 1HB SER 19 HB2 SER 19 5.962 -2.461 -4.353 136 2HB SER 19 HB1 SER 19 6.183 -0.869 -5.077 137 HG SER 19 HG SER 19 8.045 -2.999 -4.916 138 H CYS 20 HN CYS 20 5.041 -2.139 -2.119 139 HA CYS 20 HA CYS 20 3.452 0.211 -1.904 140 1HB CYS 20 HB2 CYS 20 3.133 -2.540 -0.708 141 2HB CYS 20 HB1 CYS 20 1.928 -1.263 -0.560 142 H ASP 21 HN ASP 21 5.317 -1.665 0.446 143 HA ASP 21 HA ASP 21 4.552 -0.417 2.799 144 1HB ASP 21 HB2 ASP 21 6.047 -2.429 2.549 145 2HB ASP 21 HB1 ASP 21 7.358 -1.331 2.127 146 H ASP 22 HN ASP 22 7.520 0.356 0.960 147 HA ASP 22 HA ASP 22 8.210 2.734 2.240 148 1HB ASP 22 HB2 ASP 22 9.619 1.522 0.564 149 2HB ASP 22 HB1 ASP 22 8.551 2.094 -0.711 150 H HIS 23 HN HIS 23 6.354 2.261 -0.708 151 HA HIS 23 HA HIS 23 5.582 4.792 -1.374 152 1HB HIS 23 HB2 HIS 23 4.935 3.127 -2.841 153 2HB HIS 23 HB1 HIS 23 4.317 2.092 -1.579 154 HD1 HIS 23 HD1 HIS 23 3.209 5.605 -2.221 155 HD2 HIS 23 HD2 HIS 23 1.814 1.766 -2.557 156 HE1 HIS 23 HE1 HIS 23 0.756 5.820 -2.807 157 HE2 HIS 23 HE2 HIS 23 -0.017 3.469 -3.132 158 H CYS 24 HN CYS 24 3.506 2.658 0.586 159 HA CYS 24 HA CYS 24 1.755 4.680 1.400 160 1HB CYS 24 HB2 CYS 24 2.434 1.998 2.564 161 2HB CYS 24 HB1 CYS 24 1.279 3.057 3.370 162 H LYS 25 HN LYS 25 4.677 3.463 3.081 163 HA LYS 25 HA LYS 25 4.436 5.040 5.380 164 1HB LYS 25 HB2 LYS 25 6.885 3.993 3.956 165 2HB LYS 25 HB1 LYS 25 6.969 4.846 5.494 166 1HG LYS 25 HG2 LYS 25 5.639 3.155 6.569 167 2HG LYS 25 HG1 LYS 25 5.369 2.336 5.030 168 1HD LYS 25 HD2 LYS 25 7.719 1.799 4.855 169 2HD LYS 25 HD1 LYS 25 8.072 2.728 6.314 170 1HE LYS 25 HE2 LYS 25 6.818 1.191 7.668 171 2HE LYS 25 HE1 LYS 25 6.236 0.338 6.238 172 1HZ LYS 25 HZ1 LYS 25 8.156 -0.712 7.488 173 2HZ LYS 25 HZ2 LYS 25 9.125 0.529 6.865 174 3HZ LYS 25 HZ3 LYS 25 8.337 -0.549 5.799 175 H ASN 26 HN ASN 26 5.727 5.880 2.205 176 HA ASN 26 HA ASN 26 6.537 8.526 3.106 177 1HB ASN 26 HB2 ASN 26 6.756 7.075 0.478 178 2HB ASN 26 HB1 ASN 26 7.257 8.732 0.679 179 1HD2 ASN 26 HD21 ASN 26 8.361 5.829 0.458 180 2HD2 ASN 26 HD22 ASN 26 9.780 5.956 1.425 181 H LYS 27 HN LYS 27 4.052 7.119 0.968 182 HA LYS 27 HA LYS 27 3.058 9.695 0.145 183 1HB LYS 27 HB2 LYS 27 1.846 6.940 -0.120 184 2HB LYS 27 HB1 LYS 27 1.197 8.390 -0.871 185 1HG LYS 27 HG2 LYS 27 3.923 7.235 -1.401 186 2HG LYS 27 HG1 LYS 27 2.492 6.985 -2.422 187 1HD LYS 27 HD2 LYS 27 2.384 9.411 -2.819 188 2HD LYS 27 HD1 LYS 27 3.815 9.640 -1.807 189 1HE LYS 27 HE2 LYS 27 4.347 9.627 -4.210 190 2HE LYS 27 HE1 LYS 27 5.151 8.325 -3.327 191 1HZ LYS 27 HZ1 LYS 27 4.105 6.792 -4.543 192 2HZ LYS 27 HZ2 LYS 27 3.641 8.037 -5.585 193 3HZ LYS 27 HZ3 LYS 27 2.580 7.521 -4.361 194 H ALA 28 HN ALA 28 1.676 7.119 2.188 195 HA ALA 28 HA ALA 28 0.248 9.184 3.704 196 1HB ALA 28 HB1 ALA 28 -1.036 6.586 2.865 197 2HB ALA 28 HB2 ALA 28 -1.297 8.131 2.052 198 3HB ALA 28 HB3 ALA 28 -1.787 7.925 3.732 199 H HIS 29 HN HIS 29 1.839 8.942 5.213 200 HA HIS 29 HA HIS 29 3.166 7.084 6.421 201 1HB HIS 29 HB2 HIS 29 3.124 9.429 7.142 202 2HB HIS 29 HB1 HIS 29 1.587 9.152 7.959 203 HD1 HIS 29 HD1 HIS 29 5.017 7.492 8.078 204 HD2 HIS 29 HD2 HIS 29 2.004 8.846 10.594 205 HE1 HIS 29 HE1 HIS 29 5.838 7.032 10.413 206 HE2 HIS 29 HE2 HIS 29 4.076 8.032 11.914 207 H LEU 30 HN LEU 30 1.962 5.164 6.027 208 HA LEU 30 HA LEU 30 0.086 4.434 8.180 209 1HB LEU 30 HB2 LEU 30 0.361 3.525 5.377 210 2HB LEU 30 HB1 LEU 30 -0.039 2.281 6.547 211 HG LEU 30 HG LEU 30 -2.039 3.529 7.208 212 1HD1 LEU 30 HD11 LEU 30 -2.768 5.495 6.170 213 2HD1 LEU 30 HD12 LEU 30 -1.508 5.415 4.940 214 3HD1 LEU 30 HD13 LEU 30 -1.086 5.789 6.612 215 1HD2 LEU 30 HD21 LEU 30 -1.548 2.306 4.675 216 2HD2 LEU 30 HD22 LEU 30 -2.775 3.559 4.504 217 3HD2 LEU 30 HD23 LEU 30 -2.997 2.261 5.677 218 H ILE 31 HN ILE 31 0.269 1.832 8.469 219 HA ILE 31 HA ILE 31 2.839 1.482 9.710 220 HB ILE 31 HB ILE 31 1.868 -0.622 10.600 221 1HG1 ILE 31 HG12 ILE 31 -0.647 0.396 9.282 222 2HG1 ILE 31 HG11 ILE 31 0.261 -1.040 8.820 223 1HG2 ILE 31 HG21 ILE 31 1.800 1.634 11.707 224 2HG2 ILE 31 HG22 ILE 31 0.611 0.463 12.271 225 3HG2 ILE 31 HG23 ILE 31 0.126 1.753 11.171 226 1HD1 ILE 31 HD11 ILE 31 -1.332 -2.020 10.089 227 2HD1 ILE 31 HD12 ILE 31 -1.564 -0.593 11.097 228 3HD1 ILE 31 HD13 ILE 31 -0.177 -1.648 11.366 229 H SER 32 HN SER 32 0.990 -0.254 7.200 230 HA SER 32 HA SER 32 3.501 -1.259 6.123 231 1HB SER 32 HB2 SER 32 1.319 -3.106 7.117 232 2HB SER 32 HB1 SER 32 2.668 -3.619 6.102 233 HG SER 32 HG SER 32 3.905 -2.458 7.971 234 H GLY 33 HN GLY 33 3.203 -2.454 4.035 235 1HA GLY 33 HA2 GLY 33 0.682 -1.955 2.646 236 2HA GLY 33 HA1 GLY 33 2.073 -1.050 2.066 237 H THR 34 HN THR 34 0.270 -3.479 1.135 238 HA THR 34 HA THR 34 2.553 -5.018 0.073 239 HB THR 34 HB THR 34 -0.123 -6.085 0.987 240 HG1 THR 34 HG1 THR 34 2.193 -5.792 2.233 241 1HG2 THR 34 HG21 THR 34 0.644 -7.252 -1.063 242 2HG2 THR 34 HG22 THR 34 0.570 -8.279 0.368 243 3HG2 THR 34 HG23 THR 34 2.125 -7.683 -0.207 244 H CYS 35 HN CYS 35 2.311 -5.921 -2.026 245 HA CYS 35 HA CYS 35 0.683 -4.270 -3.780 246 1HB CYS 35 HB2 CYS 35 2.831 -6.316 -4.344 247 2HB CYS 35 HB1 CYS 35 1.946 -5.459 -5.605 248 H HIS 36 HN HIS 36 -1.051 -4.865 -4.875 249 HA HIS 36 HA HIS 36 -1.806 -7.717 -4.989 250 1HB HIS 36 HB2 HIS 36 -3.561 -5.359 -4.285 251 2HB HIS 36 HB1 HIS 36 -4.193 -6.947 -4.696 252 HD1 HIS 36 HD1 HIS 36 -3.195 -8.924 -3.052 253 HD2 HIS 36 HD2 HIS 36 -3.133 -5.024 -1.665 254 HE1 HIS 36 HE1 HIS 36 -2.980 -9.110 -0.552 255 HE2 HIS 36 HE2 HIS 36 -3.116 -6.733 0.283 256 H ASN 37 HN ASN 37 -1.560 -8.145 -7.134 257 HA ASN 37 HA ASN 37 -1.656 -7.907 -9.413 258 1HB ASN 37 HB2 ASN 37 -4.354 -6.770 -8.637 259 2HB ASN 37 HB1 ASN 37 -3.913 -7.294 -10.262 260 1HD2 ASN 37 HD21 ASN 37 -4.710 -9.211 -10.737 261 2HD2 ASN 37 HD22 ASN 37 -4.919 -10.526 -9.638 262 H TRP 38 HN TRP 38 0.030 -6.108 -8.790 263 HA TRP 38 HA TRP 38 1.035 -4.168 -9.414 264 1HB TRP 38 HB2 TRP 38 -1.323 -4.057 -11.286 265 2HB TRP 38 HB1 TRP 38 -0.088 -2.807 -11.259 266 HD1 TRP 38 HD1 TRP 38 1.441 -3.084 -13.216 267 HE1 TRP 38 HE1 TRP 38 2.537 -5.030 -14.495 268 HE3 TRP 38 HE3 TRP 38 -0.558 -7.038 -10.634 269 HZ2 TRP 38 HZ2 TRP 38 2.554 -7.829 -14.437 270 HZ3 TRP 38 HZ3 TRP 38 0.055 -9.314 -11.320 271 HH2 TRP 38 HH2 TRP 38 1.579 -9.702 -13.185 272 H LYS 39 HN LYS 39 -1.551 -4.239 -7.480 273 HA LYS 39 HA LYS 39 -1.737 -1.300 -7.251 274 1HB LYS 39 HB2 LYS 39 -3.748 -3.404 -6.437 275 2HB LYS 39 HB1 LYS 39 -3.952 -1.670 -6.229 276 1HG LYS 39 HG2 LYS 39 -3.946 -1.364 -8.642 277 2HG LYS 39 HG1 LYS 39 -3.668 -3.093 -8.872 278 1HD LYS 39 HD2 LYS 39 -5.806 -3.583 -7.784 279 2HD LYS 39 HD1 LYS 39 -6.086 -1.859 -7.547 280 1HE LYS 39 HE2 LYS 39 -6.050 -1.542 -9.991 281 2HE LYS 39 HE1 LYS 39 -5.834 -3.283 -10.193 282 1HZ LYS 39 HZ1 LYS 39 -8.187 -1.895 -9.026 283 2HZ LYS 39 HZ2 LYS 39 -7.967 -3.571 -8.967 284 3HZ LYS 39 HZ3 LYS 39 -8.135 -2.792 -10.459 285 H CYS 40 HN CYS 40 -2.031 -0.443 -5.015 286 HA CYS 40 HA CYS 40 -0.628 -2.121 -3.051 287 1HB CYS 40 HB2 CYS 40 -0.497 0.852 -3.532 288 2HB CYS 40 HB1 CYS 40 -0.049 0.145 -1.984 289 H PHE 41 HN PHE 41 -1.776 -2.816 -1.440 290 HA PHE 41 HA PHE 41 -4.036 -1.184 -0.451 291 1HB PHE 41 HB2 PHE 41 -3.707 -4.194 -0.268 292 2HB PHE 41 HB1 PHE 41 -5.061 -3.270 0.354 293 HD1 PHE 41 HD1 PHE 41 -6.941 -3.839 -0.805 294 HD2 PHE 41 HD2 PHE 41 -3.330 -3.235 -2.973 295 HE1 PHE 41 HE1 PHE 41 -8.151 -4.185 -2.914 296 HE2 PHE 41 HE2 PHE 41 -4.539 -3.576 -5.075 297 HZ PHE 41 HZ PHE 41 -6.950 -4.047 -5.059 298 H CYS 42 HN CYS 42 -3.329 -0.178 1.360 299 HA CYS 42 HA CYS 42 -1.561 -1.687 3.153 300 1HB CYS 42 HB2 CYS 42 -1.926 1.276 2.746 301 2HB CYS 42 HB1 CYS 42 -0.974 0.579 4.053 302 H THR 43 HN THR 43 -1.841 -1.326 5.482 303 HA THR 43 HA THR 43 -4.699 -1.071 6.142 304 HB THR 43 HB THR 43 -3.820 -3.277 6.624 305 HG1 THR 43 HG1 THR 43 -4.456 -3.387 8.746 306 1HG2 THR 43 HG21 THR 43 -1.659 -1.801 8.036 307 2HG2 THR 43 HG22 THR 43 -1.566 -3.221 6.994 308 3HG2 THR 43 HG23 THR 43 -2.176 -3.373 8.642 309 H GLN 44 HN GLN 44 -5.409 0.255 7.685 310 HA GLN 44 HA GLN 44 -3.450 1.814 9.214 311 1HB GLN 44 HB2 GLN 44 -4.070 3.103 7.220 312 2HB GLN 44 HB1 GLN 44 -5.770 2.947 7.636 313 1HG GLN 44 HG2 GLN 44 -5.375 4.246 9.676 314 2HG GLN 44 HG1 GLN 44 -3.676 4.406 9.241 315 1HE2 GLN 44 HE21 GLN 44 -5.400 4.524 6.404 316 2HE2 GLN 44 HE22 GLN 44 -5.580 6.233 6.275 317 H ASN 45 HN ASN 45 -4.326 2.791 11.143 318 HA ASN 45 HA ASN 45 -6.183 1.107 12.494 319 1HB ASN 45 HB2 ASN 45 -4.965 3.758 13.296 320 2HB ASN 45 HB1 ASN 45 -5.870 2.702 14.371 321 1HD2 ASN 45 HD21 ASN 45 -4.282 0.552 12.527 322 2HD2 ASN 45 HD22 ASN 45 -2.825 0.398 13.432 323 H CYS 46 HN CYS 46 -8.322 1.272 12.636 324 HA CYS 46 HA CYS 46 -9.666 3.837 12.390 325 1HB CYS 46 HB2 CYS 46 -11.219 2.994 10.652 326 2HB CYS 46 HB1 CYS 46 -9.568 3.132 10.058 Start of MODEL 16 1 1H LYS 1 HT1 LYS 1 -8.434 -6.297 11.843 2 2H LYS 1 HT2 LYS 1 -10.019 -6.712 12.248 3 3H LYS 1 HT3 LYS 1 -8.767 -6.977 13.353 4 HA LYS 1 HA LYS 1 -10.361 -4.672 12.981 5 1HB LYS 1 HB2 LYS 1 -8.112 -5.305 14.914 6 2HB LYS 1 HB1 LYS 1 -9.312 -4.035 15.117 7 1HG LYS 1 HG2 LYS 1 -11.083 -5.698 15.270 8 2HG LYS 1 HG1 LYS 1 -9.909 -6.991 15.015 9 1HD LYS 1 HD2 LYS 1 -8.756 -6.351 17.079 10 2HD LYS 1 HD1 LYS 1 -9.925 -5.053 17.331 11 1HE LYS 1 HE2 LYS 1 -11.724 -6.698 17.491 12 2HE LYS 1 HE1 LYS 1 -10.565 -8.001 17.216 13 1HZ LYS 1 HZ1 LYS 1 -11.302 -7.175 19.640 14 2HZ LYS 1 HZ2 LYS 1 -9.942 -6.195 19.413 15 3HZ LYS 1 HZ3 LYS 1 -9.795 -7.877 19.320 16 H THR 2 HN THR 2 -9.137 -4.386 10.735 17 HA THR 2 HA THR 2 -7.541 -1.999 11.043 18 HB THR 2 HB THR 2 -5.702 -2.794 9.581 19 HG1 THR 2 HG1 THR 2 -6.754 -4.548 8.599 20 1HG2 THR 2 HG21 THR 2 -4.414 -3.851 11.178 21 2HG2 THR 2 HG22 THR 2 -5.791 -4.707 11.868 22 3HG2 THR 2 HG23 THR 2 -5.604 -2.976 12.145 23 H CYS 3 HN CYS 3 -7.368 -0.776 9.100 24 HA CYS 3 HA CYS 3 -9.310 -1.605 7.037 25 1HB CYS 3 HB2 CYS 3 -8.486 1.171 7.909 26 2HB CYS 3 HB1 CYS 3 -9.546 0.833 6.544 27 H GLU 4 HN GLU 4 -8.712 -1.723 4.972 28 HA GLU 4 HA GLU 4 -5.941 -1.010 4.309 29 1HB GLU 4 HB2 GLU 4 -6.106 -2.700 2.491 30 2HB GLU 4 HB1 GLU 4 -6.268 -3.385 4.100 31 1HG GLU 4 HG2 GLU 4 -8.657 -2.706 2.412 32 2HG GLU 4 HG1 GLU 4 -7.827 -4.249 2.277 33 H HIS 5 HN HIS 5 -5.582 0.538 2.879 34 HA HIS 5 HA HIS 5 -7.785 1.302 1.067 35 1HB HIS 5 HB2 HIS 5 -5.866 3.135 2.523 36 2HB HIS 5 HB1 HIS 5 -7.019 3.660 1.302 37 HD1 HIS 5 HD1 HIS 5 -9.620 2.707 2.036 38 HD2 HIS 5 HD2 HIS 5 -6.836 3.618 4.981 39 HE1 HIS 5 HE1 HIS 5 -10.960 3.078 4.134 40 HE2 HIS 5 HE2 HIS 5 -9.264 3.796 5.855 41 H LEU 6 HN LEU 6 -7.288 1.768 -1.021 42 HA LEU 6 HA LEU 6 -4.610 1.076 -1.940 43 1HB LEU 6 HB2 LEU 6 -6.312 0.003 -3.164 44 2HB LEU 6 HB1 LEU 6 -7.252 1.481 -3.323 45 HG LEU 6 HG LEU 6 -5.476 2.379 -4.827 46 1HD1 LEU 6 HD11 LEU 6 -4.019 0.493 -5.829 47 2HD1 LEU 6 HD12 LEU 6 -4.300 -0.312 -4.284 48 3HD1 LEU 6 HD13 LEU 6 -3.518 1.269 -4.329 49 1HD2 LEU 6 HD21 LEU 6 -6.227 1.249 -6.724 50 2HD2 LEU 6 HD22 LEU 6 -7.555 1.135 -5.569 51 3HD2 LEU 6 HD23 LEU 6 -6.497 -0.251 -5.837 52 H ALA 7 HN ALA 7 -3.143 2.532 -2.595 53 HA ALA 7 HA ALA 7 -3.858 5.355 -2.520 54 1HB ALA 7 HB1 ALA 7 -1.351 3.805 -2.348 55 2HB ALA 7 HB2 ALA 7 -1.867 5.234 -1.455 56 3HB ALA 7 HB3 ALA 7 -1.231 5.402 -3.091 57 H ASP 8 HN ASP 8 -4.018 6.678 -4.240 58 HA ASP 8 HA ASP 8 -4.093 5.489 -6.869 59 1HB ASP 8 HB2 ASP 8 -4.686 8.303 -5.953 60 2HB ASP 8 HB1 ASP 8 -4.984 7.680 -7.572 61 H THR 9 HN THR 9 -1.702 7.227 -5.111 62 HA THR 9 HA THR 9 -0.361 7.987 -7.620 63 HB THR 9 HB THR 9 1.063 9.469 -6.257 64 HG1 THR 9 HG1 THR 9 -0.622 9.016 -4.051 65 1HG2 THR 9 HG21 THR 9 -0.538 10.887 -6.909 66 2HG2 THR 9 HG22 THR 9 -0.997 10.841 -5.207 67 3HG2 THR 9 HG23 THR 9 -1.847 9.831 -6.376 68 H TYR 10 HN TYR 10 0.018 5.602 -7.732 69 HA TYR 10 HA TYR 10 2.355 4.793 -6.140 70 1HB TYR 10 HB2 TYR 10 0.346 3.357 -5.937 71 2HB TYR 10 HB1 TYR 10 0.380 3.067 -7.669 72 HD1 TYR 10 HD1 TYR 10 0.853 0.820 -7.967 73 HD2 TYR 10 HD2 TYR 10 3.128 3.053 -5.151 74 HE1 TYR 10 HE1 TYR 10 2.351 -1.105 -7.655 75 HE2 TYR 10 HE2 TYR 10 4.627 1.131 -4.829 76 HH TYR 10 HH TYR 10 4.456 -1.385 -5.106 77 H ARG 11 HN ARG 11 3.500 2.848 -7.778 78 HA ARG 11 HA ARG 11 4.445 4.448 -10.025 79 1HB ARG 11 HB2 ARG 11 5.857 2.042 -8.921 80 2HB ARG 11 HB1 ARG 11 6.535 3.425 -9.763 81 1HG ARG 11 HG2 ARG 11 6.112 4.823 -7.785 82 2HG ARG 11 HG1 ARG 11 5.451 3.417 -6.943 83 1HD ARG 11 HD2 ARG 11 7.800 3.854 -6.324 84 2HD ARG 11 HD1 ARG 11 7.584 2.278 -7.090 85 HE ARG 11 HE ARG 11 8.275 4.101 -9.088 86 1HH1 ARG 11 HH11 ARG 11 9.752 2.700 -6.258 87 2HH1 ARG 11 HH12 ARG 11 11.353 2.811 -6.897 88 1HH2 ARG 11 HH21 ARG 11 10.355 4.248 -9.909 89 2HH2 ARG 11 HH22 ARG 11 11.697 3.697 -8.969 90 H GLY 12 HN GLY 12 2.062 2.602 -10.038 91 1HA GLY 12 HA2 GLY 12 1.227 1.515 -11.988 92 2HA GLY 12 HA1 GLY 12 2.878 1.064 -12.404 93 H VAL 13 HN VAL 13 3.331 -1.030 -12.157 94 HA VAL 13 HA VAL 13 1.532 -2.751 -10.671 95 HB VAL 13 HB VAL 13 4.064 -3.499 -12.142 96 1HG1 VAL 13 HG11 VAL 13 1.713 -5.144 -11.212 97 2HG1 VAL 13 HG12 VAL 13 3.374 -5.232 -10.621 98 3HG1 VAL 13 HG13 VAL 13 2.996 -5.731 -12.269 99 1HG2 VAL 13 HG21 VAL 13 1.223 -3.318 -13.122 100 2HG2 VAL 13 HG22 VAL 13 2.510 -4.168 -13.981 101 3HG2 VAL 13 HG23 VAL 13 2.624 -2.428 -13.714 102 H CYS 14 HN CYS 14 2.131 -4.125 -8.918 103 HA CYS 14 HA CYS 14 4.520 -3.182 -7.438 104 1HB CYS 14 HB2 CYS 14 2.254 -2.789 -6.384 105 2HB CYS 14 HB1 CYS 14 2.095 -4.539 -6.244 106 H PHE 15 HN PHE 15 6.146 -4.590 -7.189 107 HA PHE 15 HA PHE 15 5.562 -7.448 -7.565 108 1HB PHE 15 HB2 PHE 15 8.159 -5.966 -8.026 109 2HB PHE 15 HB1 PHE 15 7.942 -7.705 -8.209 110 HD1 PHE 15 HD1 PHE 15 6.299 -4.560 -9.402 111 HD2 PHE 15 HD2 PHE 15 7.692 -8.470 -10.340 112 HE1 PHE 15 HE1 PHE 15 5.624 -4.235 -11.742 113 HE2 PHE 15 HE2 PHE 15 7.019 -8.150 -12.684 114 HZ PHE 15 HZ PHE 15 5.984 -6.030 -13.389 115 H THR 16 HN THR 16 8.011 -5.456 -5.887 116 HA THR 16 HA THR 16 8.279 -7.525 -3.848 117 HB THR 16 HB THR 16 10.210 -6.269 -3.060 118 HG1 THR 16 HG1 THR 16 9.335 -4.313 -4.911 119 1HG2 THR 16 HG21 THR 16 11.568 -6.094 -5.163 120 2HG2 THR 16 HG22 THR 16 10.112 -6.551 -6.045 121 3HG2 THR 16 HG23 THR 16 10.811 -7.658 -4.864 122 H ASN 17 HN ASN 17 7.932 -7.211 -1.641 123 HA ASN 17 HA ASN 17 5.719 -5.740 -0.864 124 1HB ASN 17 HB2 ASN 17 8.018 -6.669 0.878 125 2HB ASN 17 HB1 ASN 17 6.412 -6.221 1.444 126 1HD2 ASN 17 HD21 ASN 17 8.302 -8.771 0.816 127 2HD2 ASN 17 HD22 ASN 17 7.104 -9.951 0.425 128 H ALA 18 HN ALA 18 9.139 -4.854 -0.727 129 HA ALA 18 HA ALA 18 9.012 -2.511 0.769 130 1HB ALA 18 HB1 ALA 18 11.180 -3.077 0.371 131 2HB ALA 18 HB2 ALA 18 10.990 -1.884 -0.915 132 3HB ALA 18 HB3 ALA 18 10.857 -3.605 -1.281 133 H SER 19 HN SER 19 8.226 -3.088 -2.612 134 HA SER 19 HA SER 19 8.167 -0.493 -3.588 135 1HB SER 19 HB2 SER 19 6.340 -2.795 -4.332 136 2HB SER 19 HB1 SER 19 6.631 -1.353 -5.308 137 HG SER 19 HG SER 19 8.992 -2.438 -4.655 138 H CYS 20 HN CYS 20 5.577 -2.260 -1.857 139 HA CYS 20 HA CYS 20 3.832 0.059 -1.989 140 1HB CYS 20 HB2 CYS 20 3.512 -2.663 -0.763 141 2HB CYS 20 HB1 CYS 20 2.339 -1.387 -0.519 142 H ASP 21 HN ASP 21 5.758 -1.642 0.475 143 HA ASP 21 HA ASP 21 4.863 -0.375 2.762 144 1HB ASP 21 HB2 ASP 21 6.568 -2.195 2.722 145 2HB ASP 21 HB1 ASP 21 7.758 -1.032 2.152 146 H ASP 22 HN ASP 22 7.834 0.671 1.051 147 HA ASP 22 HA ASP 22 8.208 3.147 2.207 148 1HB ASP 22 HB2 ASP 22 9.809 2.223 0.619 149 2HB ASP 22 HB1 ASP 22 8.632 2.325 -0.683 150 H HIS 23 HN HIS 23 6.501 2.487 -0.791 151 HA HIS 23 HA HIS 23 5.406 4.899 -1.422 152 1HB HIS 23 HB2 HIS 23 5.182 2.957 -2.815 153 2HB HIS 23 HB1 HIS 23 4.283 2.102 -1.589 154 HD1 HIS 23 HD1 HIS 23 3.537 5.575 -2.889 155 HD2 HIS 23 HD2 HIS 23 2.003 1.750 -2.959 156 HE1 HIS 23 HE1 HIS 23 1.222 5.804 -3.859 157 HE2 HIS 23 HE2 HIS 23 0.244 3.482 -3.733 158 H CYS 24 HN CYS 24 3.884 2.448 0.654 159 HA CYS 24 HA CYS 24 1.686 3.979 1.483 160 1HB CYS 24 HB2 CYS 24 3.188 1.726 2.798 161 2HB CYS 24 HB1 CYS 24 1.776 2.460 3.550 162 H LYS 25 HN LYS 25 4.749 3.442 3.261 163 HA LYS 25 HA LYS 25 4.294 5.168 5.378 164 1HB LYS 25 HB2 LYS 25 6.885 4.429 4.023 165 2HB LYS 25 HB1 LYS 25 6.808 5.342 5.523 166 1HG LYS 25 HG2 LYS 25 5.656 3.460 6.599 167 2HG LYS 25 HG1 LYS 25 5.764 2.547 5.091 168 1HD LYS 25 HD2 LYS 25 8.176 2.556 5.201 169 2HD LYS 25 HD1 LYS 25 8.145 3.616 6.612 170 1HE LYS 25 HE2 LYS 25 7.140 1.901 7.954 171 2HE LYS 25 HE1 LYS 25 6.937 0.853 6.556 172 1HZ LYS 25 HZ1 LYS 25 9.378 0.781 6.348 173 2HZ LYS 25 HZ2 LYS 25 8.838 0.145 7.818 174 3HZ LYS 25 HZ3 LYS 25 9.521 1.691 7.769 175 H ASN 26 HN ASN 26 5.715 5.961 2.219 176 HA ASN 26 HA ASN 26 6.078 8.726 2.966 177 1HB ASN 26 HB2 ASN 26 6.641 7.141 0.483 178 2HB ASN 26 HB1 ASN 26 6.808 8.880 0.497 179 1HD2 ASN 26 HD21 ASN 26 8.518 6.305 0.561 180 2HD2 ASN 26 HD22 ASN 26 9.811 6.794 1.593 181 H LYS 27 HN LYS 27 3.700 6.945 1.019 182 HA LYS 27 HA LYS 27 2.510 9.433 0.079 183 1HB LYS 27 HB2 LYS 27 1.705 6.550 -0.302 184 2HB LYS 27 HB1 LYS 27 0.788 7.902 -0.948 185 1HG LYS 27 HG2 LYS 27 3.649 7.253 -1.613 186 2HG LYS 27 HG1 LYS 27 2.245 6.875 -2.615 187 1HD LYS 27 HD2 LYS 27 1.740 9.305 -2.731 188 2HD LYS 27 HD1 LYS 27 3.228 9.624 -1.835 189 1HE LYS 27 HE2 LYS 27 4.519 8.544 -3.630 190 2HE LYS 27 HE1 LYS 27 3.025 8.266 -4.525 191 1HZ LYS 27 HZ1 LYS 27 4.291 10.872 -3.885 192 2HZ LYS 27 HZ2 LYS 27 2.700 10.747 -4.450 193 3HZ LYS 27 HZ3 LYS 27 3.984 10.214 -5.417 194 H ALA 28 HN ALA 28 1.321 6.679 2.030 195 HA ALA 28 HA ALA 28 -0.504 8.561 3.363 196 1HB ALA 28 HB1 ALA 28 -1.466 5.812 3.319 197 2HB ALA 28 HB2 ALA 28 -1.309 6.515 1.709 198 3HB ALA 28 HB3 ALA 28 -2.303 7.315 2.926 199 H HIS 29 HN HIS 29 1.038 8.811 4.923 200 HA HIS 29 HA HIS 29 2.597 7.406 6.459 201 1HB HIS 29 HB2 HIS 29 2.082 9.785 6.783 202 2HB HIS 29 HB1 HIS 29 0.564 9.359 7.558 203 HD1 HIS 29 HD1 HIS 29 1.233 7.464 9.688 204 HD2 HIS 29 HD2 HIS 29 3.775 10.578 8.664 205 HE1 HIS 29 HE1 HIS 29 2.644 7.882 11.740 206 HE2 HIS 29 HE2 HIS 29 4.077 9.871 11.136 207 H LEU 30 HN LEU 30 1.638 5.267 6.215 208 HA LEU 30 HA LEU 30 -0.058 4.550 8.522 209 1HB LEU 30 HB2 LEU 30 -0.027 3.561 5.719 210 2HB LEU 30 HB1 LEU 30 -0.357 2.386 6.979 211 HG LEU 30 HG LEU 30 -2.305 3.630 7.699 212 1HD1 LEU 30 HD11 LEU 30 -3.025 5.657 6.802 213 2HD1 LEU 30 HD12 LEU 30 -1.909 5.561 5.443 214 3HD1 LEU 30 HD13 LEU 30 -1.300 5.890 7.062 215 1HD2 LEU 30 HD21 LEU 30 -2.666 3.630 4.760 216 2HD2 LEU 30 HD22 LEU 30 -3.659 2.909 6.027 217 3HD2 LEU 30 HD23 LEU 30 -2.165 2.121 5.525 218 H ILE 31 HN ILE 31 0.288 1.943 8.823 219 HA ILE 31 HA ILE 31 2.960 1.752 9.823 220 HB ILE 31 HB ILE 31 2.259 -0.417 10.726 221 1HG1 ILE 31 HG12 ILE 31 -0.395 0.244 9.446 222 2HG1 ILE 31 HG11 ILE 31 0.695 -1.058 8.978 223 1HG2 ILE 31 HG21 ILE 31 1.959 1.346 12.205 224 2HG2 ILE 31 HG22 ILE 31 0.377 0.568 12.177 225 3HG2 ILE 31 HG23 ILE 31 0.649 2.046 11.253 226 1HD1 ILE 31 HD11 ILE 31 -0.744 -0.805 11.606 227 2HD1 ILE 31 HD12 ILE 31 0.375 -2.097 11.170 228 3HD1 ILE 31 HD13 ILE 31 -1.143 -1.913 10.293 229 H SER 32 HN SER 32 1.114 -0.059 7.357 230 HA SER 32 HA SER 32 3.537 -0.608 5.922 231 1HB SER 32 HB2 SER 32 3.440 -3.072 6.106 232 2HB SER 32 HB1 SER 32 3.753 -2.301 7.660 233 HG SER 32 HG SER 32 1.313 -3.419 6.731 234 H GLY 33 HN GLY 33 3.180 -2.067 4.017 235 1HA GLY 33 HA2 GLY 33 0.444 -2.391 3.078 236 2HA GLY 33 HA1 GLY 33 1.387 -1.189 2.207 237 H THR 34 HN THR 34 0.302 -3.716 1.156 238 HA THR 34 HA THR 34 2.858 -4.921 0.318 239 HB THR 34 HB THR 34 1.900 -6.480 1.869 240 HG1 THR 34 HG1 THR 34 1.117 -8.023 -0.124 241 1HG2 THR 34 HG21 THR 34 -0.623 -6.168 0.281 242 2HG2 THR 34 HG22 THR 34 -0.373 -5.968 2.017 243 3HG2 THR 34 HG23 THR 34 -0.310 -7.575 1.292 244 H CYS 35 HN CYS 35 2.498 -6.438 -1.636 245 HA CYS 35 HA CYS 35 1.328 -4.821 -3.732 246 1HB CYS 35 HB2 CYS 35 2.791 -7.464 -3.851 247 2HB CYS 35 HB1 CYS 35 2.256 -6.560 -5.264 248 H HIS 36 HN HIS 36 -0.682 -5.022 -4.447 249 HA HIS 36 HA HIS 36 -2.036 -7.618 -4.122 250 1HB HIS 36 HB2 HIS 36 -3.142 -4.807 -4.199 251 2HB HIS 36 HB1 HIS 36 -4.160 -6.237 -4.351 252 HD1 HIS 36 HD1 HIS 36 -3.917 -7.979 -2.258 253 HD2 HIS 36 HD2 HIS 36 -2.662 -4.075 -1.626 254 HE1 HIS 36 HE1 HIS 36 -3.767 -7.721 0.241 255 HE2 HIS 36 HE2 HIS 36 -3.114 -5.316 0.603 256 H ASN 37 HN ASN 37 -4.144 -6.758 -6.043 257 HA ASN 37 HA ASN 37 -3.039 -7.876 -8.359 258 1HB ASN 37 HB2 ASN 37 -5.580 -6.252 -8.080 259 2HB ASN 37 HB1 ASN 37 -5.155 -7.250 -9.471 260 1HD2 ASN 37 HD21 ASN 37 -7.069 -7.203 -6.898 261 2HD2 ASN 37 HD22 ASN 37 -7.151 -8.887 -6.531 262 H TRP 38 HN TRP 38 -1.120 -6.540 -8.556 263 HA TRP 38 HA TRP 38 0.154 -4.961 -9.598 264 1HB TRP 38 HB2 TRP 38 -2.373 -4.746 -11.216 265 2HB TRP 38 HB1 