NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
608469 | 2nd3 | 26046 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLN 1 H1 GLN 1 -1.721 -12.271 -3.638 2 H2 GLN 1 H2 GLN 1 -2.790 -12.932 -2.510 3 H3 GLN 1 H3 GLN 1 -1.637 -11.807 -2.018 4 HA GLN 1 HA GLN 1 -3.830 -11.250 -3.905 5 HB2 GLN 1 HB2 GLN 1 -3.568 -10.598 -0.939 6 HB3 GLN 1 HB3 GLN 1 -4.825 -9.936 -1.984 7 HG2 GLN 1 HG2 GLN 1 -5.646 -12.257 -2.420 8 HG3 GLN 1 HG3 GLN 1 -4.414 -12.873 -1.316 9 HE21 GLN 1 HE21 GLN 1 -6.035 -13.798 0.010 10 HE22 GLN 1 HE22 GLN 1 -6.995 -12.819 1.067 11 H CYS 2 H CYS 2 -2.933 -9.857 -5.300 12 HA CYS 2 HA CYS 2 -1.077 -7.771 -4.512 13 HB2 CYS 2 HB2 CYS 2 -2.369 -8.403 -7.197 14 HB3 CYS 2 HB3 CYS 2 -1.147 -7.161 -6.939 15 H TYR 3 H TYR 3 -1.578 -5.600 -4.350 16 HA TYR 3 HA TYR 3 -4.427 -4.772 -4.524 17 HB2 TYR 3 HB2 TYR 3 -3.784 -5.537 -2.183 18 HB3 TYR 3 HB3 TYR 3 -2.595 -4.250 -2.128 19 HD1 TYR 3 HD2 TYR 3 -6.277 -4.692 -2.789 20 HD2 TYR 3 HD1 TYR 3 -3.239 -2.280 -0.988 21 HE1 TYR 3 HE2 TYR 3 -7.996 -3.228 -1.838 22 HE2 TYR 3 HE1 TYR 3 -4.958 -0.835 -0.026 23 HH TYR 3 HH TYR 3 -7.306 -0.206 -0.458 24 H THR 4 H THR 4 -4.477 -3.039 -5.824 25 HA THR 4 HA THR 4 -2.139 -1.303 -6.155 26 HB THR 4 HB THR 4 -4.760 -1.384 -7.710 27 HG1 THR 4 HG1 THR 4 -3.433 -2.507 -9.288 28 HG21 THR 4 HG21 THR 4 -2.120 -0.029 -8.394 29 HG22 THR 4 HG22 THR 4 -3.616 0.791 -7.935 30 HG23 THR 4 HG23 THR 4 -3.533 -0.119 -9.444 31 H PHE 5 H PHE 5 -2.075 0.765 -5.461 32 HA PHE 5 HA PHE 5 -4.375 2.374 -4.781 33 HB2 PHE 5 HB2 PHE 5 -3.476 2.821 -2.400 34 HB3 PHE 5 HB3 PHE 5 -4.273 1.277 -2.652 35 HD1 PHE 5 HD2 PHE 5 -2.910 -0.811 -2.814 36 HD2 PHE 5 HD1 PHE 5 -1.120 2.883 -1.702 37 HE1 PHE 5 HE2 PHE 5 -1.009 -2.018 -1.890 38 HE2 PHE 5 HE1 PHE 5 0.792 1.668 -0.763 39 HZ PHE 5 HZ PHE 5 0.850 -0.801 -0.848 40 H ARG 6 H ARG 6 -3.855 4.549 -4.954 41 HA ARG 6 HA ARG 6 -1.047 5.229 -5.649 42 HB2 ARG 6 HB2 ARG 6 -2.551 5.247 -7.632 43 HB3 ARG 6 HB3 ARG 6 -3.634 6.364 -6.808 44 HG2 ARG 6 HG2 ARG 6 -1.924 8.122 -6.852 45 HG3 ARG 6 HG3 ARG 6 -0.757 7.003 -7.555 46 HD2 ARG 6 HD2 ARG 6 -2.319 6.775 -9.546 47 HD3 ARG 6 HD3 ARG 6 -3.275 8.091 -8.855 48 HE ARG 6 HE ARG 6 -0.961 9.307 -8.939 49 HH11 ARG 6 HH11 ARG 6 -2.312 7.185 -11.411 50 HH12 ARG 6 HH12 ARG 6 -1.472 7.964 -12.714 51 HH21 ARG 6 HH21 ARG 6 0.165 10.297 -10.685 52 HH22 ARG 6 HH22 ARG 6 -0.083 9.715 -12.296 53 H SER 7 H SER 7 -0.154 6.704 -4.277 54 HA SER 7 HA SER 7 -1.873 8.169 -2.411 55 HB2 SER 7 HB2 SER 7 0.197 7.078 -1.558 56 HB3 SER 7 HB3 SER 7 1.169 8.134 -2.579 57 HG SER 7 HG SER 7 0.300 8.624 -0.146 58 H GLU 8 H GLU 8 -2.497 10.172 -2.711 59 HA GLU 8 HA GLU 8 -1.994 11.782 -4.961 60 HB2 GLU 8 HB2 GLU 8 -3.051 12.513 -2.198 61 HB3 GLU 8 HB3 GLU 8 -3.135 13.574 -3.604 62 HG2 GLU 8 HG2 GLU 8 -4.651 12.083 -4.736 63 HG3 GLU 8 HG3 GLU 8 -4.413 10.828 -3.521 64 H CYS 9 H CYS 9 -0.311 11.443 -1.953 65 HA CYS 9 HA CYS 9 0.956 14.037 -1.882 66 HB2 CYS 9 HB2 CYS 9 1.438 11.550 -0.210 67 HB3 CYS 9 HB3 CYS 9 1.976 13.183 0.171 68 H THR 10 H THR 10 1.606 11.930 -4.086 69 HA THR 10 HA THR 10 4.443 12.390 -4.321 70 HB THR 10 HB THR 10 4.470 10.457 -2.773 71 HG1 THR 10 HG1 THR 10 5.809 9.119 -4.030 72 HG21 THR 10 HG21 THR 10 2.968 8.940 -4.936 73 HG22 THR 10 HG22 THR 10 2.309 9.448 -3.380 74 HG23 THR 10 HG23 THR 10 3.614 8.266 -3.430 75 H ASN 11 H ASN 11 1.424 11.157 -5.469 76 HA ASN 11 HA ASN 11 0.431 10.987 -7.459 77 HB2 ASN 11 HB2 ASN 11 1.570 13.164 -7.979 78 HB3 ASN 11 HB3 ASN 11 2.913 12.275 -8.672 79 HD21 ASN 11 HD21 ASN 11 -0.559 12.880 -9.030 80 HD22 ASN 11 HD22 ASN 11 -0.592 12.669 -10.747 81 H LYS 12 H LYS 12 2.595 9.031 -6.416 82 HA LYS 12 HA LYS 12 3.043 7.411 -8.845 83 HB2 LYS 12 HB2 LYS 12 4.140 7.104 -6.013 84 HB3 LYS 12 HB3 LYS 12 4.541 6.058 -7.376 85 HG2 LYS 12 HG2 LYS 12 5.584 7.941 -8.546 86 HG3 LYS 12 HG3 LYS 12 5.149 9.028 -7.220 87 HD2 LYS 12 HD2 LYS 12 6.559 7.657 -5.680 88 HD3 LYS 12 HD3 LYS 12 7.040 6.641 -7.046 89 HE2 LYS 12 HE2 LYS 12 8.756 8.343 -6.500 90 HE3 LYS 12 HE3 LYS 12 8.101 8.582 -8.122 91 HZ1 LYS 12 HZ1 LYS 12 8.329 10.657 -6.811 92 HZ2 LYS 12 HZ2 LYS 12 7.181 10.075 -5.717 93 HZ3 LYS 12 HZ3 LYS 12 6.741 10.375 -7.319 94 H GLU 13 H GLU 13 2.229 5.342 -9.025 95 HA GLU 13 HA GLU 13 0.075 4.546 -7.170 96 HB2 GLU 13 HB2 GLU 13 -0.637 4.899 -9.523 97 HB3 GLU 13 HB3 GLU 13 0.530 3.691 -10.060 98 HG2 GLU 13 HG2 GLU 13 -0.673 1.964 -8.736 99 HG3 GLU 13 HG3 GLU 13 -1.853 3.178 -8.241 100 H PHE 14 H PHE 14 0.233 2.646 -6.112 101 HA PHE 14 HA PHE 14 2.720 1.069 -6.335 102 HB2 PHE 14 HB2 PHE 14 1.059 1.549 -3.821 103 HB3 PHE 14 HB3 PHE 14 2.655 0.809 -3.904 104 HD1 PHE 14 HD2 PHE 14 4.655 2.251 -4.499 105 HD2 PHE 14 HD1 PHE 14 0.804 3.938 -3.682 106 HE1 PHE 14 HE2 PHE 14 5.676 4.459 -4.174 107 HE2 PHE 14 HE1 PHE 14 1.840 6.140 -3.362 108 HZ PHE 14 HZ PHE 14 4.275 6.403 -3.611 109 H THR 15 H THR 15 2.530 -1.173 -6.108 110 HA THR 15 HA THR 15 -0.130 -2.407 -5.801 111 HB THR 15 HB THR 15 1.913 -3.209 -7.913 112 HG1 THR 15 HG1 THR 15 -0.311 -1.516 -7.976 113 HG21 THR 15 HG21 THR 15 -0.900 -4.236 -7.419 114 HG22 THR 15 HG22 THR 15 0.594 -5.137 -7.126 115 HG23 THR 15 HG23 THR 15 0.120 -4.694 -8.773 116 H VAL 16 H VAL 16 0.039 -3.778 -4.090 117 HA VAL 16 HA VAL 16 2.713 -4.883 -3.469 118 HB VAL 16 HB VAL 16 1.819 -3.056 -1.942 119 HG11 VAL 16 HG11 VAL 16 0.255 -3.624 -0.131 120 HG12 VAL 16 HG12 VAL 16 -0.036 -5.203 -0.863 121 HG13 VAL 16 HG13 VAL 16 -0.530 -3.738 -1.710 122 HG21 VAL 16 HG21 VAL 16 2.786 -4.060 0.058 123 HG22 VAL 16 HG22 VAL 16 3.688 -4.568 -1.369 124 HG23 VAL 16 HG23 VAL 16 2.548 -5.677 -0.608 125 H CYS 17 H CYS 17 2.840 -6.946 -3.767 126 HA CYS 17 HA CYS 17 0.496 -8.728 -3.693 127 HB2 CYS 17 HB2 CYS 17 3.234 -9.051 -4.996 128 HB3 CYS 17 HB3 CYS 17 1.937 -10.240 -5.074 129 H ARG 18 H ARG 18 0.292 -9.351 -1.618 130 HA ARG 18 HA ARG 18 2.562 -10.714 -0.276 131 HB2 ARG 18 HB2 ARG 18 0.583 -8.721 0.805 132 HB3 ARG 18 HB3 ARG 18 0.929 -10.086 1.853 133 HG2 ARG 18 HG2 ARG 18 2.291 -8.062 2.358 134 HG3 ARG 18 HG3 ARG 18 3.248 -9.499 2.016 135 HD2 ARG 18 HD2 ARG 18 3.872 -8.663 -0.147 136 HD3 ARG 18 HD3 ARG 18 2.702 -7.341 -0.039 137 HE ARG 18 HE ARG 18 4.305 -6.906 2.101 138 HH11 ARG 18 HH11 ARG 18 5.080 -7.396 -1.324 139 HH12 ARG 18 HH12 ARG 18 6.496 -6.396 -1.257 140 HH21 ARG 18 HH21 ARG 18 6.068 -5.493 2.099 141 HH22 ARG 18 HH22 ARG 18 7.047 -5.322 0.679 142 HA PRO 19 HA PRO 19 0.037 -14.431 -0.432 143 HB2 PRO 19 HB2 PRO 19 1.296 -15.264 2.162 144 HB3 PRO 19 HB3 PRO 19 1.352 -16.061 0.574 145 HG2 PRO 19 HG2 PRO 19 3.518 -14.827 1.523 146 HG3 PRO 19 HG3 PRO 19 3.096 -14.725 -0.203 147 HD2 PRO 19 HD2 PRO 19 2.614 -12.677 1.969 148 HD3 PRO 19 HD3 PRO 19 3.273 -12.444 0.331 149 H ASN 20 H ASN 20 0.056 -12.427 2.430 150 HA ASN 20 HA ASN 20 -2.566 -13.491 3.330 151 HB2 ASN 20 HB2 ASN 20 -0.475 -11.957 4.943 152 HB3 ASN 20 HB3 ASN 20 -2.049 -12.452 5.547 153 HD21 ASN 20 HD21 ASN 20 0.616 -13.124 6.499 154 HD22 ASN 20 HD22 ASN 20 0.675 -14.847 6.514 155 HA PRO 21 HA PRO 21 -4.172 -9.262 2.480 156 HB2 PRO 21 HB2 PRO 21 -6.571 -9.543 3.803 157 HB3 PRO 21 HB3 PRO 21 -6.290 -10.215 2.183 158 HG2 PRO 21 HG2 PRO 21 -6.160 -11.609 4.844 159 HG3 PRO 21 HG3 PRO 21 -6.922 -12.150 3.329 160 HD2 PRO 21 HD2 PRO 21 -4.480 -13.056 4.093 161 HD3 PRO 21 HD3 PRO 21 -4.889 -12.811 2.381 162 H GLU 22 H GLU 22 -3.807 -10.923 5.525 163 HA GLU 22 HA GLU 22 -3.981 -8.895 7.433 164 HB2 GLU 22 HB2 GLU 22 -3.779 -11.303 7.957 165 HB3 GLU 22 HB3 GLU 22 -2.134 -11.320 7.337 166 HG2 GLU 22 HG2 GLU 22 -1.459 -9.758 9.157 167 HG3 GLU 22 HG3 GLU 22 -3.112 -9.801 9.776 168 H GLU 23 H GLU 23 -1.324 -9.837 5.313 169 HA GLU 23 HA GLU 23 0.570 -7.960 6.397 170 HB2 GLU 23 HB2 GLU 23 0.603 -9.672 3.877 171 HB3 GLU 23 HB3 GLU 23 1.948 -8.653 4.389 172 HG2 GLU 23 HG2 GLU 23 0.818 -11.017 5.916 173 HG3 GLU 23 HG3 GLU 23 2.315 -10.993 4.984 174 H VAL 24 H VAL 24 -1.559 -8.130 3.547 175 HA VAL 24 HA VAL 24 -0.616 -5.943 2.101 176 HB VAL 24 HB VAL 24 -3.424 -7.129 2.190 177 HG11 VAL 24 HG11 VAL 24 -2.314 -5.091 0.223 178 HG12 VAL 24 HG12 VAL 24 -3.637 -4.843 1.368 179 HG13 VAL 24 HG13 VAL 24 -3.840 -5.964 0.022 180 HG21 VAL 24 HG21 VAL 24 -2.807 -8.202 0.054 181 HG22 VAL 24 HG22 VAL 24 -1.684 -8.666 1.335 182 HG23 VAL 24 HG23 VAL 24 -1.201 -7.463 0.137 183 H GLU 25 H GLU 25 -3.169 -5.996 4.630 184 HA GLU 25 HA GLU 25 -4.052 -3.340 4.352 185 HB2 GLU 25 HB2 GLU 25 -4.906 -3.577 6.733 186 HB3 GLU 25 HB3 GLU 25 -5.431 -4.838 5.623 187 HG2 GLU 25 HG2 GLU 25 -3.822 -6.399 6.539 188 HG3 GLU 25 HG3 GLU 25 -3.112 -5.137 7.540 189 H LYS 26 H LYS 26 -1.313 -4.637 6.204 190 HA LYS 26 HA LYS 26 -0.587 -2.212 7.543 191 HB2 LYS 26 HB2 LYS 26 0.899 -4.781 6.914 192 HB3 LYS 26 HB3 LYS 26 1.776 -3.406 7.569 193 HG2 LYS 26 HG2 LYS 26 1.208 -4.914 9.366 194 HG3 LYS 26 HG3 LYS 26 0.306 -3.411 9.554 195 HD2 LYS 26 HD2 LYS 26 -1.716 -4.503 8.639 196 HD3 LYS 26 HD3 LYS 26 -0.805 -5.993 8.411 197 HE2 LYS 26 HE2 LYS 26 -0.411 -5.996 10.934 198 HE3 LYS 26 HE3 LYS 26 -1.597 -4.689 11.027 199 HZ1 LYS 26 HZ1 LYS 26 -3.257 -6.113 10.089 200 HZ2 LYS 26 HZ2 LYS 26 -2.554 -6.919 11.398 201 HZ3 LYS 26 HZ3 LYS 26 -2.137 -7.349 9.818 202 H GLU 27 H GLU 27 0.615 -3.813 4.616 203 HA GLU 27 HA GLU 27 2.495 -1.918 3.767 204 HB2 GLU 27 HB2 GLU 27 0.888 -3.882 2.079 205 HB3 GLU 27 HB3 GLU 27 2.371 -3.074 1.575 206 HG2 GLU 27 HG2 GLU 27 2.104 -5.091 3.818 207 HG3 GLU 27 HG3 GLU 27 2.764 -5.405 2.214 208 H ALA 28 H ALA 28 -0.965 -2.020 3.422 209 HA ALA 28 HA ALA 28 -1.247 -0.220 1.219 210 HB1 ALA 28 HB1 ALA 28 -3.657 -0.268 1.759 211 HB2 ALA 28 HB2 ALA 28 -3.311 -1.090 3.285 212 HB3 ALA 28 HB3 ALA 28 -2.980 -1.899 1.753 213 H ARG 29 H ARG 29 -1.751 0.110 4.774 214 HA ARG 29 HA ARG 29 -2.310 2.913 4.566 215 HB2 ARG 29 HB2 ARG 29 -2.370 3.001 6.991 216 HB3 ARG 29 HB3 ARG 29 -3.290 1.621 6.413 217 HG2 ARG 29 HG2 ARG 29 -1.558 0.084 7.149 218 HG3 ARG 29 HG3 ARG 29 -0.473 1.419 7.544 219 HD2 ARG 29 HD2 ARG 29 -3.127 0.850 8.916 220 HD3 ARG 29 HD3 ARG 29 -1.545 0.432 9.565 221 HE ARG 29 HE ARG 29 -1.267 3.059 9.198 222 HH11 ARG 29 HH11 ARG 29 -3.890 1.278 10.781 223 HH12 ARG 29 HH12 ARG 29 -4.276 2.586 11.853 224 HH21 ARG 29 HH21 ARG 29 -1.812 4.746 10.612 225 HH22 ARG 29 HH22 ARG 29 -3.101 4.550 11.759 226 H ARG 30 H ARG 30 0.547 1.057 5.596 227 HA ARG 30 HA ARG 30 2.050 3.158 6.657 228 HB2 ARG 30 HB2 ARG 30 2.965 0.514 5.465 229 HB3 ARG 30 HB3 ARG 30 4.041 1.613 6.325 230 HG2 ARG 30 HG2 ARG 30 1.595 0.270 7.520 231 HG3 ARG 30 HG3 ARG 30 3.259 -0.279 7.719 232 HD2 ARG 30 HD2 ARG 30 3.838 1.745 8.936 233 HD3 ARG 30 HD3 ARG 30 2.240 2.439 8.634 234 HE ARG 30 HE ARG 30 1.462 0.313 9.890 235 HH11 ARG 30 HH11 ARG 30 4.353 2.147 10.714 236 HH12 ARG 30 HH12 ARG 30 4.291 1.711 12.391 237 HH21 ARG 30 HH21 ARG 30 1.373 -0.225 12.080 238 HH22 ARG 30 HH22 ARG 30 2.589 0.357 13.167 239 H THR 31 H THR 31 2.011 1.833 3.314 240 HA THR 31 HA THR 31 4.046 3.479 2.249 241 HB THR 31 HB THR 31 1.600 2.350 0.826 242 HG1 THR 31 HG1 THR 31 2.673 0.539 0.765 243 HG21 THR 31 HG21 THR 31 2.668 4.141 -0.534 244 HG22 THR 31 HG22 THR 31 2.890 2.551 -1.265 245 HG23 THR 31 HG23 THR 31 4.221 3.310 -0.393 246 H LYS 32 H LYS 32 0.507 3.960 2.294 247 HA LYS 32 HA LYS 32 0.429 6.372 0.833 248 HB2 LYS 32 HB2 LYS 32 -1.577 5.204 2.811 249 HB3 LYS 32 HB3 LYS 32 -1.934 6.525 1.702 250 HG2 LYS 32 HG2 LYS 32 -1.065 3.760 0.802 251 HG3 LYS 32 HG3 LYS 32 -2.752 4.223 1.002 252 HD2 LYS 32 HD2 LYS 32 -0.985 5.896 -0.791 253 HD3 LYS 32 HD3 LYS 32 -1.559 4.336 -1.371 254 HE2 LYS 32 HE2 LYS 32 -3.043 6.113 -2.115 255 HE3 LYS 32 HE3 LYS 32 -3.887 5.047 -0.997 256 HZ1 LYS 32 HZ1 LYS 32 -3.564 6.691 0.751 257 HZ2 LYS 32 HZ2 LYS 32 -4.367 7.380 -0.565 258 HZ3 LYS 32 HZ3 LYS 32 -2.730 7.699 -0.318 259 H