TRP 38 -0.978 -3.736 -11.562 266 HD1 TRP 38 HD1 TRP 38 0.159 -4.636 -13.623 267 HE1 TRP 38 HE1 TRP 38 0.811 -6.939 -14.552 268 HE3 TRP 38 HE3 TRP 38 -1.886 -7.618 -9.990 269 HZ2 TRP 38 HZ2 TRP 38 0.506 -9.640 -13.859 270 HZ3 TRP 38 HZ3 TRP 38 -1.655 -10.049 -10.209 271 HH2 TRP 38 HH2 TRP 38 -0.487 -11.042 -12.106 272 H LYS 39 HN LYS 39 -1.467 -4.255 -7.233 273 HA LYS 39 HA LYS 39 -1.318 -1.344 -7.529 274 1HB LYS 39 HB2 LYS 39 -3.666 -2.868 -6.404 275 2HB LYS 39 HB1 LYS 39 -3.464 -1.129 -6.276 276 1HG LYS 39 HG2 LYS 39 -3.551 -0.938 -8.706 277 2HG LYS 39 HG1 LYS 39 -3.730 -2.691 -8.836 278 1HD LYS 39 HD2 LYS 39 -5.820 -2.581 -7.584 279 2HD LYS 39 HD1 LYS 39 -5.637 -0.836 -7.411 280 1HE LYS 39 HE2 LYS 39 -5.741 -0.604 -9.859 281 2HE LYS 39 HE1 LYS 39 -5.981 -2.348 -9.998 282 1HZ LYS 39 HZ1 LYS 39 -7.802 -0.557 -8.472 283 2HZ LYS 39 HZ2 LYS 39 -8.060 -2.183 -8.865 284 3HZ LYS 39 HZ3 LYS 39 -8.066 -1.009 -10.082 285 H CYS 40 HN CYS 40 -1.656 -0.276 -5.268 286 HA CYS 40 HA CYS 40 -0.296 -1.900 -3.229 287 1HB CYS 40 HB2 CYS 40 0.245 0.887 -4.139 288 2HB CYS 40 HB1 CYS 40 0.489 0.490 -2.443 289 H PHE 41 HN PHE 41 -1.540 -2.286 -1.574 290 HA PHE 41 HA PHE 41 -3.531 -0.268 -0.774 291 1HB PHE 41 HB2 PHE 41 -3.538 -3.255 -0.287 292 2HB PHE 41 HB1 PHE 41 -4.736 -2.130 0.345 293 HD1 PHE 41 HD1 PHE 41 -3.193 -2.650 -3.037 294 HD2 PHE 41 HD2 PHE 41 -6.735 -2.388 -0.695 295 HE1 PHE 41 HE1 PHE 41 -4.554 -2.940 -5.062 296 HE2 PHE 41 HE2 PHE 41 -8.100 -2.677 -2.720 297 HZ PHE 41 HZ PHE 41 -7.008 -2.955 -4.908 298 H CYS 42 HN CYS 42 -3.329 0.646 1.174 299 HA CYS 42 HA CYS 42 -1.183 -0.364 2.917 300 1HB CYS 42 HB2 CYS 42 -2.444 2.388 2.831 301 2HB CYS 42 HB1 CYS 42 -1.017 1.909 3.737 302 H THR 43 HN THR 43 -1.545 -0.590 5.151 303 HA THR 43 HA THR 43 -4.377 -0.778 5.893 304 HB THR 43 HB THR 43 -3.514 -2.309 7.686 305 HG1 THR 43 HG1 THR 43 -1.453 -2.495 7.936 306 1HG2 THR 43 HG21 THR 43 -4.297 -3.708 6.120 307 2HG2 THR 43 HG22 THR 43 -2.584 -4.039 5.860 308 3HG2 THR 43 HG23 THR 43 -3.430 -2.898 4.815 309 H GLN 44 HN GLN 44 -5.196 0.265 7.594 310 HA GLN 44 HA GLN 44 -3.361 1.791 9.321 311 1HB GLN 44 HB2 GLN 44 -4.369 3.272 7.617 312 2HB GLN 44 HB1 GLN 44 -5.969 2.800 8.166 313 1HG GLN 44 HG2 GLN 44 -5.561 3.808 10.329 314 2HG GLN 44 HG1 GLN 44 -3.913 4.214 9.853 315 1HE2 GLN 44 HE21 GLN 44 -3.629 6.231 9.209 316 2HE2 GLN 44 HE22 GLN 44 -4.839 7.257 8.528 317 H ASN 45 HN ASN 45 -4.034 2.129 11.439 318 HA ASN 45 HA ASN 45 -5.539 0.053 12.616 319 1HB ASN 45 HB2 ASN 45 -4.634 2.688 13.808 320 2HB ASN 45 HB1 ASN 45 -5.185 1.285 14.718 321 1HD2 ASN 45 HD21 ASN 45 -2.523 2.908 13.869 322 2HD2 ASN 45 HD22 ASN 45 -1.365 1.629 13.890 323 H CYS 46 HN CYS 46 -7.686 -0.148 12.785 324 HA CYS 46 HA CYS 46 -9.345 2.165 13.350 325 1HB CYS 46 HB2 CYS 46 -10.917 1.735 11.509 326 2HB CYS 46 HB1 CYS 46 -9.315 2.154 10.900 Start of MODEL 17 1 1H LYS 1 HT1 LYS 1 -10.059 -4.824 15.009 2 2H LYS 1 HT2 LYS 1 -8.410 -4.462 15.093 3 3H LYS 1 HT3 LYS 1 -8.934 -6.061 15.268 4 HA LYS 1 HA LYS 1 -8.367 -6.233 13.115 5 1HB LYS 1 HB2 LYS 1 -11.027 -4.781 12.957 6 2HB LYS 1 HB1 LYS 1 -10.313 -5.692 11.635 7 1HG LYS 1 HG2 LYS 1 -10.453 -7.742 12.936 8 2HG LYS 1 HG1 LYS 1 -11.118 -6.845 14.304 9 1HD LYS 1 HD2 LYS 1 -13.065 -6.225 12.960 10 2HD LYS 1 HD1 LYS 1 -12.393 -7.086 11.575 11 1HE LYS 1 HE2 LYS 1 -12.530 -9.192 12.794 12 2HE LYS 1 HE1 LYS 1 -13.140 -8.346 14.217 13 1HZ LYS 1 HZ1 LYS 1 -15.177 -7.954 13.219 14 2HZ LYS 1 HZ2 LYS 1 -14.803 -9.491 12.619 15 3HZ LYS 1 HZ3 LYS 1 -14.578 -8.126 11.645 16 H THR 2 HN THR 2 -8.589 -4.932 10.795 17 HA THR 2 HA THR 2 -7.729 -2.163 11.148 18 HB THR 2 HB THR 2 -5.751 -2.502 9.681 19 HG1 THR 2 HG1 THR 2 -6.246 -5.260 10.100 20 1HG2 THR 2 HG21 THR 2 -4.318 -2.992 11.341 21 2HG2 THR 2 HG22 THR 2 -5.211 -4.426 11.846 22 3HG2 THR 2 HG23 THR 2 -5.773 -2.826 12.327 23 H CYS 3 HN CYS 3 -7.480 -1.026 9.022 24 HA CYS 3 HA CYS 3 -9.453 -2.085 7.097 25 1HB CYS 3 HB2 CYS 3 -8.722 0.777 7.734 26 2HB CYS 3 HB1 CYS 3 -9.825 0.295 6.450 27 H GLU 4 HN GLU 4 -9.145 -1.489 4.836 28 HA GLU 4 HA GLU 4 -6.290 -1.457 4.129 29 1HB GLU 4 HB2 GLU 4 -8.684 -2.579 2.679 30 2HB GLU 4 HB1 GLU 4 -7.108 -2.395 1.921 31 1HG GLU 4 HG2 GLU 4 -7.662 -4.045 4.378 32 2HG GLU 4 HG1 GLU 4 -7.526 -4.675 2.740 33 H HIS 5 HN HIS 5 -5.466 0.211 3.085 34 HA HIS 5 HA HIS 5 -7.324 2.040 1.700 35 1HB HIS 5 HB2 HIS 5 -4.901 2.791 3.348 36 2HB HIS 5 HB1 HIS 5 -5.864 3.919 2.397 37 HD1 HIS 5 HD1 HIS 5 -6.425 1.435 5.228 38 HD2 HIS 5 HD2 HIS 5 -7.842 5.073 3.819 39 HE1 HIS 5 HE1 HIS 5 -8.150 2.181 6.903 40 HE2 HIS 5 HE2 HIS 5 -9.084 4.320 5.960 41 H LEU 6 HN LEU 6 -6.994 1.692 -0.390 42 HA LEU 6 HA LEU 6 -4.392 1.044 -1.450 43 1HB LEU 6 HB2 LEU 6 -6.130 -0.062 -2.544 44 2HB LEU 6 HB1 LEU 6 -7.126 1.386 -2.643 45 HG LEU 6 HG LEU 6 -5.478 2.292 -4.305 46 1HD1 LEU 6 HD11 LEU 6 -4.327 -0.032 -5.266 47 2HD1 LEU 6 HD12 LEU 6 -4.079 -0.110 -3.523 48 3HD1 LEU 6 HD13 LEU 6 -3.506 1.288 -4.436 49 1HD2 LEU 6 HD21 LEU 6 -6.189 0.020 -5.805 50 2HD2 LEU 6 HD22 LEU 6 -7.019 1.573 -5.719 51 3HD2 LEU 6 HD23 LEU 6 -7.466 0.269 -4.617 52 H ALA 7 HN ALA 7 -3.008 2.344 -2.493 53 HA ALA 7 HA ALA 7 -3.552 5.210 -2.423 54 1HB ALA 7 HB1 ALA 7 -1.095 3.538 -2.666 55 2HB ALA 7 HB2 ALA 7 -1.450 4.867 -1.564 56 3HB ALA 7 HB3 ALA 7 -1.060 5.203 -3.252 57 H ASP 8 HN ASP 8 -3.791 6.490 -4.185 58 HA ASP 8 HA ASP 8 -4.257 5.188 -6.740 59 1HB ASP 8 HB2 ASP 8 -4.681 8.048 -5.864 60 2HB ASP 8 HB1 ASP 8 -5.185 7.375 -7.410 61 H THR 9 HN THR 9 -1.764 7.140 -5.300 62 HA THR 9 HA THR 9 -0.586 7.634 -7.947 63 HB THR 9 HB THR 9 0.896 9.266 -6.791 64 HG1 THR 9 HG1 THR 9 0.876 8.502 -4.708 65 1HG2 THR 9 HG21 THR 9 -2.006 9.842 -6.267 66 2HG2 THR 9 HG22 THR 9 -1.182 10.075 -7.808 67 3HG2 THR 9 HG23 THR 9 -0.698 11.016 -6.397 68 H TYR 10 HN TYR 10 -0.039 5.330 -7.920 69 HA TYR 10 HA TYR 10 2.321 4.724 -6.269 70 1HB TYR 10 HB2 TYR 10 0.426 3.164 -6.035 71 2HB TYR 10 HB1 TYR 10 0.472 2.832 -7.759 72 HD1 TYR 10 HD1 TYR 10 1.142 0.656 -8.091 73 HD2 TYR 10 HD2 TYR 10 3.166 2.992 -5.166 74 HE1 TYR 10 HE1 TYR 10 2.744 -1.174 -7.738 75 HE2 TYR 10 HE2 TYR 10 4.765 1.157 -4.802 76 HH TYR 10 HH TYR 10 4.569 -1.575 -5.221 77 H ARG 11 HN ARG 11 3.649 2.824 -7.783 78 HA ARG 11 HA ARG 11 4.573 4.407 -10.048 79 1HB ARG 11 HB2 ARG 11 6.073 2.136 -8.778 80 2HB ARG 11 HB1 ARG 11 6.713 3.521 -9.647 81 1HG ARG 11 HG2 ARG 11 6.015 4.970 -7.751 82 2HG ARG 11 HG1 ARG 11 5.520 3.519 -6.877 83 1HD ARG 11 HD2 ARG 11 8.312 4.094 -7.880 84 2HD ARG 11 HD1 ARG 11 7.763 4.285 -6.214 85 HE ARG 11 HE ARG 11 7.213 1.666 -6.906 86 1HH1 ARG 11 HH11 ARG 11 10.047 3.659 -6.679 87 2HH1 ARG 11 HH12 ARG 11 11.097 2.347 -6.284 88 1HH2 ARG 11 HH21 ARG 11 8.590 -0.062 -6.387 89 2HH2 ARG 11 HH22 ARG 11 10.268 0.238 -6.105 90 H GLY 12 HN GLY 12 2.288 2.606 -10.384 91 1HA GLY 12 HA2 GLY 12 1.732 1.391 -12.345 92 2HA GLY 12 HA1 GLY 12 3.427 0.944 -12.515 93 H VAL 13 HN VAL 13 3.582 -1.213 -12.408 94 HA VAL 13 HA VAL 13 1.706 -2.836 -10.951 95 HB VAL 13 HB VAL 13 4.344 -3.694 -12.158 96 1HG1 VAL 13 HG11 VAL 13 1.865 -5.244 -11.423 97 2HG1 VAL 13 HG12 VAL 13 3.459 -5.366 -10.676 98 3HG1 VAL 13 HG13 VAL 13 3.221 -5.898 -12.340 99 1HG2 VAL 13 HG21 VAL 13 1.640 -3.360 -13.420 100 2HG2 VAL 13 HG22 VAL 13 2.873 -4.428 -14.094 101 3HG2 VAL 13 HG23 VAL 13 3.188 -2.698 -13.944 102 H CYS 14 HN CYS 14 2.138 -4.141 -9.087 103 HA CYS 14 HA CYS 14 4.347 -3.096 -7.431 104 1HB CYS 14 HB2 CYS 14 1.950 -2.975 -6.579 105 2HB CYS 14 HB1 CYS 14 1.999 -4.734 -6.457 106 H PHE 15 HN PHE 15 6.107 -4.331 -7.274 107 HA PHE 15 HA PHE 15 5.867 -7.193 -7.846 108 1HB PHE 15 HB2 PHE 15 8.319 -5.422 -7.812 109 2HB PHE 15 HB1 PHE 15 8.317 -7.142 -8.200 110 HD1 PHE 15 HD1 PHE 15 6.460 -4.064 -9.267 111 HD2 PHE 15 HD2 PHE 15 8.425 -7.661 -10.416 112 HE1 PHE 15 HE1 PHE 15 6.030 -3.539 -11.628 113 HE2 PHE 15 HE2 PHE 15 7.999 -7.139 -12.783 114 HZ PHE 15 HZ PHE 15 6.801 -5.077 -13.392 115 H THR 16 HN THR 16 8.032 -5.291 -5.718 116 HA THR 16 HA THR 16 7.933 -7.511 -3.798 117 HB THR 16 HB THR 16 9.973 -6.502 -2.835 118 HG1 THR 16 HG1 THR 16 10.827 -4.673 -3.642 119 1HG2 THR 16 HG21 THR 16 11.327 -6.518 -5.134 120 2HG2 THR 16 HG22 THR 16 9.845 -7.311 -5.668 121 3HG2 THR 16 HG23 THR 16 10.773 -7.986 -4.329 122 H ASN 17 HN ASN 17 7.391 -7.223 -1.619 123 HA ASN 17 HA ASN 17 5.403 -5.476 -0.922 124 1HB ASN 17 HB2 ASN 17 7.528 -6.614 0.915 125 2HB ASN 17 HB1 ASN 17 5.985 -5.944 1.433 126 1HD2 ASN 17 HD21 ASN 17 4.593 -7.468 1.963 127 2HD2 ASN 17 HD22 ASN 17 4.427 -9.003 1.191 128 H ALA 18 HN ALA 18 8.892 -5.011 -0.374 129 HA ALA 18 HA ALA 18 9.010 -2.654 0.975 130 1HB ALA 18 HB1 ALA 18 10.919 -2.380 -1.086 131 2HB ALA 18 HB2 ALA 18 10.757 -4.107 -0.771 132 3HB ALA 18 HB3 ALA 18 11.166 -3.006 0.544 133 H SER 19 HN SER 19 8.243 -3.073 -2.455 134 HA SER 19 HA SER 19 8.364 -0.447 -3.337 135 1HB SER 19 HB2 SER 19 6.825 -1.094 -5.103 136 2HB SER 19 HB1 SER 19 7.938 -2.427 -4.796 137 HG SER 19 HG SER 19 6.339 -3.539 -3.749 138 H CYS 20 HN CYS 20 5.453 -2.141 -2.101 139 HA CYS 20 HA CYS 20 3.904 0.253 -1.986 140 1HB CYS 20 HB2 CYS 20 3.457 -2.490 -0.829 141 2HB CYS 20 HB1 CYS 20 2.315 -1.173 -0.640 142 H ASP 21 HN ASP 21 5.659 -1.660 0.460 143 HA ASP 21 HA ASP 21 4.717 -0.453 2.755 144 1HB ASP 21 HB2 ASP 21 6.374 -2.367 2.599 145 2HB ASP 21 HB1 ASP 21 7.632 -1.153 2.360 146 H ASP 22 HN ASP 22 7.731 0.549 1.107 147 HA ASP 22 HA ASP 22 8.196 2.943 2.452 148 1HB ASP 22 HB2 ASP 22 9.777 1.898 0.856 149 2HB ASP 22 HB1 ASP 22 8.705 2.314 -0.475 150 H HIS 23 HN HIS 23 6.520 2.402 -0.577 151 HA HIS 23 HA HIS 23 5.586 4.901 -1.224 152 1HB HIS 23 HB2 HIS 23 5.362 2.983 -2.664 153 2HB HIS 23 HB1 HIS 23 4.349 2.162 -1.510 154 HD1 HIS 23 HD1 HIS 23 3.872 5.669 -2.902 155 HD2 HIS 23 HD2 HIS 23 2.102 1.932 -2.948 156 HE1 HIS 23 HE1 HIS 23 1.642 5.981 -4.029 157 HE2 HIS 23 HE2 HIS 23 0.528 3.732 -3.901 158 H CYS 24 HN CYS 24 3.876 2.470 0.735 159 HA CYS 24 HA CYS 24 1.669 4.009 1.451 160 1HB CYS 24 HB2 CYS 24 3.118 1.830 2.949 161 2HB CYS 24 HB1 CYS 24 1.628 2.558 3.538 162 H LYS 25 HN LYS 25 4.623 3.552 3.427 163 HA LYS 25 HA LYS 25 4.002 5.350 5.444 164 1HB LYS 25 HB2 LYS 25 6.694 4.576 4.321 165 2HB LYS 25 HB1 LYS 25 6.489 5.511 5.797 166 1HG LYS 25 HG2 LYS 25 5.264 3.658 6.809 167 2HG LYS 25 HG1 LYS 25 5.443 2.727 5.321 168 