GLU 33 H GLU 33 0.640 5.739 4.305 260 HA GLU 33 HA GLU 33 0.333 8.393 5.289 261 HB2 GLU 33 HB2 GLU 33 1.656 5.946 6.547 262 HB3 GLU 33 HB3 GLU 33 1.320 7.450 7.407 263 HG2 GLU 33 HG2 GLU 33 -1.080 7.120 7.137 264 HG3 GLU 33 HG3 GLU 33 -0.797 5.684 6.151 265 H GLU 34 H GLU 34 3.135 6.343 4.595 266 HA GLU 34 HA GLU 34 5.177 8.101 5.413 267 HB2 GLU 34 HB2 GLU 34 5.423 5.643 5.099 268 HB3 GLU 34 HB3 GLU 34 5.300 5.861 3.358 269 HG2 GLU 34 HG2 GLU 34 7.410 7.177 3.380 270 HG3 GLU 34 HG3 GLU 34 7.521 6.949 5.126 271 H GLU 35 H GLU 35 3.386 7.864 2.403 272 HA GLU 35 HA GLU 35 5.126 9.654 0.947 273 HB2 GLU 35 HB2 GLU 35 2.266 8.806 0.342 274 HB3 GLU 35 HB3 GLU 35 3.344 9.650 -0.768 275 HG2 GLU 35 HG2 GLU 35 3.682 6.824 0.291 276 HG3 GLU 35 HG3 GLU 35 3.225 7.288 -1.341 277 H CYS 36 H CYS 36 2.180 9.943 2.886 278 HA CYS 36 HA CYS 36 1.995 12.850 2.472 279 HB2 CYS 36 HB2 CYS 36 0.247 10.951 4.090 280 HB3 CYS 36 HB3 CYS 36 -0.103 12.645 3.766 281 H ARG 37 H ARG 37 4.243 11.507 3.975 282 HA ARG 37 HA ARG 37 4.417 13.389 6.177 283 HB2 ARG 37 HB2 ARG 37 3.370 11.616 7.423 284 HB3 ARG 37 HB3 ARG 37 4.314 10.374 6.624 285 HG2 ARG 37 HG2 ARG 37 4.924 10.697 8.991 286 HG3 ARG 37 HG3 ARG 37 6.280 10.937 7.900 287 HD2 ARG 37 HD2 ARG 37 4.738 13.367 8.787 288 HD3 ARG 37 HD3 ARG 37 5.799 12.583 9.958 289 HE ARG 37 HE ARG 37 7.348 12.864 7.714 290 HH11 ARG 37 HH11 ARG 37 5.606 15.147 9.764 291 HH12 ARG 37 HH12 ARG 37 6.707 16.448 9.441 292 HH21 ARG 37 HH21 ARG 37 8.778 14.577 7.307 293 HH22 ARG 37 HH22 ARG 37 8.499 16.122 8.052 294 H LYS 38 H LYS 38 6.126 10.348 5.359 295 HA LYS 38 HA LYS 38 8.209 9.836 4.734 296 HB2 LYS 38 HB2 LYS 38 7.757 11.297 2.772 297 HB3 LYS 38 HB3 LYS 38 8.382 12.678 3.661 298 HG2 LYS 38 HG2 LYS 38 10.073 11.958 2.116 299 HG3 LYS 38 HG3 LYS 38 10.616 11.579 3.746 300 HD2 LYS 38 HD2 LYS 38 11.208 9.705 2.420 301 HD3 LYS 38 HD3 LYS 38 9.796 9.195 3.339 302 HE2 LYS 38 HE2 LYS 38 9.636 10.198 0.475 303 HE3 LYS 38 HE3 LYS 38 9.861 8.502 0.890 304 HZ1 LYS 38 HZ1 LYS 38 7.564 8.887 0.486 305 HZ2 LYS 38 HZ2 LYS 38 7.510 10.192 1.555 306 HZ3 LYS 38 HZ3 LYS 38 7.745 8.627 2.145 Start of MODEL 2 1 H1 GLN 1 H1 GLN 1 -4.903 -9.278 -6.467 2 H2 GLN 1 H2 GLN 1 -4.706 -10.882 -6.956 3 H3 GLN 1 H3 GLN 1 -3.561 -9.721 -7.381 4 HA GLN 1 HA GLN 1 -4.196 -10.564 -4.641 5 HB2 GLN 1 HB2 GLN 1 -1.992 -11.715 -4.662 6 HB3 GLN 1 HB3 GLN 1 -3.114 -12.387 -5.838 7 HG2 GLN 1 HG2 GLN 1 -1.954 -11.188 -7.652 8 HG3 GLN 1 HG3 GLN 1 -0.853 -10.468 -6.480 9 HE21 GLN 1 HE21 GLN 1 -1.720 -13.366 -8.188 10 HE22 GLN 1 HE22 GLN 1 -0.298 -14.264 -7.799 11 H CYS 2 H CYS 2 -1.982 -8.717 -6.767 12 HA CYS 2 HA CYS 2 -0.717 -7.324 -4.591 13 HB2 CYS 2 HB2 CYS 2 -0.601 -6.836 -7.595 14 HB3 CYS 2 HB3 CYS 2 0.435 -6.056 -6.397 15 H TYR 3 H TYR 3 -2.061 -6.073 -3.438 16 HA TYR 3 HA TYR 3 -4.400 -4.804 -4.335 17 HB2 TYR 3 HB2 TYR 3 -3.908 -5.403 -1.952 18 HB3 TYR 3 HB3 TYR 3 -2.712 -4.124 -1.886 19 HD1 TYR 3 HD2 TYR 3 -6.371 -4.573 -2.721 20 HD2 TYR 3 HD1 TYR 3 -3.402 -2.085 -0.913 21 HE1 TYR 3 HE2 TYR 3 -8.114 -2.997 -1.997 22 HE2 TYR 3 HE1 TYR 3 -5.143 -0.524 -0.195 23 HH TYR 3 HH TYR 3 -7.403 0.123 -0.860 24 H THR 4 H THR 4 -4.596 -3.067 -5.596 25 HA THR 4 HA THR 4 -2.276 -1.368 -6.182 26 HB THR 4 HB THR 4 -4.901 -1.635 -7.727 27 HG1 THR 4 HG1 THR 4 -3.375 -3.562 -7.450 28 HG21 THR 4 HG21 THR 4 -2.188 -0.482 -8.535 29 HG22 THR 4 HG22 THR 4 -3.645 0.459 -8.208 30 HG23 THR 4 HG23 THR 4 -3.597 -0.630 -9.592 31 H PHE 5 H PHE 5 -2.221 0.542 -5.167 32 HA PHE 5 HA PHE 5 -4.636 2.206 -4.887 33 HB2 PHE 5 HB2 PHE 5 -3.646 2.968 -2.607 34 HB3 PHE 5 HB3 PHE 5 -4.431 1.398 -2.657 35 HD1 PHE 5 HD2 PHE 5 -3.098 -0.674 -2.585 36 HD2 PHE 5 HD1 PHE 5 -1.246 3.124 -2.096 37 HE1 PHE 5 HE2 PHE 5 -1.156 -1.769 -1.595 38 HE2 PHE 5 HE1 PHE 5 0.722 2.024 -1.096 39 HZ PHE 5 HZ PHE 5 0.765 -0.430 -0.835 40 H ARG 6 H ARG 6 -4.276 4.303 -5.436 41 HA ARG 6 HA ARG 6 -1.533 5.074 -6.203 42 HB2 ARG 6 HB2 ARG 6 -3.158 4.882 -8.097 43 HB3 ARG 6 HB3 ARG 6 -4.162 6.125 -7.351 44 HG2 ARG 6 HG2 ARG 6 -2.453 7.806 -7.654 45 HG3 ARG 6 HG3 ARG 6 -1.259 6.591 -8.100 46 HD2 ARG 6 HD2 ARG 6 -2.628 6.098 -10.156 47 HD3 ARG 6 HD3 ARG 6 -3.653 7.476 -9.738 48 HE ARG 6 HE ARG 6 -1.444 8.777 -9.809 49 HH11 ARG 6 HH11 ARG 6 -2.162 6.071 -11.966 50 HH12 ARG 6 HH12 ARG 6 -1.114 6.654 -13.216 51 HH21 ARG 6 HH21 ARG 6 -0.025 9.445 -11.400 52 HH22 ARG 6 HH22 ARG 6 0.094 8.562 -12.890 53 H SER 7 H SER 7 -0.743 7.010 -5.607 54 HA SER 7 HA SER 7 -2.041 8.349 -3.353 55 HB2 SER 7 HB2 SER 7 0.288 7.502 -3.124 56 HB3 SER 7 HB3 SER 7 0.798 8.570 -4.434 57 HG SER 7 HG SER 7 0.833 9.185 -1.985 58 H GLU 8 H GLU 8 -2.522 10.501 -3.381 59 HA GLU 8 HA GLU 8 -2.204 12.102 -5.814 60 HB2 GLU 8 HB2 GLU 8 -3.455 12.953 -3.150 61 HB3 GLU 8 HB3 GLU 8 -3.600 13.774 -4.695 62 HG2 GLU 8 HG2 GLU 8 -5.680 12.751 -4.514 63 HG3 GLU 8 HG3 GLU 8 -4.796 11.577 -5.482 64 H CYS 9 H CYS 9 -0.639 11.413 -2.886 65 HA CYS 9 HA CYS 9 0.591 13.923 -2.332 66 HB2 CYS 9 HB2 CYS 9 1.404 11.146 -1.376 67 HB3 CYS 9 HB3 CYS 9 1.797 12.690 -0.617 68 H THR 10 H THR 10 1.800 10.875 -3.779 69 HA THR 10 HA THR 10 4.232 12.245 -4.777 70 HB THR 10 HB THR 10 5.151 9.933 -5.116 71 HG1 THR 10 HG1 THR 10 3.608 8.463 -3.594 72 HG21 THR 10 HG21 THR 10 5.647 11.107 -2.972 73 HG22 THR 10 HG22 THR 10 5.539 9.359 -2.750 74 HG23 THR 10 HG23 THR 10 4.194 10.390 -2.261 75 H ASN 11 H ASN 11 1.150 11.130 -5.650 76 HA ASN 11 HA ASN 11 0.021 11.134 -7.594 77 HB2 ASN 11 HB2 ASN 11 1.203 13.104 -8.311 78 HB3 ASN 11 HB3 ASN 11 2.647 12.182 -8.670 79 HD21 ASN 11 HD21 ASN 11 -0.573 13.028 -9.783 80 HD22 ASN 11 HD22 ASN 11 -0.332 12.552 -11.427 81 H LYS 12 H LYS 12 2.486 8.987 -6.891 82 HA LYS 12 HA LYS 12 2.423 7.442 -9.376 83 HB2 LYS 12 HB2 LYS 12 3.943 7.067 -6.755 84 HB3 LYS 12 HB3 LYS 12 4.087 5.984 -8.144 85 HG2 LYS 12 HG2 LYS 12 4.890 7.909 -9.517 86 HG3 LYS 12 HG3 LYS 12 4.830 8.928 -8.072 87 HD2 LYS 12 HD2 LYS 12 6.500 7.482 -6.968 88 HD3 LYS 12 HD3 LYS 12 6.537 6.420 -8.379 89 HE2 LYS 12 HE2 LYS 12 7.415 8.289 -9.742 90 HE3 LYS 12 HE3 LYS 12 7.391 9.334 -8.322 91 HZ1 LYS 12 HZ1 LYS 12 9.593 8.472 -8.692 92 HZ2 LYS 12 HZ2 LYS 12 9.030 6.879 -8.660 93 HZ3 LYS 12 HZ3 LYS 12 8.976 7.827 -7.262 94 H GLU 13 H GLU 13 1.703 5.340 -9.505 95 HA GLU 13 HA GLU 13 -0.278 4.440 -7.527 96 HB2 GLU 13 HB2 GLU 13 -0.921 2.791 -9.315 97 HB3 GLU 13 HB3 GLU 13 -1.072 4.469 -9.820 98 HG2 GLU 13 HG2 GLU 13 1.150 4.229 -10.995 99 HG3 GLU 13 HG3 GLU 13 1.099 2.508 -10.614 100 H PHE 14 H PHE 14 0.069 2.710 -6.260 101 HA PHE 14 HA PHE 14 2.646 1.268 -6.352 102 HB2 PHE 14 HB2 PHE 14 0.960 1.935 -3.887 103 HB3 PHE 14 HB3 PHE 14 2.537 1.158 -3.890 104 HD1 PHE 14 HD2 PHE 14 4.576 2.503 -4.567 105 HD2 PHE 14 HD1 PHE 14 0.757 4.320 -3.897 106 HE1 PHE 14 HE2 PHE 14 5.656 4.685 -4.276 107 HE2 PHE 14 HE1 PHE 14 1.857 6.495 -3.603 108 HZ PHE 14 HZ PHE 14 4.304 6.685 -3.782 109 H THR 15 H THR 15 2.534 -0.935 -6.269 110 HA THR 15 HA THR 15 -0.038 -2.266 -5.598 111 HB THR 15 HB THR 15 0.752 -4.149 -7.116 112 HG1 THR 15 HG1 THR 15 2.999 -3.116 -7.176 113 HG21 THR 15 HG21 THR 15 -1.001 -2.619 -7.887 114 HG22 THR 15 HG22 THR 15 0.052 -3.053 -9.235 115 HG23 THR 15 HG23 THR 15 0.214 -1.474 -8.461 116 H VAL 16 H VAL 16 0.177 -3.359 -3.729 117 HA VAL 16 HA VAL 16 2.866 -4.217 -2.892 118 HB VAL 16 HB VAL 16 1.586 -2.675 -1.401 119 HG11 VAL 16 HG11 VAL 16 -0.224 -3.503 0.039 120 HG12 VAL 16 HG12 VAL 16 -0.231 -5.034 -0.838 121 HG13 VAL 16 HG13 VAL 16 -0.693 -3.545 -1.665 122 HG21 VAL 16 HG21 VAL 16 3.433 -4.066 -0.549 123 HG22 VAL 16 HG22 VAL 16 2.289 -5.349 -0.153 124 HG23 VAL 16 HG23 VAL 16 2.204 -3.804 0.683 125 H CYS 17 H CYS 17 3.400 -6.237 -3.173 126 HA CYS 17 HA CYS 17 1.353 -8.275 -3.733 127 HB2 CYS 17 HB2 CYS 17 4.307 -8.215 -4.453 128 HB3 CYS 17 HB3 CYS 17 3.172 -9.495 -4.892 129 H ARG 18 H ARG 18 0.875 -8.613 -1.545 130 HA ARG 18 HA ARG 18 2.813 -10.274 -0.028 131 HB2 ARG 18 HB2 ARG 18 0.574 -8.438 0.837 132 HB3 ARG 18 HB3 ARG 18 0.876 -9.857 1.823 133 HG2 ARG 18 HG2 ARG 18 2.005 -7.770 2.630 134 HG3 ARG 18 HG3 ARG 18 3.076 -9.144 2.383 135 HD2 ARG 18 HD2 ARG 18 3.874 -8.181 0.282 136 HD3 ARG 18 HD3 ARG 18 2.742 -6.833 0.448 137 HE ARG 18 HE ARG 18 4.204 -6.732 2.744 138 HH11 ARG 18 HH11 ARG 18 5.122 -6.764 -0.664 139 HH12 ARG 18 HH12 ARG 18 6.556 -5.833 -0.394 140 HH21 ARG 18 HH21 ARG 18 6.049 -5.473 3.038 141 HH22 ARG 18 HH22 ARG 18 7.082 -5.104 1.692 142 HA PRO 19 HA PRO 19 0.410 -13.834 -1.220 143 HB2 PRO 19 HB2 PRO 19 0.932 -15.607 0.826 144 HB3 PRO 19 HB3 PRO 19 2.142 -15.163 -0.398 145 HG2 PRO 19 HG2 PRO 19 1.826 -14.098 2.395 146 HG3 PRO 19 HG3 PRO 19 3.305 -14.590 1.538 147 HD2 PRO 19 HD2 PRO 19 2.590 -11.974 1.770 148 HD3 PRO 19 HD3 PRO 19 3.442 -12.591 0.339 149 H ASN 20 H ASN 20 0.002 -12.668 2.074 150 HA ASN 20 HA ASN 20 -2.859 -13.396 2.019 151 HB2 ASN 20 HB2 ASN 20 -2.784 -13.295 4.518 152 HB3 ASN 20 HB3 ASN 20 -1.770 -14.561 3.845 153 HD21 ASN 20 HD21 ASN 20 -1.652 -13.211 6.467 154 HD22 ASN 20 HD22 ASN 20 -0.047 -12.581 6.589 155 HA PRO 21 HA PRO 21 -3.703 -8.901 1.803 156 HB2 PRO 21 HB2 PRO 21 -6.317 -9.978 2.878 157 HB3 PRO 21 HB3 PRO 21 -6.028 -8.807 1.567 158 HG2 PRO 21 HG2 PRO 21 -6.676 -11.295 0.949 159 HG3 PRO 21 HG3 PRO 21 -5.392 -10.465 0.034 160 HD2 PRO 21 HD2 PRO 21 -5.123 -12.558 2.185 161 HD3 PRO 21 HD3 PRO 21 -4.192 -12.356 0.680 162 H GLU 22 H GLU 22 -3.800 -10.935 4.622 163 HA GLU 22 HA GLU 22 -4.457 -9.138 6.664 164 HB2 GLU 22 HB2 GLU 22 -4.257 -11.577 7.012 165 HB3 GLU 22 HB3 GLU 22 -2.512 -11.486 6.773 166 HG2 GLU 22 HG2 GLU 22 -2.304 -10.075 8.777 167 HG3 GLU 22 HG3 GLU 22 -4.054 -10.117 8.992 168 H GLU 23 H GLU 23 -1.319 -9.856 5.188 169 HA GLU 23 HA GLU 23 0.149 -7.931 6.700 170 HB2 GLU 23 HB2 GLU 23 0.807 -9.366 4.102 171 HB3 GLU 23 HB3 GLU 23 1.938 -8.345 4.981 172 HG2 GLU 23 HG2 GLU 23 0.701 -10.916 6.020 173 HG3 GLU 23 HG3 GLU 23 2.340 -10.730 5.394 174 H VAL 24 H VAL 24 -1.553 -7.889 3.575 175 HA VAL 24 HA VAL 24 -0.649 -5.440 2.544 176 HB VAL 24 HB VAL 24 -3.298 -6.901 2.196 177 HG11 VAL 24 HG11 VAL 24 -3.808 -5.402 0.289 178 HG12 VAL 24 HG12 VAL 24 -2.412 -4.402 0.704 179 HG13 VAL 24 HG13 VAL 24 -3.780 -4.519 1.814 180 HG21 VAL 24 HG21 VAL 24 -0.922 -6.511 0.344 181 HG22 VAL 24 HG22 VAL 24 -2.394 -7.401 -0.057 182 HG23 VAL 24 HG23 VAL 24 -1.325 -7.994 1.220 183 H GLU 25 H GLU 25 -3.191 -6.120 4.932 184 HA GLU 25 HA GLU 25 -4.365 -3.585 5.208 185 HB2 GLU 25 HB2 GLU 25 -3.945 -5.756 7.316 186 HB3 GLU 25 HB3 GLU 25 -4.980 -4.343 7.543 187 HG2 GLU 25 HG2 GLU 25 -6.438 -5.052 5.745 188 HG3 GLU 25 HG3 GLU 25 -5.362 -6.393 5.348 189 H LYS 26 H LYS 26 -1.434 -4.911 6.583 190 HA LYS 26 HA LYS 26 -0.765 -2.682 8.251 191 HB2 LYS 26 HB2 LYS 26 1.003 -4.898 7.131 192 HB3 LYS 26 HB3 LYS 26 1.435 -3.801 8.446 193 HG2 LYS 26 HG2 LYS 26 -0.329 -4.735 9.853 194 HG3 LYS 26 HG3 LYS 26 -0.864 -5.782 8.528 195 HD2 LYS 26 HD2 LYS 26 1.362 -6.910 8.554 196 HD3 LYS 26 HD3 LYS 26 1.852 -5.890 9.911 197 HE2 LYS 26 HE2 LYS 26 0.048 -6.876 11.281 198 HE3 LYS 26 HE3 LYS 26 -0.428 -7.894 9.921 199 HZ1 LYS 26 HZ1 LYS 26 0.963 -9.075 11.514 200 HZ2 LYS 26 HZ2 LYS 26 2.221 -7.972 11.268 201 HZ3 LYS 26 HZ3 LYS 26 1.714 -8.975 10.003 202 H GLU 27 H GLU 27 0.336 -3.822 5.046 203 HA GLU 27 HA GLU 27 2.391 -1.901 4.742 204 HB2 GLU 27 HB2 GLU 27 0.982 -3.454 2.539 205 HB3 GLU 27 HB3 GLU 27 2.568 -2.694 2.431 206 HG2 GLU 27 HG2 GLU 27 1.773 -5.130 4.034 207 HG3 GLU 27 HG3 GLU 27 2.880 -5.055 2.673 208 H ALA 28 H ALA 28 -0.878 -2.077 3.375 209 HA ALA 28 HA ALA 28 -0.841 0.080 1.656 210 HB1 ALA 28 HB1 ALA 28 -2.605 -1.625 1.612 211 HB2 ALA 28 HB2 ALA 28 -3.305 -0.009 1.700 212 HB3 ALA 28 HB3 ALA 28 -3.252 -1.024 3.144 213 H ARG 29 H ARG 29 -1.705 0.033 5.133 214 HA ARG 29 HA ARG 29 -2.386 