1HD LYS 25 HD2 LYS 25 7.845 2.671 5.589 169 2HD LYS 25 HD1 LYS 25 7.749 3.746 6.985 170 1HE LYS 25 HE2 LYS 25 8.072 1.386 7.624 171 2HE LYS 25 HE1 LYS 25 6.571 2.065 8.255 172 1HZ LYS 25 HZ1 LYS 25 5.388 0.516 7.191 173 2HZ LYS 25 HZ2 LYS 25 6.852 -0.247 6.765 174 3HZ LYS 25 HZ3 LYS 25 6.150 0.864 5.709 175 H ASN 26 HN ASN 26 5.616 6.008 2.360 176 HA ASN 26 HA ASN 26 6.024 8.778 3.014 177 1HB ASN 26 HB2 ASN 26 6.492 7.176 0.505 178 2HB ASN 26 HB1 ASN 26 6.883 8.873 0.644 179 1HD2 ASN 26 HD21 ASN 26 8.176 6.041 0.658 180 2HD2 ASN 26 HD22 ASN 26 9.512 6.306 1.712 181 H LYS 27 HN LYS 27 3.685 7.009 1.009 182 HA LYS 27 HA LYS 27 2.542 9.511 0.058 183 1HB LYS 27 HB2 LYS 27 1.791 6.633 -0.437 184 2HB LYS 27 HB1 LYS 27 0.918 7.996 -1.125 185 1HG LYS 27 HG2 LYS 27 3.827 7.367 -1.579 186 2HG LYS 27 HG1 LYS 27 2.510 7.023 -2.703 187 1HD LYS 27 HD2 LYS 27 2.017 9.463 -2.777 188 2HD LYS 27 HD1 LYS 27 3.436 9.743 -1.765 189 1HE LYS 27 HE2 LYS 27 4.829 8.646 -3.511 190 2HE LYS 27 HE1 LYS 27 3.393 8.528 -4.530 191 1HZ LYS 27 HZ1 LYS 27 3.214 11.003 -4.341 192 2HZ LYS 27 HZ2 LYS 27 4.579 10.467 -5.188 193 3HZ LYS 27 HZ3 LYS 27 4.733 11.007 -3.592 194 H ALA 28 HN ALA 28 1.237 6.715 1.875 195 HA ALA 28 HA ALA 28 -0.674 8.573 3.120 196 1HB ALA 28 HB1 ALA 28 -1.800 6.016 3.284 197 2HB ALA 28 HB2 ALA 28 -1.195 6.163 1.634 198 3HB ALA 28 HB3 ALA 28 -2.329 7.357 2.266 199 H HIS 29 HN HIS 29 0.809 8.890 4.732 200 HA HIS 29 HA HIS 29 2.364 7.567 6.323 201 1HB HIS 29 HB2 HIS 29 1.696 9.920 6.637 202 2HB HIS 29 HB1 HIS 29 0.201 9.382 7.399 203 HD1 HIS 29 HD1 HIS 29 3.929 8.795 7.978 204 HD2 HIS 29 HD2 HIS 29 0.403 9.450 10.075 205 HE1 HIS 29 HE1 HIS 29 4.595 8.876 10.405 206 HE2 HIS 29 HE2 HIS 29 2.464 9.424 11.636 207 H LEU 30 HN LEU 30 1.563 5.394 6.077 208 HA LEU 30 HA LEU 30 -0.130 4.564 8.345 209 1HB LEU 30 HB2 LEU 30 -0.074 3.648 5.523 210 2HB LEU 30 HB1 LEU 30 -0.303 2.411 6.746 211 HG LEU 30 HG LEU 30 -2.316 3.503 7.541 212 1HD1 LEU 30 HD11 LEU 30 -3.208 5.487 6.672 213 2HD1 LEU 30 HD12 LEU 30 -2.059 5.523 5.336 214 3HD1 LEU 30 HD13 LEU 30 -1.511 5.842 6.980 215 1HD2 LEU 30 HD21 LEU 30 -2.740 3.548 4.613 216 2HD2 LEU 30 HD22 LEU 30 -3.646 2.724 5.882 217 3HD2 LEU 30 HD23 LEU 30 -2.111 2.062 5.326 218 H ILE 31 HN ILE 31 0.352 1.947 8.551 219 HA ILE 31 HA ILE 31 3.084 1.900 9.443 220 HB ILE 31 HB ILE 31 2.498 -0.233 10.515 221 1HG1 ILE 31 HG12 ILE 31 -0.245 0.315 9.389 222 2HG1 ILE 31 HG11 ILE 31 0.814 -1.037 8.995 223 1HG2 ILE 31 HG21 ILE 31 1.005 0.726 12.188 224 2HG2 ILE 31 HG22 ILE 31 0.624 2.048 11.085 225 3HG2 ILE 31 HG23 ILE 31 2.263 1.866 11.711 226 1HD1 ILE 31 HD11 ILE 31 -0.638 -1.994 10.492 227 2HD1 ILE 31 HD12 ILE 31 -0.777 -0.530 11.458 228 3HD1 ILE 31 HD13 ILE 31 0.683 -1.515 11.551 229 H SER 32 HN SER 32 1.108 -0.190 7.285 230 HA SER 32 HA SER 32 3.499 -0.700 5.717 231 1HB SER 32 HB2 SER 32 2.070 -2.968 7.118 232 2HB SER 32 HB1 SER 32 3.333 -3.157 5.903 233 HG SER 32 HG SER 32 3.522 -2.195 8.536 234 H GLY 33 HN GLY 33 3.111 -2.045 3.789 235 1HA GLY 33 HA2 GLY 33 0.321 -2.262 2.903 236 2HA GLY 33 HA1 GLY 33 1.382 -1.219 1.967 237 H THR 34 HN THR 34 0.002 -3.718 1.159 238 HA THR 34 HA THR 34 2.400 -5.280 0.414 239 HB THR 34 HB THR 34 -0.354 -6.317 1.083 240 HG1 THR 34 HG1 THR 34 0.744 -6.116 2.937 241 1HG2 THR 34 HG21 THR 34 0.368 -7.724 -0.670 242 2HG2 THR 34 HG22 THR 34 0.726 -8.573 0.834 243 3HG2 THR 34 HG23 THR 34 2.021 -7.767 -0.049 244 H CYS 35 HN CYS 35 2.388 -6.362 -1.608 245 HA CYS 35 HA CYS 35 1.216 -4.852 -3.722 246 1HB CYS 35 HB2 CYS 35 2.724 -7.467 -3.708 247 2HB CYS 35 HB1 CYS 35 2.120 -6.726 -5.188 248 H HIS 36 HN HIS 36 -0.720 -5.042 -4.575 249 HA HIS 36 HA HIS 36 -2.136 -7.611 -4.316 250 1HB HIS 36 HB2 HIS 36 -3.196 -4.784 -4.181 251 2HB HIS 36 HB1 HIS 36 -4.245 -6.176 -4.426 252 HD1 HIS 36 HD1 HIS 36 -4.045 -8.058 -2.461 253 HD2 HIS 36 HD2 HIS 36 -2.676 -4.245 -1.580 254 HE1 HIS 36 HE1 HIS 36 -3.912 -7.960 0.049 255 HE2 HIS 36 HE2 HIS 36 -3.341 -5.558 0.554 256 H ASN 37 HN ASN 37 -4.261 -6.566 -6.119 257 HA ASN 37 HA ASN 37 -3.294 -7.556 -8.538 258 1HB ASN 37 HB2 ASN 37 -5.687 -5.766 -8.069 259 2HB ASN 37 HB1 ASN 37 -5.384 -6.703 -9.530 260 1HD2 ASN 37 HD21 ASN 37 -7.175 -6.667 -6.852 261 2HD2 ASN 37 HD22 ASN 37 -7.397 -8.360 -6.605 262 H TRP 38 HN TRP 38 -1.280 -6.317 -8.662 263 HA TRP 38 HA TRP 38 0.079 -4.758 -9.609 264 1HB TRP 38 HB2 TRP 38 -2.407 -4.382 -11.263 265 2HB TRP 38 HB1 TRP 38 -0.958 -3.429 -11.556 266 HD1 TRP 38 HD1 TRP 38 0.205 -4.333 -13.599 267 HE1 TRP 38 HE1 TRP 38 0.768 -6.645 -14.569 268 HE3 TRP 38 HE3 TRP 38 -2.108 -7.291 -10.112 269 HZ2 TRP 38 HZ2 TRP 38 0.295 -9.345 -13.956 270 HZ3 TRP 38 HZ3 TRP 38 -2.000 -9.727 -10.385 271 HH2 TRP 38 HH2 TRP 38 -0.825 -10.734 -12.270 272 H LYS 39 HN LYS 39 -1.449 -4.003 -7.217 273 HA LYS 39 HA LYS 39 -1.142 -1.106 -7.484 274 1HB LYS 39 HB2 LYS 39 -3.609 -2.440 -6.372 275 2HB LYS 39 HB1 LYS 39 -3.272 -0.722 -6.285 276 1HG LYS 39 HG2 LYS 39 -3.397 -0.534 -8.683 277 2HG LYS 39 HG1 LYS 39 -3.604 -2.282 -8.838 278 1HD LYS 39 HD2 LYS 39 -5.705 -2.144 -7.579 279 2HD LYS 39 HD1 LYS 39 -5.496 -0.402 -7.415 280 1HE LYS 39 HE2 LYS 39 -5.759 -1.861 -10.041 281 2HE LYS 39 HE1 LYS 39 -7.088 -1.060 -9.202 282 1HZ LYS 39 HZ1 LYS 39 -6.094 0.327 -10.949 283 2HZ LYS 39 HZ2 LYS 39 -4.611 0.302 -10.134 284 3HZ LYS 39 HZ3 LYS 39 -5.955 1.042 -9.420 285 H CYS 40 HN CYS 40 -1.663 -0.102 -5.138 286 HA CYS 40 HA CYS 40 -0.254 -1.756 -3.161 287 1HB CYS 40 HB2 CYS 40 0.128 1.127 -3.889 288 2HB CYS 40 HB1 CYS 40 0.487 0.565 -2.260 289 H PHE 41 HN PHE 41 -1.591 -2.317 -1.614 290 HA PHE 41 HA PHE 41 -3.585 -0.357 -0.690 291 1HB PHE 41 HB2 PHE 41 -3.574 -3.366 -0.335 292 2HB PHE 41 HB1 PHE 41 -4.799 -2.272 0.299 293 HD1 PHE 41 HD1 PHE 41 -6.776 -2.483 -0.823 294 HD2 PHE 41 HD2 PHE 41 -3.153 -2.702 -3.044 295 HE1 PHE 41 HE1 PHE 41 -8.068 -2.721 -2.903 296 HE2 PHE 41 HE2 PHE 41 -4.442 -2.941 -5.119 297 HZ PHE 41 HZ PHE 41 -6.899 -2.946 -5.056 298 H CYS 42 HN CYS 42 -3.278 0.511 1.256 299 HA CYS 42 HA CYS 42 -1.141 -0.608 2.925 300 1HB CYS 42 HB2 CYS 42 -2.386 2.147 3.029 301 2HB CYS 42 HB1 CYS 42 -0.899 1.618 3.802 302 H THR 43 HN THR 43 -1.431 -0.755 5.196 303 HA THR 43 HA THR 43 -4.250 -1.107 5.959 304 HB THR 43 HB THR 43 -2.914 -3.131 6.134 305 HG1 THR 43 HG1 THR 43 -4.019 -3.538 7.855 306 1HG2 THR 43 HG21 THR 43 -0.766 -3.016 6.653 307 2HG2 THR 43 HG22 THR 43 -1.269 -2.776 8.326 308 3HG2 THR 43 HG23 THR 43 -0.934 -1.383 7.301 309 H GLN 44 HN GLN 44 -5.154 0.047 7.482 310 HA GLN 44 HA GLN 44 -3.464 1.762 9.176 311 1HB GLN 44 HB2 GLN 44 -4.419 3.146 7.454 312 2HB GLN 44 HB1 GLN 44 -6.020 2.475 7.728 313 1HG GLN 44 HG2 GLN 44 -6.090 3.509 9.932 314 2HG GLN 44 HG1 GLN 44 -4.468 4.150 9.695 315 1HE2 GLN 44 HE21 GLN 44 -5.882 4.341 6.732 316 2HE2 GLN 44 HE22 GLN 44 -6.524 5.935 6.833 317 H ASN 45 HN ASN 45 -4.055 2.008 11.275 318 HA ASN 45 HA ASN 45 -5.626 0.006 12.487 319 1HB ASN 45 HB2 ASN 45 -4.672 2.643 13.641 320 2HB ASN 45 HB1 ASN 45 -5.205 1.240 14.564 321 1HD2 ASN 45 HD21 ASN 45 -3.590 0.090 15.372 322 2HD2 ASN 45 HD22 ASN 45 -2.025 -0.088 14.671 323 H CYS 46 HN CYS 46 -7.786 -0.115 12.701 324 HA CYS 46 HA CYS 46 -9.362 2.314 13.046 325 1HB CYS 46 HB2 CYS 46 -10.938 1.709 11.255 326 2HB CYS 46 HB1 CYS 46 -9.317 2.010 10.622 Start of MODEL 18 1 1H LYS 1 HT1 LYS 1 -10.131 -5.469 15.233 2 2H LYS 1 HT2 LYS 1 -9.650 -3.854 15.065 3 3H LYS 1 HT3 LYS 1 -8.491 -5.087 15.088 4 HA LYS 1 HA LYS 1 -9.249 -5.956 13.009 5 1HB LYS 1 HB2 LYS 1 -11.338 -3.771 13.232 6 2HB LYS 1 HB1 LYS 1 -11.079 -4.751 11.796 7 1HG LYS 1 HG2 LYS 1 -11.689 -6.762 13.040 8 2HG LYS 1 HG1 LYS 1 -11.927 -5.794 14.498 9 1HD LYS 1 HD2 LYS 1 -13.698 -4.531 13.365 10 2HD LYS 1 HD1 LYS 1 -13.464 -5.504 11.913 11 1HE LYS 1 HE2 LYS 1 -14.334 -6.544 14.613 12 2HE LYS 1 HE1 LYS 1 -15.396 -6.250 13.236 13 1HZ LYS 1 HZ1 LYS 1 -14.932 -8.534 13.203 14 2HZ LYS 1 HZ2 LYS 1 -13.283 -8.314 13.502 15 3HZ LYS 1 HZ3 LYS 1 -13.935 -7.890 11.999 16 H THR 2 HN THR 2 -9.103 -4.701 10.782 17 HA THR 2 HA THR 2 -7.586 -2.214 11.018 18 HB THR 2 HB THR 2 -5.769 -3.125 9.561 19 HG1 THR 2 HG1 THR 2 -5.592 -5.372 9.394 20 1HG2 THR 2 HG21 THR 2 -5.388 -2.971 11.964 21 2HG2 THR 2 HG22 THR 2 -4.565 -4.357 11.251 22 3HG2 THR 2 HG23 THR 2 -6.052 -4.592 12.167 23 H CYS 3 HN CYS 3 -7.409 -1.027 9.078 24 HA CYS 3 HA CYS 3 -9.291 -1.908 6.978 25 1HB CYS 3 HB2 CYS 3 -8.565 0.890 7.860 26 2HB CYS 3 HB1 CYS 3 -9.616 0.513 6.499 27 H GLU 4 HN GLU 4 -8.749 -1.732 4.848 28 HA GLU 4 HA GLU 4 -5.924 -1.156 4.245 29 1HB GLU 4 HB2 GLU 4 -7.926 -2.966 2.904 30 2HB GLU 4 HB1 GLU 4 -6.440 -2.476 2.108 31 1HG GLU 4 HG2 GLU 4 -5.170 -3.500 3.989 32 2HG GLU 4 HG1 GLU 4 -6.703 -4.088 4.636 33 H HIS 5 HN HIS 5 -5.397 0.392 2.821 34 HA HIS 5 HA HIS 5 -7.538 1.599 1.196 35 1HB HIS 5 HB2 HIS 5 -5.485 3.111 2.827 36 2HB HIS 5 HB1 HIS 5 -6.566 3.847 1.650 37 HD1 HIS 5 HD1 HIS 5 -9.248 3.026 2.261 38 HD2 HIS 5 HD2 HIS 5 -6.457 3.474 5.301 39 HE1 HIS 5 HE1 HIS 5 -10.595 3.343 4.362 40 HE2 HIS 5 HE2 HIS 5 -8.878 3.792 6.154 41 H LEU 6 HN LEU 6 -7.026 1.959 -0.873 42 HA LEU 6 HA LEU 6 -4.349 1.267 -1.789 43 1HB LEU 6 HB2 LEU 6 -6.064 0.143 -2.939 44 2HB LEU 6 HB1 LEU 6 -7.009 1.608 -3.151 45 HG LEU 6 HG LEU 6 -5.990 0.749 -5.244 46 1HD1 LEU 6 HD11 LEU 6 -5.462 2.828 -6.115 47 2HD1 LEU 6 HD12 LEU 6 -4.694 3.372 -4.629 48 3HD1 LEU 6 HD13 LEU 6 -6.450 3.234 -4.712 49 1HD2 LEU 6 HD21 LEU 6 -3.341 1.679 -4.229 50 2HD2 LEU 6 HD22 LEU 6 -3.708 0.656 -5.613 51 3HD2 LEU 6 HD23 LEU 6 -3.870 0.014 -3.977 52 H ALA 7 HN ALA 7 -2.862 2.720 -2.328 53 HA ALA 7 HA ALA 7 -3.578 5.540 -2.415 54 1HB ALA 7 HB1 ALA 7 -1.012 4.037 -2.173 55 2HB ALA 7 HB2 ALA 7 -1.681 5.312 -1.150 56 3HB ALA 7 HB3 ALA 7 -0.980 5.714 -2.723 57 H ASP 8 HN ASP 8 -4.340 6.314 -4.252 58 HA ASP 8 HA ASP 8 -3.962 5.277 -6.827 59 1HB ASP 8 HB2 ASP 8 -4.782 8.048 -5.950 60 2HB ASP 8 HB1 ASP 8 -4.895 7.456 -7.603 61 H THR 9 HN THR 9 -1.651 6.967 -5.006 62 HA THR 9 HA THR 9 -0.366 7.991 -7.446 63 HB THR 9 HB THR 9 1.041 9.381 -5.991 64 HG1 THR 9 HG1 THR 9 -0.251 9.283 -3.688 65 1HG2 THR 9 HG21 THR 9 -0.600 10.816 -6.423 66 2HG2 THR 9 HG22 THR 9 -1.049 10.545 -4.739 67 3HG2 THR 9 HG23 THR 9 -1.863 9.654 -6.025 68 H TYR 10 HN TYR 10 -0.144 5.451 -7.498 69 HA TYR 10 HA TYR 10 2.391 4.713 -6.204 70 1HB TYR 10 HB2 