2.816 5.171 215 HB2 ARG 29 HB2 ARG 29 -2.601 2.615 7.590 216 HB3 ARG 29 HB3 ARG 29 -3.427 1.295 6.775 217 HG2 ARG 29 HG2 ARG 29 -1.648 -0.262 7.392 218 HG3 ARG 29 HG3 ARG 29 -0.696 1.045 8.097 219 HD2 ARG 29 HD2 ARG 29 -2.422 1.387 9.818 220 HD3 ARG 29 HD3 ARG 29 -3.414 0.118 9.094 221 HE ARG 29 HE ARG 29 -0.782 -0.790 9.834 222 HH11 ARG 29 HH11 ARG 29 -4.017 -0.198 11.082 223 HH12 ARG 29 HH12 ARG 29 -3.850 -1.316 12.399 224 HH21 ARG 29 HH21 ARG 29 -0.570 -2.256 11.585 225 HH22 ARG 29 HH22 ARG 29 -1.894 -2.480 12.679 226 H ARG 30 H ARG 30 0.482 0.973 6.287 227 HA ARG 30 HA ARG 30 1.755 3.172 7.534 228 HB2 ARG 30 HB2 ARG 30 2.927 0.560 6.512 229 HB3 ARG 30 HB3 ARG 30 3.795 1.705 7.530 230 HG2 ARG 30 HG2 ARG 30 1.260 0.255 8.342 231 HG3 ARG 30 HG3 ARG 30 2.888 -0.284 8.730 232 HD2 ARG 30 HD2 ARG 30 2.245 0.772 10.685 233 HD3 ARG 30 HD3 ARG 30 3.131 2.058 9.871 234 HE ARG 30 HE ARG 30 0.901 2.953 9.192 235 HH11 ARG 30 HH11 ARG 30 1.106 0.858 12.037 236 HH12 ARG 30 HH12 ARG 30 -0.321 1.526 12.766 237 HH21 ARG 30 HH21 ARG 30 -0.914 3.833 10.203 238 HH22 ARG 30 HH22 ARG 30 -1.457 3.208 11.723 239 H THR 31 H THR 31 2.139 1.689 4.341 240 HA THR 31 HA THR 31 4.271 3.199 3.366 241 HB THR 31 HB THR 31 1.987 1.900 1.824 242 HG1 THR 31 HG1 THR 31 3.341 0.533 3.139 243 HG21 THR 31 HG21 THR 31 3.486 1.937 -0.151 244 HG22 THR 31 HG22 THR 31 4.694 2.828 0.777 245 HG23 THR 31 HG23 THR 31 3.145 3.581 0.393 246 H LYS 32 H LYS 32 0.745 3.698 3.000 247 HA LYS 32 HA LYS 32 0.969 5.982 1.356 248 HB2 LYS 32 HB2 LYS 32 -1.347 4.812 2.915 249 HB3 LYS 32 HB3 LYS 32 -1.528 6.282 1.962 250 HG2 LYS 32 HG2 LYS 32 -0.696 3.564 0.905 251 HG3 LYS 32 HG3 LYS 32 -2.279 4.315 0.713 252 HD2 LYS 32 HD2 LYS 32 0.309 5.486 -0.413 253 HD3 LYS 32 HD3 LYS 32 -0.794 4.457 -1.319 254 HE2 LYS 32 HE2 LYS 32 -1.308 6.685 -1.949 255 HE3 LYS 32 HE3 LYS 32 -2.604 6.175 -0.871 256 HZ1 LYS 32 HZ1 LYS 32 -1.634 7.441 0.898 257 HZ2 LYS 32 HZ2 LYS 32 -1.781 8.445 -0.441 258 HZ3 LYS 32 HZ3 LYS 32 -0.275 7.819 -0.036 259 H GLU 33 H GLU 33 0.789 5.669 4.847 260 HA GLU 33 HA GLU 33 0.380 8.466 5.401 261 HB2 GLU 33 HB2 GLU 33 1.423 6.191 7.152 262 HB3 GLU 33 HB3 GLU 33 1.054 7.812 7.748 263 HG2 GLU 33 HG2 GLU 33 -1.284 7.562 7.242 264 HG3 GLU 33 HG3 GLU 33 -0.988 6.069 6.352 265 H GLU 34 H GLU 34 3.208 6.370 4.984 266 HA GLU 34 HA GLU 34 5.119 8.323 5.933 267 HB2 GLU 34 HB2 GLU 34 5.542 5.972 6.366 268 HB3 GLU 34 HB3 GLU 34 5.553 5.603 4.643 269 HG2 GLU 34 HG2 GLU 34 7.626 6.750 4.308 270 HG3 GLU 34 HG3 GLU 34 7.527 7.546 5.876 271 H GLU 35 H GLU 35 4.301 7.057 2.680 272 HA GLU 35 HA GLU 35 6.310 8.610 1.374 273 HB2 GLU 35 HB2 GLU 35 5.249 7.872 -0.750 274 HB3 GLU 35 HB3 GLU 35 5.652 6.555 0.337 275 HG2 GLU 35 HG2 GLU 35 3.587 5.958 -0.616 276 HG3 GLU 35 HG3 GLU 35 3.187 6.517 1.003 277 H CYS 36 H CYS 36 3.125 9.303 2.478 278 HA CYS 36 HA CYS 36 2.753 11.629 0.798 279 HB2 CYS 36 HB2 CYS 36 0.868 10.180 1.708 280 HB3 CYS 36 HB3 CYS 36 1.160 10.933 3.277 281 H ARG 37 H ARG 37 4.483 10.973 3.687 282 HA ARG 37 HA ARG 37 4.875 13.886 4.115 283 HB2 ARG 37 HB2 ARG 37 5.714 13.368 6.351 284 HB3 ARG 37 HB3 ARG 37 4.115 12.676 6.142 285 HG2 ARG 37 HG2 ARG 37 5.156 10.923 7.223 286 HG3 ARG 37 HG3 ARG 37 5.470 10.477 5.552 287 HD2 ARG 37 HD2 ARG 37 7.750 11.490 5.747 288 HD3 ARG 37 HD3 ARG 37 7.414 11.838 7.442 289 HE ARG 37 HE ARG 37 7.045 9.096 7.041 290 HH11 ARG 37 HH11 ARG 37 9.704 11.442 6.964 291 HH12 ARG 37 HH12 ARG 37 10.894 10.263 7.415 292 HH21 ARG 37 HH21 ARG 37 8.666 7.593 7.620 293 HH22 ARG 37 HH22 ARG 37 10.310 8.122 7.776 294 H LYS 38 H LYS 38 7.272 14.301 4.862 295 HA LYS 38 HA LYS 38 8.986 13.077 2.808 296 HB2 LYS 38 HB2 LYS 38 10.500 15.098 3.228 297 HB3 LYS 38 HB3 LYS 38 8.949 15.403 2.472 298 HG2 LYS 38 HG2 LYS 38 9.029 17.161 3.970 299 HG3 LYS 38 HG3 LYS 38 8.154 15.962 4.922 300 HD2 LYS 38 HD2 LYS 38 10.329 15.333 6.018 301 HD3 LYS 38 HD3 LYS 38 11.111 