TYR 10 0.520 3.220 -5.650 71 2HB TYR 10 HB1 TYR 10 0.215 2.939 -7.362 72 HD1 TYR 10 HD1 TYR 10 3.144 2.752 -5.024 73 HD2 TYR 10 HD2 TYR 10 0.931 0.945 -8.167 74 HE1 TYR 10 HE1 TYR 10 4.732 0.867 -5.065 75 HE2 TYR 10 HE2 TYR 10 2.508 -0.936 -8.204 76 HH TYR 10 HH TYR 10 4.865 -1.442 -5.778 77 H ARG 11 HN ARG 11 3.725 3.170 -7.580 78 HA ARG 11 HA ARG 11 3.938 4.261 -10.286 79 1HB ARG 11 HB2 ARG 11 6.320 3.376 -10.088 80 2HB ARG 11 HB1 ARG 11 5.890 4.772 -9.105 81 1HG ARG 11 HG2 ARG 11 5.537 3.312 -7.180 82 2HG ARG 11 HG1 ARG 11 5.970 1.907 -8.154 83 1HD ARG 11 HD2 ARG 11 7.865 2.574 -6.845 84 2HD ARG 11 HD1 ARG 11 8.196 2.922 -8.545 85 HE ARG 11 HE ARG 11 7.103 5.216 -7.361 86 1HH1 ARG 11 HH11 ARG 11 10.006 3.314 -7.243 87 2HH1 ARG 11 HH12 ARG 11 11.001 4.638 -6.755 88 1HH2 ARG 11 HH21 ARG 11 8.391 6.944 -6.714 89 2HH2 ARG 11 HH22 ARG 11 10.082 6.704 -6.459 90 H GLY 12 HN GLY 12 2.882 2.940 -11.655 91 1HA GLY 12 HA2 GLY 12 2.384 1.088 -12.916 92 2HA GLY 12 HA1 GLY 12 4.032 0.592 -12.568 93 H VAL 13 HN VAL 13 3.685 -1.549 -12.385 94 HA VAL 13 HA VAL 13 1.604 -2.600 -10.648 95 HB VAL 13 HB VAL 13 3.740 -4.086 -12.198 96 1HG1 VAL 13 HG11 VAL 13 1.217 -5.099 -10.881 97 2HG1 VAL 13 HG12 VAL 13 2.868 -5.405 -10.341 98 3HG1 VAL 13 HG13 VAL 13 2.309 -6.052 -11.883 99 1HG2 VAL 13 HG21 VAL 13 0.853 -3.580 -12.904 100 2HG2 VAL 13 HG22 VAL 13 1.997 -4.553 -13.831 101 3HG2 VAL 13 HG23 VAL 13 2.250 -2.815 -13.663 102 H CYS 14 HN CYS 14 1.966 -3.836 -8.792 103 HA CYS 14 HA CYS 14 4.471 -3.164 -7.430 104 1HB CYS 14 HB2 CYS 14 2.254 -2.705 -6.362 105 2HB CYS 14 HB1 CYS 14 2.001 -4.448 -6.261 106 H PHE 15 HN PHE 15 6.087 -4.573 -7.394 107 HA PHE 15 HA PHE 15 5.479 -7.429 -7.706 108 1HB PHE 15 HB2 PHE 15 8.069 -5.960 -8.231 109 2HB PHE 15 HB1 PHE 15 7.826 -7.693 -8.434 110 HD1 PHE 15 HD1 PHE 15 6.215 -4.501 -9.531 111 HD2 PHE 15 HD2 PHE 15 7.485 -8.429 -10.563 112 HE1 PHE 15 HE1 PHE 15 5.481 -4.125 -11.845 113 HE2 PHE 15 HE2 PHE 15 6.751 -8.058 -12.883 114 HZ PHE 15 HZ PHE 15 5.748 -5.903 -13.527 115 H THR 16 HN THR 16 7.683 -5.253 -5.913 116 HA THR 16 HA THR 16 8.110 -7.417 -3.965 117 HB THR 16 HB THR 16 10.056 -6.139 -3.197 118 HG1 THR 16 HG1 THR 16 9.782 -4.321 -5.305 119 1HG2 THR 16 HG21 THR 16 10.019 -6.393 -6.195 120 2HG2 THR 16 HG22 THR 16 10.448 -7.659 -5.045 121 3HG2 THR 16 HG23 THR 16 11.457 -6.219 -5.192 122 H ASN 17 HN ASN 17 7.696 -7.168 -1.789 123 HA ASN 17 HA ASN 17 5.558 -5.574 -1.023 124 1HB ASN 17 HB2 ASN 17 7.731 -6.694 0.769 125 2HB ASN 17 HB1 ASN 17 6.115 -6.215 1.272 126 1HD2 ASN 17 HD21 ASN 17 4.797 -7.882 1.584 127 2HD2 ASN 17 HD22 ASN 17 4.828 -9.372 0.711 128 H ALA 18 HN ALA 18 9.010 -4.863 -1.009 129 HA ALA 18 HA ALA 18 9.046 -2.623 0.662 130 1HB ALA 18 HB1 ALA 18 10.835 -2.805 -1.733 131 2HB ALA 18 HB2 ALA 18 10.996 -3.944 -0.394 132 3HB ALA 18 HB3 ALA 18 11.187 -2.215 -0.107 133 H SER 19 HN SER 19 8.180 -2.820 -2.807 134 HA SER 19 HA SER 19 8.267 -0.037 -3.299 135 1HB SER 19 HB2 SER 19 7.001 -0.430 -5.311 136 2HB SER 19 HB1 SER 19 8.104 -1.800 -5.092 137 HG SER 19 HG SER 19 6.110 -2.701 -3.889 138 H CYS 20 HN CYS 20 5.754 -2.002 -1.790 139 HA CYS 20 HA CYS 20 3.875 0.220 -1.856 140 1HB CYS 20 HB2 CYS 20 3.655 -2.530 -0.641 141 2HB CYS 20 HB1 CYS 20 2.405 -1.308 -0.530 142 H ASP 21 HN ASP 21 5.760 -1.587 0.594 143 HA ASP 21 HA ASP 21 4.851 -0.358 2.893 144 1HB ASP 21 HB2 ASP 21 6.548 -2.230 2.729 145 2HB ASP 21 HB1 ASP 21 7.760 -1.008 2.362 146 H ASP 22 HN ASP 22 7.820 0.660 1.155 147 HA ASP 22 HA ASP 22 8.279 3.112 2.368 148 1HB ASP 22 HB2 ASP 22 9.753 2.014 0.648 149 2HB ASP 22 HB1 ASP 22 8.603 2.506 -0.591 150 H HIS 23 HN HIS 23 6.464 2.456 -0.568 151 HA HIS 23 HA HIS 23 5.396 4.896 -1.206 152 1HB HIS 23 HB2 HIS 23 5.214 2.904 -2.565 153 2HB HIS 23 HB1 HIS 23 4.251 2.102 -1.349 154 HD1 HIS 23 HD1 HIS 23 3.653 5.540 -2.762 155 HD2 HIS 23 HD2 HIS 23 2.008 1.760 -2.804 156 HE1 HIS 23 HE1 HIS 23 1.436 5.791 -3.930 157 HE2 HIS 23 HE2 HIS 23 0.359 3.519 -3.736 158 H CYS 24 HN CYS 24 3.875 2.430 0.845 159 HA CYS 24 HA CYS 24 1.653 3.910 1.658 160 1HB CYS 24 HB2 CYS 24 3.180 1.690 3.019 161 2HB CYS 24 HB1 CYS 24 1.691 2.361 3.680 162 H LYS 25 HN LYS 25 4.822 3.613 3.310 163 HA LYS 25 HA LYS 25 4.143 5.297 5.471 164 1HB LYS 25 HB2 LYS 25 6.871 4.720 4.305 165 2HB LYS 25 HB1 LYS 25 6.581 5.500 5.854 166 1HG LYS 25 HG2 LYS 25 5.370 3.449 6.583 167 2HG LYS 25 HG1 LYS 25 5.874 2.681 5.076 168 1HD LYS 25 HD2 LYS 25 8.218 3.003 5.683 169 2HD LYS 25 HD1 LYS 25 7.731 3.808 7.176 170 1HE LYS 25 HE2 LYS 25 7.177 0.945 6.416 171 2HE LYS 25 HE1 LYS 25 8.336 1.501 7.622 172 1HZ LYS 25 HZ1 LYS 25 6.668 1.266 9.071 173 2HZ LYS 25 HZ2 LYS 25 5.484 1.113 7.860 174 3HZ LYS 25 HZ3 LYS 25 5.982 2.652 8.388 175 H ASN 26 HN ASN 26 5.691 6.035 2.378 176 HA ASN 26 HA ASN 26 6.030 8.814 3.033 177 1HB ASN 26 HB2 ASN 26 6.516 7.183 0.555 178 2HB ASN 26 HB1 ASN 26 6.786 8.910 0.594 179 1HD2 ASN 26 HD21 ASN 26 8.334 6.236 0.615 180 2HD2 ASN 26 HD22 ASN 26 9.662 6.627 1.640 181 H LYS 27 HN LYS 27 3.621 6.986 1.178 182 HA LYS 27 HA LYS 27 2.449 9.485 0.196 183 1HB LYS 27 HB2 LYS 27 1.676 6.608 -0.305 184 2HB LYS 27 HB1 LYS 27 0.904 7.996 -1.058 185 1HG LYS 27 HG2 LYS 27 3.816 7.312 -1.340 186 2HG LYS 27 HG1 LYS 27 2.557 6.864 -2.493 187 1HD LYS 27 HD2 LYS 27 2.067 9.203 -2.912 188 2HD LYS 27 HD1 LYS 27 3.243 9.696 -1.692 189 1HE LYS 27 HE2 LYS 27 4.173 9.930 -3.924 190 2HE LYS 27 HE1 LYS 27 5.027 8.680 -3.020 191 1HZ LYS 27 HZ1 LYS 27 4.467 7.160 -4.530 192 2HZ LYS 27 HZ2 LYS 27 3.931 8.422 -5.520 193 3HZ LYS 27 HZ3 LYS 27 2.828 7.601 -4.528 194 H ALA 28 HN ALA 28 1.157 6.622 1.919 195 HA ALA 28 HA ALA 28 -0.834 8.398 3.160 196 1HB ALA 28 HB1 ALA 28 -1.118 5.754 1.877 197 2HB ALA 28 HB2 ALA 28 -2.273 7.079 2.025 198 3HB ALA 28 HB3 ALA 28 -2.012 5.982 3.381 199 H HIS 29 HN HIS 29 0.612 8.801 4.807 200 HA HIS 29 HA HIS 29 2.203 7.553 6.432 201 1HB HIS 29 HB2 HIS 29 1.469 9.879 6.753 202 2HB HIS 29 HB1 HIS 29 -0.039 9.304 7.458 203 HD1 HIS 29 HD1 HIS 29 3.661 8.696 8.196 204 HD2 HIS 29 HD2 HIS 29 0.075 9.494 10.137 205 HE1 HIS 29 HE1 HIS 29 4.237 8.840 10.644 206 HE2 HIS 29 HE2 HIS 29 2.073 9.455 11.778 207 H LEU 30 HN LEU 30 1.429 5.340 6.136 208 HA LEU 30 HA LEU 30 -0.183 4.457 8.446 209 1HB LEU 30 HB2 LEU 30 -0.180 3.504 5.618 210 2HB LEU 30 HB1 LEU 30 -0.462 2.330 6.888 211 HG LEU 30 HG LEU 30 -2.434 3.542 7.631 212 1HD1 LEU 30 HD11 LEU 30 -3.247 5.505 6.646 213 2HD1 LEU 30 HD12 LEU 30 -2.104 5.412 5.309 214 3HD1 LEU 30 HD13 LEU 30 -1.537 5.811 6.928 215 1HD2 LEU 30 HD21 LEU 30 -2.376 1.919 5.610 216 2HD2 LEU 30 HD22 LEU 30 -2.723 3.368 4.666 217 3HD2 LEU 30 HD23 LEU 30 -3.834 2.855 5.934 218 H ILE 31 HN ILE 31 0.323 1.928 8.753 219 HA ILE 31 HA ILE 31 3.021 1.844 9.599 220 HB ILE 31 HB ILE 31 2.536 -0.466 10.316 221 1HG1 ILE 31 HG12 ILE 31 -0.216 0.119 9.208 222 2HG1 ILE 31 HG11 ILE 31 0.931 -1.064 8.584 223 1HG2 ILE 31 HG21 ILE 31 2.139 1.499 11.741 224 2HG2 ILE 31 HG22 ILE 31 1.024 0.178 12.092 225 3HG2 ILE 31 HG23 ILE 31 0.479 1.567 11.152 226 1HD1 ILE 31 HD11 ILE 31 0.059 -1.261 11.420 227 2HD1 ILE 31 HD12 ILE 31 0.554 -2.533 10.302 228 3HD1 ILE 31 HD13 ILE 31 -1.036 -1.787 10.142 229 H SER 32 HN SER 32 1.296 0.051 7.027 230 HA SER 32 HA SER 32 3.694 -0.024 5.463 231 1HB SER 32 HB2 SER 32 4.217 -1.798 7.062 232 2HB SER 32 HB1 SER 32 2.726 -2.640 6.632 233 HG SER 32 HG SER 32 5.024 -2.181 5.031 234 H GLY 33 HN GLY 33 3.142 -2.276 3.872 235 1HA GLY 33 HA2 GLY 33 0.495 -2.492 2.923 236 2HA GLY 33 HA1 GLY 33 1.288 -1.217 2.013 237 H THR 34 HN THR 34 0.312 -3.976 1.227 238 HA THR 34 HA THR 34 2.881 -4.959 0.149 239 HB THR 34 HB THR 34 1.959 -6.562 1.723 240 HG1 THR 34 HG1 THR 34 1.634 -8.324 0.108 241 1HG2 THR 34 HG21 THR 34 -0.438 -6.735 -0.086 242 2HG2 THR 34 HG22 THR 34 -0.424 -5.988 1.515 243 3HG2 THR 34 HG23 THR 34 -0.116 -7.716 1.338 244 H CYS 35 HN CYS 35 2.593 -6.371 -1.818 245 HA CYS 35 HA CYS 35 1.364 -4.817 -3.888 246 1HB CYS 35 HB2 CYS 35 2.759 -7.498 -3.981 247 2HB CYS 35 HB1 CYS 35 2.222 -6.605 -5.403 248 H HIS 36 HN HIS 36 -0.790 -4.875 -4.157 249 HA HIS 36 HA HIS 36 -2.208 -7.416 -3.892 250 1HB HIS 36 HB2 HIS 36 -3.196 -4.567 -4.162 251 2HB HIS 36 HB1 HIS 36 -4.244 -5.972 -4.035 252 HD1 HIS 36 HD1 HIS 36 -1.262 -4.754 -1.954 253 HD2 HIS 36 HD2 HIS 36 -5.151 -6.117 -1.576 254 HE1 HIS 36 HE1 HIS 36 -1.706 -4.831 0.522 255 HE2 HIS 36 HE2 HIS 36 -4.125 -5.540 0.739 256 H ASN 37 HN ASN 37 -4.310 -6.403 -5.774 257 HA ASN 37 HA ASN 37 -3.422 -7.680 -8.108 258 1HB ASN 37 HB2 ASN 37 -5.767 -5.802 -7.720 259 2HB ASN 37 HB1 ASN 37 -5.518 -6.823 -9.135 260 1HD2 ASN 37 HD21 ASN 37 -7.241 -6.606 -6.412 261 2HD2 ASN 37 HD22 ASN 37 -7.489 -8.279 -6.066 262 H TRP 38 HN TRP 38 -1.358 -6.468 -8.321 263 HA TRP 38 HA TRP 38 0.004 -5.065 -9.496 264 1HB TRP 38 HB2 TRP 38 -2.565 -4.622 -11.005 265 2HB TRP 38 HB1 TRP 38 -1.087 -3.785 -11.444 266 HD1 TRP 38 HD1 TRP 38 -0.246 -4.853 -13.577 267 HE1 TRP 38 HE1 TRP 38 0.152 -7.238 -14.447 268 HE3 TRP 38 HE3 TRP 38 -2.211 -7.526 -9.665 269 HZ2 TRP 38 HZ2 TRP 38 -0.303 -9.875 -13.616 270 HZ3 TRP 38 HZ3 TRP 38 -2.184 -9.970 -9.794 271 HH2 TRP 38 HH2 TRP 38 -1.255 -11.126 -11.729 272 H LYS 39 HN LYS 39 -1.569 -4.162 -7.098 273 HA LYS 39 HA LYS 39 -1.033 -1.295 -7.398 274 1HB LYS 39 HB2 LYS 39 -3.590 -2.469 -6.302 275 2HB LYS 39 HB1 LYS 39 -3.151 -0.774 -6.209 276 1HG LYS 39 HG2 LYS 39 -3.209 -0.605 -8.633 277 2HG LYS 39 HG1 LYS 39 -3.594 -2.326 -8.752 278 1HD LYS 39 HD2 LYS 39 -5.659 -1.937 -7.466 279 2HD LYS 39 HD1 LYS 39 -5.283 -0.217 -7.395 280 1HE LYS 39 HE2 LYS 39 -5.752 -1.790 -9.930 281 2HE LYS 39 HE1 LYS 39 -6.958 -0.787 -9.125 282 1HZ LYS 39 HZ1 LYS 39 -5.688 0.236 -11.055 283 2HZ LYS 39 HZ2 LYS 39 -4.360 0.334 -10.010 284 3HZ LYS 39 HZ3 LYS 39 -5.793 1.153 -9.638 285 H CYS 40 HN CYS 40 -1.443 -0.223 -5.102 286 HA CYS 40 HA CYS 40 -0.218 -1.955 -3.063 287 1HB CYS 40 HB2 CYS 40 0.340 0.902 -3.795 288 2HB CYS 40 HB1 CYS 40 0.699 0.294 -2.186 289 H PHE 41 HN PHE 41 -1.586 -2.361 -1.496 290 HA PHE 41 HA PHE 41 -3.471 -0.253 -0.670 291 1HB PHE 41 HB2 PHE 41 -3.682 -3.255 -0.324 292 2HB PHE 41 HB1 PHE 41 -4.789 -2.095 0.402 293 HD1 PHE 41 HD1 PHE 41 -3.341 -2.510 -3.030 294 HD2 PHE 41 HD2 PHE 41 -6.820 -2.151 -0.608 295 HE1 PHE 41 HE1 PHE 41 -4.751 -2.583 -5.045 296 HE2 PHE 41 HE2 PHE 41 -8.232 -2.227 -2.620 297 HZ PHE 41 HZ PHE 41 -7.198 -2.445 -4.842 298 H CYS 42 HN CYS 42 -3.241 0.573 1.306 299 HA CYS 42 HA CYS 42 -1.127 -0.576 2.989 300 1HB CYS 42 HB2 CYS 42 -2.315 2.206 3.047 301 2HB CYS 42 HB1 CYS 42 -0.849 1.655 3.850 302 H THR 43 HN THR 43 -1.435 -0.676 5.274 303 HA THR 43 HA THR 43 -4.251 -1.003 6.021 304 HB THR 43 HB THR 43 -3.301 -2.432 7.853 305 HG1 THR 43 HG1 THR 43 -1.195 -2.882 7.895 306 1HG2 THR 43 HG21 THR 43 -2.175 -3.762 5.537 307 2HG2 THR 43 HG22 THR 43 -3.791 -3.117 5.253 308 3HG2 THR 43 HG23 THR 43 -3.511 -4.239 6.584 309 H GLN 44 HN GLN 44 -5.126 0.034 7.672 310 HA GLN 44 HA GLN 44 -3.405 1.711 9.369 311 1HB GLN 44 HB2 GLN 44 -4.442 3.081 7.585 312 2HB GLN 44 HB1 GLN 44 -6.030 2.553 8.115 313 1HG GLN 44 HG2 GLN 44 -5.700 3.663 10.256 314 2HG GLN 44 HG1 GLN 44 -4.082 4.157 9.762 315 1HE2 GLN 44 HE21 GLN 44 -3.931 6.155 9.023 316 2HE2 GLN 44 HE22 GLN 44 -5.204 7.063 8.290 317 H ASN 45 HN ASN 45 -4.231 2.150 11.453 318 HA ASN 45 HA ASN 45 -5.705 0.005 12.601 319 1HB ASN 45 HB2 ASN 45 -4.832 2.655 13.790 320 2HB ASN 45 HB1 ASN 45 -5.468 1.295 14.708 321 1HD2 ASN 45 HD21 ASN 45 -2.715 2.821 13.878 322 2HD2 ASN 45 HD22 ASN 45 -1.595 1.515 14.020 323 H CYS 46 HN CYS 46 -7.849 -0.184 12.928 324 HA CYS 46 HA CYS 46 -9.552 2.135 13.225 325 1HB CYS 46 HB2 CYS 46 -11.032 1.567 11.340 326 2HB CYS 46 HB1 CYS 46 -9.411 1.998 10.792 Start of MODEL 19 1 1H LYS 1 HT1 LYS 1 -9.550 -5.153 15.188 2 2H LYS 1 HT2 LYS 1 -11.063 -5.892 15.048 3 3H LYS 1 HT3 LYS 1 -10.920 -4.222 14.832 4 HA LYS 1 HA LYS 1 -9.558 -6.195 13.089 5 1HB LYS 1 HB2 LYS 1 -12.253 -4.854 12.772 6 2HB LYS 1 HB1 LYS 1 -11.403 -5.649 11.455 7 1HG LYS 1 HG2 LYS 1 -11.491 -7.770 12.683 8 2HG LYS 1 HG1 LYS 1 -12.364 -6.967 13.992 9 1HD LYS 1 HD2 LYS 1 -14.199 -6.449 12.490 10 2HD LYS 1 HD1 LYS 1 -13.317 -7.151 11.132 11 1HE LYS 1 HE2 LYS 1 -13.375 -9.342 12.234 12 2HE LYS 1 HE1 LYS 1 -14.251 -8.634 13.592 13 1HZ LYS 1 HZ1 LYS 1 -15.388 -9.763 11.387 14 2HZ LYS 1 HZ2 LYS 1 -15.508 -8.108 11.059 15 3HZ LYS 1 HZ3 LYS 1 -16.173 -8.737 12.481 16 H THR 2 HN THR 2 -9.203 -5.122 10.879 17 HA THR 2 HA THR 2 -8.699 -2.237 11.130 18 HB THR 2 HB THR 2 -6.565 -3.198 11.609 19 HG1 THR 2 HG1 THR 2 -6.321 -2.569 8.883 20 1HG2 THR 2 HG21 THR 2 -7.258 -5.120 9.528 21 2HG2 THR 2 HG22 THR 2 -6.187 -5.287 10.919 22 3HG2 THR 2 HG23 THR 2 -5.606 -4.517 9.442 23 H CYS 3 HN CYS 3 -8.271 -1.179 9.086 24 HA CYS 3 HA CYS 3 -9.524 -2.577 6.803 25 1HB CYS 3 HB2 CYS 3 -10.425 -0.261 6.166 26 2HB CYS 3 HB1 CYS 3 -11.185 -1.061 7.539 27 H GLU 4 HN GLU 4 -8.691 -2.195 4.774 28 HA GLU 4 HA GLU 4 -6.115 -0.773 4.732 29 1HB GLU 4 HB2 GLU 4 -7.113 -3.024 2.973 30 2HB GLU 4 HB1 GLU 4 -5.595 -2.172 2.729 31 1HG GLU 4 HG2 GLU 4 -4.825 -2.945 4.930 32 2HG GLU 4 HG1 GLU 4 -6.333 -3.833 5.130 33 H HIS 5 HN HIS 5 -5.563 0.499 2.921 34 HA HIS 5 HA HIS 5 -7.795 1.275 1.172 35 1HB HIS 5 HB2 HIS 5 -5.966 3.207 2.624 36 2HB HIS 5 HB1 HIS 5 -7.167 3.658 1.422 37 HD1 HIS 5 HD1 HIS 5 -9.687 2.447 2.268 38 HD2 HIS 5 HD2 HIS 5 -6.930 3.811 5.056 39 HE1 HIS 5 HE1 HIS 5 -11.011 2.876 4.366 40 HE2 HIS 5 HE2 HIS 5 -9.327 3.773 6.018 41 H LEU 6 HN LEU 6 -7.248 1.642 -0.924 42 HA LEU 6 HA LEU 6 -4.495 1.084 -1.696 43 1HB LEU 6 HB2 LEU 6 -6.290 -0.106 -2.843 44 2HB LEU 6 HB1 LEU 6 -7.015 1.413 -3.342 45 HG LEU 6 HG LEU 6 -4.293 0.472 -4.264 46 1HD1 LEU 6 HD11 LEU 6 -5.869 0.254 -6.428 47 2HD1 LEU 6 HD12 LEU 6 -7.027 -0.172 -5.169 48 3HD1 LEU 6 HD13 LEU 6 -5.531 -1.090 -5.336 49 1HD2 LEU 6 HD21 LEU 6 -6.003 2.353 -5.793 50 2HD2 LEU 6 HD22 LEU 6 -4.248 2.269 -5.670 51 3HD2 LEU 6 HD23 LEU 6 -5.189 2.982 -4.369 52 H ALA 7 HN ALA 7 -3.080 2.608 -2.224 53 HA ALA 7 HA ALA 7 -3.937 5.382 -2.275 54 1HB ALA 7 HB1 ALA 7 -1.430 3.957 -1.765 55 2HB ALA 7 HB2 ALA 7 -2.040 5.467 -1.089 56 3HB ALA 7 HB3 ALA 7 -1.236 5.468 -2.657 57 H ASP 8 HN ASP 8 -4.422 6.433 -4.064 58 HA ASP 8 HA ASP 8 -4.127 5.346 -6.657 59 1HB ASP 8 HB2 ASP 8 -4.843 8.154 -5.809 60 2HB ASP 8 HB1 ASP 8 -5.043 7.499 -7.431 61 H THR 9 HN THR 9 -1.794 7.012 -4.817 62 HA THR 9 HA THR 9 -0.451 7.936 -7.268 63 HB THR 9 HB THR 9 0.999 9.279 -5.769 64 HG1 THR 9 HG1 THR 9 -0.721 8.967 -3.622 65 1HG2 THR 9 HG21 THR 9 -0.394 11.016 -5.752 66 2HG2 THR 9 HG22 THR 9 -1.621 10.158 -4.822 67 3HG2 THR 9 HG23 THR 9 -1.509 9.918 -6.564 68 H TYR 10 HN TYR 10 -0.196 5.502 -7.431 69 HA TYR 10 HA TYR 10 2.224 4.590 -6.031 70 1HB TYR 10 HB2 TYR 10 0.242 3.161 -5.739 71 2HB TYR 10 HB1 TYR 10 0.063 3.023 -7.483 72 HD1 TYR 10 HD1 TYR 10 0.486 0.866 -8.135 73 HD2 TYR 10 HD2 TYR 10 3.003 2.632 -5.192 74 HE1 TYR 10 HE1 TYR 10 1.933 -1.120 -8.185 75 HE2 TYR 10 HE2 TYR 10 4.454 0.642 -5.235 76 HH TYR 10 HH TYR 10 4.565 -1.460 -7.602 77 H ARG 11 HN ARG 11 3.307 2.782 -7.766 78 HA ARG 11 HA ARG 11 4.078 4.436 -10.036 79 1HB ARG 11 HB2 ARG 11 5.607 2.044 -9.090 80 2HB ARG 11 HB1 ARG 11 6.207 3.504 -9.858 81 1HG ARG 11 HG2 ARG 11 5.729 4.753 -7.771 82 2HG ARG 11 HG1 ARG 11 5.238 3.238 -7.009 83 1HD ARG 11 HD2 ARG 11 7.971 3.827 -8.164 84 2HD ARG 11 HD1 ARG 11 7.556 3.841 -6.450 85 HE ARG 11 HE ARG 11 6.855 1.337 -7.406 86 1HH1 ARG 11 HH11 ARG 11 9.775 3.206 -7.135 87 2HH1 ARG 11 HH12 ARG 11 10.790 1.822 -6.938 88 1HH2 ARG 11 HH21 ARG 11 8.187 -0.475 -7.146 89 2HH2 ARG 11 HH22 ARG 11 9.891 -0.267 -6.949 90 H GLY 12 HN GLY 12 1.684 2.767 -10.161 91 1HA GLY 12 HA2 GLY 12 0.721 1.591 -11.919 92 2HA GLY 12 HA1 GLY 12 2.325 1.323 -12.589 93 H VAL 13 HN VAL 13 3.144 -0.671 -12.448 94 HA VAL 13 HA VAL 13 1.639 -2.732 -11.040 95 HB VAL 13 HB VAL 13 4.069 -2.977 -12.825 96 1HG1 VAL 13 HG11 VAL 13 2.271 -5.040 -11.578 97 2HG1 VAL 13 HG12 VAL 13 4.030 -4.922 -11.510 98 3HG1 VAL 13 HG13 VAL 13 3.235 -5.374 -13.017 99 1HG2 VAL 13 HG21 VAL 13 1.180 -2.791 -13.381 100 2HG2 VAL 13 HG22 VAL 13 2.056 -4.049 -14.253 101 3HG2 VAL 13 HG23 VAL 13 2.562 -2.366 -14.389 102 H CYS 14 HN CYS 14 2.608 -4.291 -9.596 103 HA CYS 14 HA CYS 14 4.880 -3.158 -8.092 104 1HB CYS 14 HB2 CYS 14 3.024 -3.448 -6.622 105 2HB CYS 14 HB1 CYS 14 2.746 -5.096 -7.197 106 H PHE 15 HN PHE 15 6.600 -4.411 -7.409 107 HA PHE 15 HA PHE 15 6.960 -6.958 -8.838 108 1HB PHE 15 HB2 PHE 15 9.081 -4.869 -8.264 109 2HB PHE 15 HB1 PHE 15 9.359 -6.425 -9.045 110 HD1 PHE 15 HD1 PHE 15 7.032 -3.518 -9.478 111 HD2 PHE 15 HD2 PHE 15 9.634 -6.343 -11.310 112 HE1 PHE 15 HE1 PHE 15 6.569 -2.510 -11.671 113 HE2 PHE 15 HE2 PHE 15 9.178 -5.335 -13.510 114 HZ PHE 15 HZ PHE 15 7.646 -3.415 -13.690 115 H THR 16 HN THR 16 8.154 -5.059 -6.045 116 HA THR 16 HA THR 16 8.328 -7.584 -4.529 117 HB THR 16 HB THR 16 10.305 -6.752 -3.376 118 HG1 THR 16 HG1 THR 16 11.232 -4.789 -3.990 119 1HG2 THR 16 HG21 THR 16 11.091 -6.149 -6.154 120 2HG2 THR 16 HG22 THR 16 10.386 -7.735 -5.844 121 3HG2 THR 16 HG23 THR 16 11.829 -7.226 -4.968 122 H ASN 17 HN ASN 17 7.925 -7.421 -2.248 123 HA ASN 17 HA ASN 17 5.753 -5.875 -1.512 124 1HB ASN 17 HB2 ASN 17 7.858 -7.166 0.230 125 2HB ASN 17 HB1 ASN 17 6.332 -6.522 0.829 126 1HD2 ASN 17 HD21 ASN 17 7.823 -9.284 0.017 127 2HD2 ASN 17 HD22 ASN 17 6.463 -10.236 -0.458 128 H ALA 18 HN ALA 18 9.184 -5.092 -1.203 129 HA ALA 18 HA ALA 18 9.046 -2.965 0.588 130 1HB ALA 18 HB1 ALA 18 10.903 -2.969 -1.776 131 2HB ALA 18 HB2 ALA 18 11.111 -4.089 -0.431 132 3HB ALA 18 HB3 ALA 18 11.191 -2.350 -0.149 133 H SER 19 HN SER 19 8.203 -3.090 -2.808 134 HA SER 19 HA SER 19 8.176 -0.422 -3.531 135 1HB SER 19 HB2 SER 19 6.371 -1.044 -5.112 136 2HB SER 19 HB1 SER 19 7.668 -2.243 -5.097 137 HG SER 19 HG SER 19 6.389 -3.642 -3.991 138 H CYS 20 HN CYS 20 5.184 -2.119 -2.636 139 HA CYS 20 HA CYS 20 3.642 0.112 -2.107 140 1HB CYS 20 HB2 CYS 20 3.474 -2.675 -0.985 141 2HB CYS 20 HB1 CYS 20 2.241 -1.454 -0.702 142 H ASP 21 HN ASP 21 5.704 -1.713 0.183 143 HA ASP 21 HA ASP 21 4.832 -0.464 2.515 144 1HB ASP 21 HB2 ASP 21 6.447 -2.426 2.318 145 2HB ASP 21 HB1 ASP 21 7.716 -1.227 2.064 146 H ASP 22 HN ASP 22 7.809 0.453 0.696 147 HA ASP 22 HA ASP 22 8.340 2.875 1.964 148 1HB ASP 22 HB2 ASP 22 9.888 2.002 0.321 149 2HB ASP 22 HB1 ASP 22 8.677 2.089 -0.946 150 H HIS 23 HN HIS 23 6.518 2.347 -0.983 151 HA HIS 23 HA HIS 23 5.483 4.795 -1.545 152 1HB HIS 23 HB2 HIS 23 5.091 2.930 -2.974 153 2HB HIS 23 HB1 HIS 23 4.276 2.039 -1.715 154 HD1 HIS 23 HD1 HIS 23 3.481 5.547 -2.867 155 HD2 HIS 23 HD2 HIS 23 1.880 1.767 -2.884 156 HE1 HIS 23 HE1 HIS 23 1.091 5.842 -3.609 157 HE2 HIS 23 HE2 HIS 23 0.141 3.510 -3.646 158 H CYS 24 HN CYS 24 3.766 2.388 0.448 159 HA CYS 24 HA CYS 24 1.730 4.030 1.359 160 1HB CYS 24 HB2 CYS 24 3.097 1.657 2.578 161 2HB CYS 24 HB1 CYS 24 1.839 2.514 3.462 162 H LYS 25 HN LYS 25 4.783 3.360 3.108 163 HA LYS 25 HA LYS 25 4.388 5.109 5.224 164 1HB LYS 25 HB2 LYS 25 6.930 4.235 3.876 165 2HB LYS 25 HB1 LYS 25 6.922 5.219 5.333 166 1HG LYS 25 HG2 LYS 25 5.679 3.441 6.496 167 2HG LYS 25 HG1 LYS 25 5.763 2.458 5.032 168 1HD LYS 25 HD2 LYS 25 8.161 2.361 5.159 169 2HD LYS 25 HD1 LYS 25 8.185 3.524 6.485 170 1HE LYS 25 HE2 LYS 25 8.535 1.243 7.284 171 2HE LYS 25 HE1 LYS 25 7.044 1.935 7.925 172 1HZ LYS 25 HZ1 LYS 25 6.090 0.062 7.210 173 2HZ LYS 25 HZ2 LYS 25 7.416 -0.367 6.237 174 3HZ LYS 25 HZ3 LYS 25 6.239 0.687 5.646 175 H ASN 26 HN ASN 26 5.895 5.829 2.090 176 HA ASN 26 HA ASN 26 6.345 8.576 2.830 177 1HB ASN 26 HB2 ASN 26 6.810 7.001 0.315 178 2HB ASN 26 HB1 ASN 26 7.125 8.719 0.400 179 1HD2 ASN 26 HD21 ASN 26 8.618 6.025 0.360 180 2HD2 ASN 26 HD22 ASN 26 9.928 6.353 1.432 181 H LYS 27 HN LYS 27 3.886 6.887 0.924 182 HA LYS 27 HA LYS 27 2.807 9.404 -0.062 183 1HB LYS 27 HB2 LYS 27 1.993 6.531 -0.421 184 2HB LYS 27 HB1 LYS 27 0.992 7.857 -0.998 185 1HG LYS 27 HG2 LYS 27 3.847 7.342 -1.802 186 2HG LYS 27 HG1 LYS 27 2.413 6.940 -2.758 187 1HD LYS 27 HD2 LYS 27 1.807 9.309 -2.851 188 2HD LYS 27 HD1 LYS 27 3.214 9.723 -1.870 189 1HE LYS 27 HE2 LYS 27 3.309 8.417 -4.596 190 2HE LYS 27 HE1 LYS 27 3.549 10.138 -4.283 191 1HZ LYS 27 HZ1 LYS 27 5.435 9.500 -2.816 192 2HZ LYS 27 HZ2 LYS 27 5.679 9.109 -4.445 193 3HZ LYS 27 HZ3 LYS 27 5.260 7.899 -3.340 194 H ALA 28 HN ALA 28 1.668 6.825 2.126 195 HA ALA 28 HA ALA 28 -0.113 8.821 3.348 196 1HB ALA 28 HB1 ALA 28 -0.800 5.967 2.670 197 2HB ALA 28 HB2 ALA 28 -1.555 7.433 2.043 198 3HB ALA 28 HB3 ALA 28 -1.766 6.986 3.737 199 H HIS 29 HN HIS 29 1.518 9.120 4.853 200 HA HIS 29 HA HIS 29 3.089 7.697 6.369 201 1HB HIS 29 HB2 HIS 29 2.678 10.129 6.629 202 2HB HIS 29 HB1 HIS 29 1.231 9.751 7.557 203 HD1 HIS 29 HD1 HIS 29 2.994 11.393 9.117 204 HD2 HIS 29 HD2 HIS 29 3.599 7.303 8.861 205 HE1 HIS 29 HE1 HIS 29 4.381 10.800 11.130 206 HE2 HIS 29 HE2 HIS 29 4.853 8.337 10.879 207 H LEU 30 HN LEU 30 2.034 5.602 6.302 208 HA LEU 30 HA LEU 30 0.476 5.094 8.759 209 1HB LEU 30 HB2 LEU 30 0.178 3.964 6.019 210 2HB LEU 30 HB1 LEU 30 -0.141 2.898 7.375 211 HG LEU 30 HG LEU 30 -2.204 3.874 6.543 212 1HD1 LEU 30 HD11 LEU 30 -3.129 4.234 8.573 213 2HD1 LEU 30 HD12 LEU 30 -1.868 5.358 9.077 214 3HD1 LEU 30 HD13 LEU 30 -1.565 3.621 9.108 215 1HD2 LEU 30 HD21 LEU 30 -1.524 5.903 5.559 216 2HD2 LEU 30 HD22 LEU 30 -0.842 6.497 7.072 217 3HD2 LEU 30 HD23 LEU 30 -2.588 6.334 6.896 218 H ILE 31 HN ILE 31 0.732 2.349 8.957 219 HA ILE 31 HA ILE 31 3.469 2.169 9.794 220 HB ILE 31 HB ILE 31 2.822 0.056 10.838 221 1HG1 ILE 31 HG12 ILE 31 0.079 0.674 9.730 222 2HG1 ILE 31 HG11 ILE 31 1.133 -0.652 9.233 223 1HG2 ILE 31 HG21 ILE 31 0.878 1.210 12.234 224 2HG2 ILE 31 HG22 ILE 31 1.457 2.625 11.356 225 3HG2 ILE 31 HG23 ILE 31 2.565 1.704 12.373 226 1HD1 ILE 31 HD11 ILE 31 0.585 -0.573 12.101 227 2HD1 ILE 31 HD12 ILE 31 0.533 -1.926 10.970 228 3HD1 ILE 31 HD13 ILE 31 -0.840 -0.825 11.092 229 H SER 32 HN SER 32 1.449 0.196 7.560 230 HA SER 32 HA SER 32 3.936 -0.542 6.189 231 1HB SER 32 HB2 SER 32 1.942 -2.562 7.233 232 2HB SER 32 HB1 SER 32 3.284 -2.938 6.149 233 HG SER 32 HG SER 32 3.508 -3.115 8.616 234 H GLY 33 HN GLY 33 3.487 -1.911 4.198 235 1HA GLY 33 HA2 GLY 33 0.910 -1.415 2.905 236 2HA GLY 33 HA1 GLY 33 2.309 -0.624 2.183 237 H THR 34 HN THR 34 0.369 -3.176 1.761 238 HA THR 34 HA THR 34 2.548 -4.955 0.859 239 HB THR 34 HB THR 34 -0.308 -5.664 1.559 240 HG1 THR 34 HG1 THR 34 0.434 -5.897 3.499 241 1HG2 THR 34 HG21 THR 34 0.298 -7.328 0.059 242 2HG2 THR 34 HG22 THR 34 0.726 -8.012 1.628 243 3HG2 THR 34 HG23 THR 34 1.980 -7.331 0.593 244 H CYS 35 HN CYS 35 2.260 -6.138 -1.110 245 HA CYS 35 HA CYS 35 0.865 -4.561 -3.129 246 1HB CYS 35 HB2 CYS 35 2.939 -6.732 -3.318 247 2HB CYS 35 HB1 CYS 35 2.065 -6.151 -4.731 248 H HIS 36 HN HIS 36 -0.843 -5.168 -4.214 249 HA HIS 36 HA HIS 36 -1.844 -7.922 -3.880 250 1HB HIS 36 HB2 HIS 36 -3.364 -5.305 -3.959 251 2HB HIS 36 HB1 HIS 36 -4.150 -6.859 -4.200 252 HD1 HIS 36 HD1 HIS 36 -3.628 -8.612 -2.080 253 HD2 HIS 36 HD2 HIS 36 -3.356 -4.535 -1.364 254 HE1 HIS 36 HE1 HIS 36 -3.846 -8.351 0.413 255 HE2 HIS 36 HE2 HIS 36 -3.855 -5.860 0.806 256 H ASN 37 HN ASN 37 -3.951 -7.438 -5.906 257 HA ASN 37 HA ASN 37 -2.551 -8.246 -8.188 258 1HB ASN 37 HB2 ASN 37 -5.352 -7.113 -7.989 259 2HB ASN 37 HB1 ASN 37 -4.694 -7.937 -9.403 260 1HD2 ASN 37 HD21 ASN 37 -6.646 -8.361 -6.870 261 2HD2 ASN 37 HD22 ASN 37 -6.455 -10.056 -6.607 262 H TRP 38 HN TRP 38 -0.896 -6.660 -8.344 263 HA TRP 38 HA TRP 38 0.164 -4.870 -9.280 264 1HB TRP 38 HB2 TRP 38 -2.317 -4.967 -10.968 265 2HB TRP 38 HB1 TRP 38 -1.119 -3.708 -11.208 266 HD1 TRP 38 HD1 TRP 38 0.211 -4.258 -13.261 267 HE1 TRP 38 HE1 TRP 38 1.283 -6.350 -14.301 268 HE3 TRP 38 HE3 TRP 38 -1.395 -7.766 -9.901 269 HZ2 TRP 38 HZ2 TRP 38 1.427 -9.104 -13.780 270 HZ3 TRP 38 HZ3 TRP 38 -0.747 -10.106 -10.255 271 HH2 TRP 38 HH2 TRP 38 0.632 -10.764 -12.156 272 H LYS 39 HN LYS 39 -1.357 -4.418 -6.888 273 HA LYS 39 HA LYS 39 -1.707 -1.528 -7.149 274 1HB LYS 39 HB2 LYS 39 -3.803 -3.362 -5.978 275 2HB LYS 39 HB1 LYS 39 -3.856 -1.603 -5.929 276 1HG LYS 39 HG2 LYS 39 -4.024 -1.490 -8.321 277 2HG LYS 39 HG1 LYS 39 -3.791 -3.233 -8.454 278 1HD LYS 39 HD2 LYS 39 -5.894 -3.572 -7.193 279 2HD LYS 39 HD1 LYS 39 -6.133 -1.824 -7.174 280 1HE LYS 39 HE2 LYS 39 -7.434 -2.881 -8.953 281 2HE LYS 39 HE1 LYS 39 -6.210 -1.790 -9.608 282 1HZ LYS 39 HZ1 LYS 39 -6.319 -3.907 -10.823 283 2HZ LYS 39 HZ2 LYS 39 -5.924 -4.748 -9.409 284 3HZ LYS 39 HZ3 LYS 39 -4.804 -3.686 -10.097 285 H CYS 40 HN CYS 40 -1.729 -0.400 -5.070 286 HA CYS 40 HA CYS 40 -0.305 -1.925 -3.005 287 1HB CYS 40 HB2 CYS 40 0.019 0.892 -3.967 288 2HB CYS 40 HB1 CYS 40 0.487 0.449 -2.328 289 H PHE 41 HN PHE 41 -1.406 -2.317 -1.273 290 HA PHE 41 HA PHE 41 -3.436 -0.371 -0.391 291 1HB PHE 41 HB2 PHE 41 -3.268 -3.352 0.142 292 2HB PHE 41 HB1 PHE 41 -4.464 -2.270 0.857 293 HD1 PHE 41 HD1 PHE 41 -6.524 -2.651 -0.013 294 HD2 PHE 41 HD2 PHE 41 -3.173 -2.739 -2.629 295 HE1 PHE 41 HE1 PHE 41 -8.025 -3.047 -1.924 296 HE2 PHE 41 HE2 PHE 41 -4.666 -3.131 -4.536 297 HZ PHE 41 HZ PHE 41 -7.094 -3.284 -4.191 298 H CYS 42 HN CYS 42 -3.277 0.456 1.632 299 HA CYS 42 HA CYS 42 -0.870 -0.284 3.147 300 1HB CYS 42 HB2 CYS 42 -2.562 2.229 3.302 301 2HB CYS 42 HB1 CYS 42 -1.030 1.950 4.116 302 H THR 43 HN THR 43 -1.124 -0.122 5.581 303 HA THR 43 HA THR 43 -3.727 -1.244 6.354 304 HB THR 43 HB THR 43 -2.476 -2.154 8.309 305 HG1 THR 43 HG1 THR 43 -0.481 -1.647 8.617 306 1HG2 THR 43 HG21 THR 43 -2.476 -3.939 6.988 307 2HG2 THR 43 HG22 THR 43 -0.797 -3.518 6.648 308 3HG2 THR 43 HG23 THR 43 -2.078 -2.990 5.557 309 H GLN 44 HN GLN 44 -4.963 -0.277 7.830 310 HA GLN 44 HA GLN 44 -3.863 1.799 9.559 311 1HB GLN 44 HB2 GLN 44 -4.446 3.042 7.583 312 2HB GLN 44 HB1 GLN 44 -6.028 2.278 7.508 313 1HG GLN 44 HG2 GLN 44 -6.668 3.396 9.585 314 2HG GLN 44 HG1 GLN 44 -5.078 4.153 9.666 315 1HE2 GLN 44 HE21 GLN 44 -5.194 6.202 9.140 316 2HE2 GLN 44 HE22 GLN 44 -6.167 6.882 7.888 317 H ASN 45 HN ASN 45 -4.607 1.437 11.538 318 HA ASN 45 HA ASN 45 -6.670 -0.375 12.142 319 1HB ASN 45 HB2 ASN 45 -5.562 1.828 13.902 320 2HB ASN 45 HB1 ASN 45 -6.464 0.415 14.443 321 1HD2 ASN 45 HD21 ASN 45 -3.509 1.652 14.344 322 2HD2 ASN 45 HD22 ASN 45 -2.561 0.212 14.254 323 H CYS 46 HN CYS 46 -8.813 -0.147 12.539 324 HA CYS 46 HA CYS 46 -10.028 2.448 12.902 325 1HB CYS 46 HB2 CYS 46 -11.530 2.275 10.960 326 2HB CYS 46 HB1 CYS 46 -9.848 2.374 10.452 Start of MODEL 20 1 1H LYS 1 HT1 LYS 1 -10.464 -6.702 11.771 2 2H LYS 1 HT2 LYS 1 -10.889 -7.332 13.279 3 3H LYS 1 HT3 LYS 1 -9.320 -6.760 13.020 4 HA LYS 1 HA LYS 1 -11.745 -5.054 12.880 5 1HB LYS 1 HB2 LYS 1 -9.772 -5.448 15.148 6 2HB LYS 1 HB1 LYS 1 -11.022 -4.215 15.111 7 1HG LYS 1 HG2 LYS 1 -12.734 -5.993 15.053 8 2HG LYS 1 HG1 LYS 1 -11.450 -7.199 15.179 9 1HD LYS 1 HD2 LYS 1 -10.754 -6.227 17.322 10 2HD LYS 1 HD1 LYS 1 -12.042 -5.029 17.196 11 1HE LYS 1 HE2 LYS 1 -12.751 -6.786 18.673 12 2HE LYS 1 HE1 LYS 1 -13.697 -6.873 17.187 13 1HZ LYS 1 HZ1 LYS 1 -12.317 -8.689 16.428 14 2HZ LYS 1 HZ2 LYS 1 -12.937 -9.063 17.956 15 3HZ LYS 1 HZ3 LYS 1 -11.328 -8.569 17.796 16 H THR 2 HN THR 2 -9.954 -4.875 10.843 17 HA THR 2 HA THR 2 -8.704 -2.290 11.353 18 HB THR 2 HB THR 2 -6.599 -3.027 10.204 19 HG1 THR 2 HG1 THR 2 -6.384 -5.480 10.509 20 1HG2 THR 2 HG21 THR 2 -6.259 -2.859 12.480 21 2HG2 THR 2 HG22 THR 2 -5.787 -4.522 12.140 22 3HG2 THR 2 HG23 THR 2 -7.363 -4.185 12.849 23 H CYS 3 HN CYS 3 -8.537 -0.982 9.546 24 HA CYS 3 HA CYS 3 -9.825 -2.053 7.118 25 1HB CYS 3 HB2 CYS 3 -10.431 0.387 6.706 26 2HB CYS 3 HB1 CYS 3 -11.235 -0.394 8.064 27 H GLU 4 HN GLU 4 -8.775 -1.976 5.216 28 HA GLU 4 HA GLU 4 -6.203 -0.545 5.142 29 1HB GLU 4 HB2 GLU 4 -7.118 -2.947 3.546 30 2HB GLU 4 HB1 GLU 4 -5.622 -2.078 3.244 31 1HG GLU 4 HG2 GLU 4 -4.949 -2.626 5.601 32 2HG GLU 4 HG1 GLU 4 -6.359 -3.677 5.680 33 H HIS 5 HN HIS 5 -5.615 0.566 3.222 34 HA HIS 5 HA HIS 5 -7.831 1.180 1.395 35 1HB HIS 5 HB2 HIS 5 -6.063 3.244 2.731 36 2HB HIS 5 HB1 HIS 5 -7.273 3.582 1.498 37 HD1 HIS 5 HD1 HIS 5 -9.753 2.396 2.357 38 HD2 HIS 5 HD2 HIS 5 -7.062 3.870 5.152 39 HE1 HIS 5 HE1 HIS 5 -11.101 2.778 4.446 40 HE2 HIS 5 HE2 HIS 5 -9.409 3.503 6.170 41 H LEU 6 HN LEU 6 -7.283 1.349 -0.685 42 HA LEU 6 HA LEU 6 -4.539 0.786 -1.439 43 1HB LEU 6 HB2 LEU 6 -6.331 -0.442 -2.509 44 2HB LEU 6 HB1 LEU 6 -7.091 1.048 -3.042 45 HG LEU 6 HG LEU 6 -4.427 -0.007 -4.012 46 1HD1 LEU 6 HD11 LEU 6 -6.424 0.143 -6.023 47 2HD1 LEU 6 HD12 LEU 6 -7.089 -0.751 -4.656 48 3HD1 LEU 6 HD13 LEU 6 -5.586 -1.281 -5.408 49 1HD2 LEU 6 HD21 LEU 6 -5.409 1.782 -5.857 50 2HD2 LEU 6 HD22 LEU 6 -4.133 2.107 -4.685 51 3HD2 LEU 6 HD23 LEU 6 -5.800 2.551 -4.319 52 H ALA 7 HN ALA 7 -3.136 2.226 -2.254 53 HA ALA 7 HA ALA 7 -3.953 5.018 -2.278 54 1HB ALA 7 HB1 ALA 7 -1.370 3.584 -2.092 55 2HB ALA 7 HB2 ALA 7 -1.994 4.939 -1.154 56 3HB ALA 7 HB3 ALA 7 -1.357 5.211 -2.776 57 H ASP 8 HN ASP 8 -4.464 6.108 -4.000 58 HA ASP 8 HA ASP 8 -4.265 4.987 -6.626 59 1HB ASP 8 HB2 ASP 8 -5.248 7.686 -5.699 60 2HB ASP 8 HB1 ASP 8 -5.436 7.045 -7.326 61 H THR 9 HN THR 9 -2.064 6.841 -4.820 62 HA THR 9 HA THR 9 -0.850 7.919 -7.283 63 HB THR 9 HB THR 9 -1.258 9.636 -5.565 64 HG1 THR 9 HG1 THR 9 0.630 9.848 -6.842 65 1HG2 THR 9 HG21 THR 9 0.267 7.777 -3.806 66 2HG2 THR 9 HG22 THR 9 -1.196 8.702 -3.471 67 3HG2 THR 9 HG23 THR 9 0.364 9.518 -3.548 68 H TYR 10 HN TYR 10 -0.486 5.477 -7.409 69 HA TYR 10 HA TYR 10 2.015 4.716 -6.065 70 1HB TYR 10 HB2 TYR 10 0.015 3.298 -5.662 71 2HB TYR 10 HB1 TYR 10 -0.115 3.003 -7.387 72 HD1 TYR 10 HD1 TYR 10 0.212 0.721 -7.624 73 HD2 TYR 10 HD2 TYR 10 2.912 2.965 -5.220 74 HE1 TYR 10 HE1 TYR 10 1.669 -1.247 -7.433 75 HE2 TYR 10 HE2 TYR 10 4.373 0.994 -5.022 76 HH TYR 10 HH TYR 10 3.373 -2.092 -5.824 77 H ARG 11 HN ARG 11 2.681 2.638 -8.017 78 HA ARG 11 HA ARG 11 3.584 4.314 -10.233 79 1HB ARG 11 HB2 ARG 11 4.781 1.691 -9.379 80 2HB ARG 11 HB1 ARG 11 5.530 2.982 -10.305 81 1HG ARG 11 HG2 ARG 11 5.443 4.401 -8.241 82 2HG ARG 11 HG1 ARG 11 4.892 2.976 -7.355 83 1HD ARG 11 HD2 ARG 11 7.306 3.267 -7.115 84 2HD ARG 11 HD1 ARG 11 6.934 1.785 -8.005 85 HE ARG 11 HE ARG 11 7.324 3.896 -9.828 86 1HH1 ARG 11 HH11 ARG 11 9.190 1.917 -7.645 87 2HH1 ARG 11 HH12 ARG 11 10.638 2.063 -8.573 88 1HH2 ARG 11 HH21 ARG 11 9.203 4.077 -11.024 89 2HH2 ARG 11 HH22 ARG 11 10.645 3.284 -10.496 90 H GLY 12 HN GLY 12 4.466 1.661 -11.476 91 1HA GLY 12 HA2 GLY 12 1.918 1.109 -12.836 92 2HA GLY 12 HA1 GLY 12 3.522 0.747 -13.467 93 H VAL 13 HN VAL 13 4.408 -1.236 -13.098 94 HA VAL 13 HA VAL 13 2.664 -3.236 -11.890 95 HB VAL 13 HB VAL 13 5.282 -3.595 -13.360 96 1HG1 VAL 13 HG11 VAL 13 3.266 -5.549 -12.292 97 2HG1 VAL 13 HG12 VAL 13 5.010 -5.509 -12.035 98 3HG1 VAL 13 HG13 VAL 13 4.361 -5.965 -13.610 99 1HG2 VAL 13 HG21 VAL 13 2.429 -3.833 -14.308 100 2HG2 VAL 13 HG22 VAL 13 3.834 -4.378 -15.222 101 3HG2 VAL 13 HG23 VAL 13 3.636 -2.667 -14.846 102 H CYS 14 HN CYS 14 3.198 -4.554 -10.149 103 HA CYS 14 HA CYS 14 5.395 -3.545 -8.465 104 1HB CYS 14 HB2 CYS 14 3.251 -3.560 -7.352 105 2HB CYS 14 HB1 CYS 14 3.005 -5.259 -7.761 106 H PHE 15 HN PHE 15 6.991 -4.849 -7.612 107 HA PHE 15 HA PHE 15 7.113 -7.604 -8.636 108 1HB PHE 15 HB2 PHE 15 9.453 -5.698 -8.364 109 2HB PHE 15 HB1 PHE 15 9.554 -7.383 -8.870 110 HD1 PHE 15 HD1 PHE 15 7.558 -4.362 -9.833 111 HD2 PHE 15 HD2 PHE 15 9.875 -7.696 -11.107 112 HE1 PHE 15 HE1 PHE 15 7.232 -3.686 -12.172 113 HE2 PHE 15 HE2 PHE 15 9.556 -7.022 -13.453 114 HZ PHE 15 HZ PHE 15 8.233 -5.016 -13.987 115 H THR 16 HN THR 16 8.499 -5.433 -6.137 116 HA THR 16 HA THR 16 8.541 -7.759 -4.316 117 HB THR 16 HB THR 16 10.434 -6.736 -3.157 118 HG1 THR 16 HG1 THR 16 11.279 -4.818 -3.784 119 1HG2 THR 16 HG21 THR 16 11.478 -6.430 -5.867 120 2HG2 THR 16 HG22 THR 16 10.618 -7.944 -5.584 121 3HG2 THR 16 HG23 THR 16 11.987 -7.503 -4.563 122 H ASN 17 HN ASN 17 7.767 -7.521 -2.232 123 HA ASN 17 HA ASN 17 5.610 -5.930 -1.722 124 1HB ASN 17 HB2 ASN 17 7.588 -7.050 0.273 125 2HB ASN 17 HB1 ASN 17 5.989 -6.440 0.684 126 1HD2 ASN 17 HD21 ASN 17 4.594 -8.005 1.022 127 2HD2 ASN 17 HD22 ASN 17 4.540 -9.516 0.189 128 H ALA 18 HN ALA 18 8.983 -5.016 -1.289 129 HA ALA 18 HA ALA 18 8.758 -2.882 0.459 130 1HB ALA 18 HB1 ALA 18 10.903 -2.427 -0.049 131 2HB ALA 18 HB2 ALA 18 10.624 -2.488 -1.789 132 3HB ALA 18 HB3 ALA 18 10.807 -3.983 -0.871 133 H SER 19 HN SER 19 8.066 -2.918 -3.018 134 HA SER 19 HA SER 19 8.000 -0.220 -3.570 135 1HB SER 19 HB2 SER 19 6.371 -0.730 -5.339 136 2HB SER 19 HB1 SER 19 7.659 -1.936 -5.281 137 HG SER 19 HG SER 19 4.959 -2.171 -4.655 138 H CYS 20 HN CYS 20 5.413 -2.120 -2.010 139 HA CYS 20 HA CYS 20 3.660 0.170 -1.870 140 1HB CYS 20 HB2 CYS 20 3.460 -2.598 -0.706 141 2HB CYS 20 HB1 CYS 20 2.238 -1.360 -0.461 142 H ASP 21 HN ASP 21 5.620 -1.682 0.460 143 HA ASP 21 HA ASP 21 4.847 -0.466 2.813 144 1HB ASP 21 HB2 ASP 21 6.425 -2.381 2.611 145 2HB ASP 21 HB1 ASP 21 7.674 -1.267 2.068 146 H ASP 22 HN ASP 22 7.738 0.499 0.948 147 HA ASP 22 HA ASP 22 8.315 2.927 2.185 148 1HB ASP 22 HB2 ASP 22 9.776 1.868 0.511 149 2HB ASP 22 HB1 ASP 22 8.584 2.168 -0.745 150 H HIS 23 HN HIS 23 6.442 2.354 -0.714 151 HA HIS 23 HA HIS 23 5.478 4.838 -1.340 152 1HB HIS 23 HB2 HIS 23 5.147 2.958 -2.768 153 2HB HIS 23 HB1 HIS 23 4.274 2.083 -1.540 154 HD1 HIS 23 HD1 HIS 23 3.525 5.593 -2.733 155 HD2 HIS 23 HD2 HIS 23 1.939 1.781 -2.853 156 HE1 HIS 23 HE1 HIS 23 1.192 5.862 -3.648 157 HE2 HIS 23 HE2 HIS 23 0.203 3.549 -3.587 158 H CYS 24 HN CYS 24 3.730 2.443 0.646 159 HA CYS 24 HA CYS 24 1.660 4.139 1.439 160 1HB CYS 24 HB2 CYS 24 2.886 1.715 2.710 161 2HB CYS 24 HB1 CYS 24 1.623 2.614 3.542 162 H LYS 25 HN LYS 25 4.733 3.476 3.152 163 HA LYS 25 HA LYS 25 4.313 5.122 5.361 164 1HB LYS 25 HB2 LYS 25 6.894 4.415 3.963 165 2HB LYS 25 HB1 LYS 25 6.816 5.231 5.519 166 1HG LYS 25 HG2 LYS 25 5.773 3.327 6.537 167 2HG LYS 25 HG1 LYS 25 5.613 2.524 4.974 168 1HD LYS 25 HD2 LYS 25 8.037 2.372 4.778 169 2HD LYS 25 HD1 LYS 25 8.231 3.241 6.304 170 1HE LYS 25 HE2 LYS 25 7.293 1.462 7.545 171 2HE LYS 25 HE1 LYS 25 6.691 0.669 6.091 172 1HZ LYS 25 HZ1 LYS 25 9.587 1.059 6.618 173 2HZ LYS 25 HZ2 LYS 25 8.855 0.047 5.445 174 3HZ LYS 25 HZ3 LYS 25 8.738 -0.330 7.100 175 H ASN 26 HN ASN 26 5.796 5.972 2.253 176 HA ASN 26 HA ASN 26 6.278 8.696 3.028 177 1HB ASN 26 HB2 ASN 26 6.556 7.192 0.439 178 2HB ASN 26 HB1 ASN 26 6.913 8.897 0.566 179 1HD2 ASN 26 HD21 ASN 26 8.257 6.077 0.451 180 2HD2 ASN 26 HD22 ASN 26 9.682 6.377 1.371 181 H LYS 27 HN LYS 27 3.843 7.096 0.990 182 HA LYS 27 HA LYS 27 2.669 9.598 0.166 183 1HB LYS 27 HB2 LYS 27 1.648 6.762 -0.013 184 2HB LYS 27 HB1 LYS 27 0.842 8.149 -0.729 185 1HG LYS 27 HG2 LYS 27 3.625 7.240 -1.417 186 2HG LYS 27 HG1 LYS 27 2.170 6.823 -2.322 187 1HD LYS 27 HD2 LYS 27 1.779 9.292 -2.629 188 2HD LYS 27 HD1 LYS 27 3.384 9.553 -1.943 189 1HE LYS 27 HE2 LYS 27 4.411 8.289 -3.714 190 2HE LYS 27 HE1 LYS 27 2.835 7.823 -4.348 191 1HZ LYS 27 HZ1 LYS 27 4.153 9.797 -5.400 192 2HZ LYS 27 HZ2 LYS 27 3.466 10.679 -4.129 193 3HZ LYS 27 HZ3 LYS 27 2.461 9.879 -5.241 194 H ALA 28 HN ALA 28 1.440 6.939 2.211 195 HA ALA 28 HA ALA 28 -0.159 8.930 3.676 196 1HB ALA 28 HB1 ALA 28 -0.933 6.164 2.777 197 2HB ALA 28 HB2 ALA 28 -1.729 7.698 2.422 198 3HB ALA 28 HB3 ALA 28 -1.798 7.025 4.051 199 H HIS 29 HN HIS 29 1.594 9.083 5.070 200 HA HIS 29 HA HIS 29 3.183 7.569 6.452 201 1HB HIS 29 HB2 HIS 29 2.884 9.980 6.815 202 2HB HIS 29 HB1 HIS 29 1.427 9.655 7.753 203 HD1 HIS 29 HD1 HIS 29 5.079 8.574 7.900 204 HD2 HIS 29 HD2 HIS 29 1.947 9.679 10.397 205 HE1 HIS 29 HE1 HIS 29 6.033 8.544 10.231 206 HE2 HIS 29 HE2 HIS 29 4.129 9.258 11.723 207 H LEU 30 HN LEU 30 2.086 5.493 6.383 208 HA LEU 30 HA LEU 30 0.617 4.950 8.886 209 1HB LEU 30 HB2 LEU 30 0.203 3.924 6.132 210 2HB LEU 30 HB1 LEU 30 -0.025 2.781 7.443 211 HG LEU 30 HG LEU 30 -2.142 3.770 6.768 212 1HD1 LEU 30 HD11 LEU 30 -1.037 3.961 9.441 213 2HD1 LEU 30 HD12 LEU 30 -2.605 3.365 8.902 214 3HD1 LEU 30 HD13 LEU 30 -2.364 5.091 9.179 215 1HD2 LEU 30 HD21 LEU 30 -1.514 5.872 5.890 216 2HD2 LEU 30 HD22 LEU 30 -0.789 6.374 7.416 217 3HD2 LEU 30 HD23 LEU 30 -2.537 6.196 7.288 218 H ILE 31 HN ILE 31 0.815 2.276 9.157 219 HA ILE 31 HA ILE 31 3.542 1.973 9.885 220 HB ILE 31 HB ILE 31 2.892 -0.248 10.727 221 1HG1 ILE 31 HG12 ILE 31 0.130 0.566 9.814 222 2HG1 ILE 31 HG11 ILE 31 1.105 -0.741 9.143 223 1HG2 ILE 31 HG21 ILE 31 1.484 0.621 12.540 224 2HG2 ILE 31 HG22 ILE 31 1.185 2.076 11.590 225 3HG2 ILE 31 HG23 ILE 31 2.817 1.708 12.150 226 1HD1 ILE 31 HD11 ILE 31 -0.375 -0.591 11.712 227 2HD1 ILE 31 HD12 ILE 31 1.082 -1.582 11.636 228 3HD1 ILE 31 HD13 ILE 31 -0.266 -1.910 10.547 229 H SER 32 HN SER 32 1.532 0.242 7.467 230 HA SER 32 HA SER 32 3.895 -0.167 5.866 231 1HB SER 32 HB2 SER 32 3.918 -2.579 5.853 232 2HB SER 32 HB1 SER 32 4.040 -2.028 7.522 233 HG SER 32 HG SER 32 1.980 -2.651 7.904 234 H GLY 33 HN GLY 33 3.223 -1.968 4.050 235 1HA GLY 33 HA2 GLY 33 0.507 -1.927 3.160 236 2HA GLY 33 HA1 GLY 33 1.464 -0.720 2.307 237 H THR 34 HN THR 34 0.159 -3.379 1.516 238 HA THR 34 HA THR 34 2.568 -4.546 0.262 239 HB THR 34 HB THR 34 0.140 -5.950 1.372 240 HG1 THR 34 HG1 THR 34 1.480 -6.026 2.985 241 1HG2 THR 34 HG21 THR 34 0.664 -7.051 -0.716 242 2HG2 THR 34 HG22 THR 34 1.142 -8.055 0.654 243 3HG2 THR 34 HG23 THR 34 2.363 -7.162 -0.251 244 H CYS 35 HN CYS 35 2.254 -5.630 -1.788 245 HA CYS 35 HA CYS 35 0.549 -4.129 -3.545 246 1HB CYS 35 HB2 CYS 35 2.434 -6.428 -4.069 247 2HB CYS 35 HB1 CYS 35 1.531 -5.594 -5.333 248 H HIS 36 HN HIS 36 -1.263 -4.722 -4.587 249 HA HIS 36 HA HIS 36 -2.245 -7.482 -4.307 250 1HB HIS 36 HB2 HIS 36 -3.788 -4.970 -3.648 251 2HB HIS 36 HB1 HIS 36 -4.552 -6.534 -3.900 252 HD1 HIS 36 HD1 HIS 36 -3.403 -8.476 -2.225 253 HD2 HIS 36 HD2 HIS 36 -3.275 -4.502 -1.063 254 HE1 HIS 36 HE1 HIS 36 -3.048 -8.520 0.261 255 HE2 HIS 36 HE2 HIS 36 -3.238 -6.105 0.969 256 H ASN 37 HN ASN 37 -1.958 -7.989 -6.455 257 HA ASN 37 HA ASN 37 -2.303 -7.997 -8.721 258 1HB ASN 37 HB2 ASN 37 -4.880 -6.672 -7.842 259 2HB ASN 37 HB1 ASN 37 -4.592 -7.308 -9.456 260 1HD2 ASN 37 HD21 ASN 37 -3.007 -9.516 -7.757 261 2HD2 ASN 37 HD22 ASN 37 -4.287 -10.600 -7.375 262 H TRP 38 HN TRP 38 -0.489 -6.283 -8.496 263 HA TRP 38 HA TRP 38 0.529 -4.399 -9.247 264 1HB TRP 38 HB2 TRP 38 -1.856 -4.416 -11.081 265 2HB TRP 38 HB1 TRP 38 -0.583 -3.217 -11.209 266 HD1 TRP 38 HD1 TRP 38 0.913 -3.758 -13.139 267 HE1 TRP 38 HE1 TRP 38 1.889 -5.871 -14.236 268 HE3 TRP 38 HE3 TRP 38 -1.238 -7.325 -10.156 269 HZ2 TRP 38 HZ2 TRP 38 1.765 -8.652 -13.897 270 HZ3 TRP 38 HZ3 TRP 38 -0.755 -9.689 -10.620 271 HH2 TRP 38 HH2 TRP 38 0.715 -10.338 -12.455 272 H LYS 39 HN LYS 39 -1.204 -4.136 -6.935 273 HA LYS 39 HA LYS 39 -1.630 -1.240 -7.073 274 1HB LYS 39 HB2 LYS 39 -3.665 -3.183 -5.966 275 2HB LYS 39 HB1 LYS 39 -3.783 -1.428 -5.908 276 1HG LYS 39 HG2 LYS 39 -3.872 -1.345 -8.343 277 2HG LYS 39 HG1 LYS 39 -3.730 -3.102 -8.409 278 1HD LYS 39 HD2 LYS 39 -5.838 -3.296 -7.140 279 2HD LYS 39 HD1 LYS 39 -5.982 -1.538 -7.147 280 1HE LYS 39 HE2 LYS 39 -7.370 -2.479 -8.886 281 2HE LYS 39 HE1 LYS 39 -6.040 -1.569 -9.603 282 1HZ LYS 39 HZ1 LYS 39 -5.709 -3.408 -10.812 283 2HZ LYS 39 HZ2 LYS 39 -6.646 -4.379 -9.795 284 3HZ LYS 39 HZ3 LYS 39 -5.019 -4.085 -9.418 285 H CYS 40 HN CYS 40 -1.789 -0.239 -4.889 286 HA CYS 40 HA CYS 40 -0.399 -1.876 -2.885 287 1HB CYS 40 HB2 CYS 40 0.037 0.972 -3.690 288 2HB CYS 40 HB1 CYS 40 0.443 0.425 -2.067 289 H PHE 41 HN PHE 41 -1.471 -2.249 -1.151 290 HA PHE 41 HA PHE 41 -3.577 -0.366 -0.318 291 1HB PHE 41 HB2 PHE 41 -3.262 -3.321 0.276 292 2HB PHE 41 HB1 PHE 41 -4.503 -2.289 0.979 293 HD1 PHE 41 HD1 PHE 41 -3.283 -2.481 -2.554 294 HD2 PHE 41 HD2 PHE 41 -6.492 -3.089 0.172 295 HE1 PHE 41 HE1 PHE 41 -4.777 -2.994 -4.434 296 HE2 PHE 41 HE2 PHE 41 -7.992 -3.602 -1.704 297 HZ PHE 41 HZ PHE 41 -7.136 -3.554 -4.014 298 H CYS 42 HN CYS 42 -3.448 0.529 1.689 299 HA CYS 42 HA CYS 42 -1.023 -0.115 3.220 300 1HB CYS 42 HB2 CYS 42 -2.771 2.358 3.310 301 2HB CYS 42 HB1 CYS 42 -1.253 2.124 4.163 302 H THR 43 HN THR 43 -1.221 -0.142 5.582 303 HA THR 43 HA THR 43 -3.831 -1.214 6.395 304 HB THR 43 HB THR 43 -2.565 -2.331 8.184 305 HG1 THR 43 HG1 THR 43 -0.893 -0.778 8.373 306 1HG2 THR 43 HG21 THR 43 -0.871 -2.974 5.867 307 2HG2 THR 43 HG22 THR 43 -2.612 -3.153 5.646 308 3HG2 THR 43 HG23 THR 43 -1.791 -4.036 6.932 309 H GLN 44 HN GLN 44 -5.075 0.020 7.631 310 HA GLN 44 HA GLN 44 -3.777 1.933 9.446 311 1HB GLN 44 HB2 GLN 44 -4.627 3.167 7.558 312 2HB GLN 44 HB1 GLN 44 -6.195 2.385 7.694 313 1HG GLN 44 HG2 GLN 44 -6.601 3.497 9.805 314 2HG GLN 44 HG1 GLN 44 -4.996 4.226 9.755 315 1HE2 GLN 44 HE21 GLN 44 -5.115 6.296 9.279 316 2HE2 GLN 44 HE22 GLN 44 -6.197 7.021 8.147 317 H ASN 45 HN ASN 45 -4.440 1.951 11.477 318 HA ASN 45 HA ASN 45 -6.315 -0.020 12.387 319 1HB ASN 45 HB2 ASN 45 -4.851 2.162 13.893 320 2HB ASN 45 HB1 ASN 45 -5.704 0.807 14.622 321 1HD2 ASN 45 HD21 ASN 45 -4.347 -0.663 15.353 322 2HD2 ASN 45 HD22 ASN 45 -2.865 -1.136 14.603 323 H CYS 46 HN CYS 46 -8.439 0.262 12.749 324 HA CYS 46 HA CYS 46 -9.492 2.900 13.402 325 1HB CYS 46 HB2 CYS 46 -11.261 2.728 11.663 326 2HB CYS 46 HB1 CYS 46 -9.649 2.885 10.971
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