16.657 5.149 302 HE2 LYS 38 HE2 LYS 38 8.808 16.949 7.104 303 HE3 LYS 38 HE3 LYS 38 10.501 17.250 7.484 304 HZ1 LYS 38 HZ1 LYS 38 9.302 19.287 7.026 305 HZ2 LYS 38 HZ2 LYS 38 8.888 18.752 5.483 306 HZ3 LYS 38 HZ3 LYS 38 10.509 19.046 5.868 Start of MODEL 3 1 H1 GLN 1 H1 GLN 1 -5.952 -10.663 -5.229 2 H2 GLN 1 H2 GLN 1 -4.622 -11.625 -5.601 3 H3 GLN 1 H3 GLN 1 -5.993 -11.660 -6.589 4 HA GLN 1 HA GLN 1 -4.210 -10.403 -7.591 5 HB2 GLN 1 HB2 GLN 1 -6.668 -8.826 -6.715 6 HB3 GLN 1 HB3 GLN 1 -5.529 -8.221 -7.911 7 HG2 GLN 1 HG2 GLN 1 -7.054 -10.822 -8.234 8 HG3 GLN 1 HG3 GLN 1 -7.632 -9.268 -8.828 9 HE21 GLN 1 HE21 GLN 1 -7.627 -9.941 -10.967 10 HE22 GLN 1 HE22 GLN 1 -6.177 -10.211 -11.865 11 H CYS 2 H CYS 2 -3.130 -8.286 -7.615 12 HA CYS 2 HA CYS 2 -1.838 -7.753 -5.048 13 HB2 CYS 2 HB2 CYS 2 -1.164 -6.637 -7.803 14 HB3 CYS 2 HB3 CYS 2 -0.165 -6.545 -6.352 15 H TYR 3 H TYR 3 -2.385 -6.118 -3.814 16 HA TYR 3 HA TYR 3 -4.586 -4.425 -4.264 17 HB2 TYR 3 HB2 TYR 3 -3.471 -5.381 -2.072 18 HB3 TYR 3 HB3 TYR 3 -2.474 -3.945 -2.137 19 HD1 TYR 3 HD2 TYR 3 -5.931 -5.214 -1.669 20 HD2 TYR 3 HD1 TYR 3 -3.381 -1.795 -1.430 21 HE1 TYR 3 HE2 TYR 3 -7.653 -4.015 -0.400 22 HE2 TYR 3 HE1 TYR 3 -5.105 -0.600 -0.158 23 HH TYR 3 HH TYR 3 -7.804 -2.135 1.198 24 H THR 4 H THR 4 -4.560 -2.750 -5.668 25 HA THR 4 HA THR 4 -2.122 -1.152 -6.098 26 HB THR 4 HB THR 4 -4.673 -1.185 -7.778 27 HG1 THR 4 HG1 THR 4 -3.407 -3.230 -7.601 28 HG21 THR 4 HG21 THR 4 -3.270 0.851 -8.108 29 HG22 THR 4 HG22 THR 4 -3.225 -0.188 -9.531 30 HG23 THR 4 HG23 THR 4 -1.860 -0.176 -8.414 31 H PHE 5 H PHE 5 -1.988 0.744 -5.057 32 HA PHE 5 HA PHE 5 -4.364 2.428 -4.570 33 HB2 PHE 5 HB2 PHE 5 -3.433 2.913 -2.219 34 HB3 PHE 5 HB3 PHE 5 -4.183 1.341 -2.447 35 HD1 PHE 5 HD2 PHE 5 -2.674 -0.684 -2.828 36 HD2 PHE 5 HD1 PHE 5 -1.141 3.028 -1.391 37 HE1 PHE 5 HE2 PHE 5 -0.721 -1.831 -1.957 38 HE2 PHE 5 HE1 PHE 5 0.838 1.851 -0.508 39 HZ PHE 5 HZ PHE 5 1.032 -0.600 -0.787 40 H ARG 6 H ARG 6 -3.921 4.597 -4.700 41 HA ARG 6 HA ARG 6 -1.201 5.317 -5.605 42 HB2 ARG 6 HB2 ARG 6 -2.898 5.266 -7.423 43 HB3 ARG 6 HB3 ARG 6 -3.869 6.446 -6.545 44 HG2 ARG 6 HG2 ARG 6 -2.120 8.146 -6.808 45 HG3 ARG 6 HG3 ARG 6 -1.045 6.962 -7.558 46 HD2 ARG 6 HD2 ARG 6 -2.697 6.711 -9.422 47 HD3 ARG 6 HD3 ARG 6 -3.663 7.996 -8.687 48 HE ARG 6 HE ARG 6 -1.909 9.544 -9.147 49 HH11 ARG 6 HH11 ARG 6 -1.409 6.409 -10.676 50 HH12 ARG 6 HH12 ARG 6 -0.303 7.040 -11.847 51 HH21 ARG 6 HH21 ARG 6 -0.515 10.346 -10.732 52 HH22 ARG 6 HH22 ARG 6 0.200 9.261 -11.877 53 H SER 7 H SER 7 -0.233 6.541 -4.171 54 HA SER 7 HA SER 7 -1.676 8.347 -2.391 55 HB2 SER 7 HB2 SER 7 0.224 7.109 -1.440 56 HB3 SER 7 HB3 SER 7 1.307 7.764 -2.667 57 HG SER 7 HG SER 7 0.287 8.945 -0.374 58 H GLU 8 H GLU 8 -2.318 10.205 -3.203 59 HA GLU 8 HA GLU 8 -1.346 11.440 -5.577 60 HB2 GLU 8 HB2 GLU 8 -3.045 12.707 -3.380 61 HB3 GLU 8 HB3 GLU 8 -2.920 13.236 -5.058 62 HG2 GLU 8 HG2 GLU 8 -4.030 11.201 -5.828 63 HG3 GLU 8 HG3 GLU 8 -4.067 10.563 -4.182 64 H CYS 9 H CYS 9 -0.445 11.608 -2.253 65 HA CYS 9 HA CYS 9 0.824 14.099 -2.026 66 HB2 CYS 9 HB2 CYS 9 1.533 11.482 -0.635 67 HB3 CYS 9 HB3 CYS 9 1.950 13.105 -0.075 68 H THR 10 H THR 10 1.838 11.223 -3.637 69 HA THR 10 HA THR 10 4.525 12.315 -4.216 70 HB THR 10 HB THR 10 4.735 10.375 -2.671 71 HG1 THR 10 HG1 THR 10 6.007 9.014 -4.157 72 HG21 THR 10 HG21 THR 10 3.269 8.785 -4.810 73 HG22 THR 10 HG22 THR 10 2.643 9.192 -3.208 74 HG23 THR 10 HG23 THR 10 4.035 8.121 -3.366 75 H ASN 11 H ASN 11 1.495 11.342 -5.326 76 HA ASN 11 HA ASN 11 0.493 11.178 -7.338 77 HB2 ASN 11 HB2 ASN 11 1.891 13.191 -7.824 78 HB3 ASN 11 HB3 ASN 11 3.161 12.148 -8.435 79 HD21 ASN 11 HD21 ASN 11 3.164 12.981 -10.502 80 HD22 ASN 11 HD22 ASN 11 1.843 12.843 -11.605 81 H LYS 12 H LYS 12 2.117 8.936 -6.154 82 HA LYS 12 HA LYS 12 2.742 7.307 -8.555 83 HB2 LYS 12 HB2 LYS 12 3.926 7.294 -5.752 84 HB3 LYS 12 HB3 LYS 12 4.157 5.950 -6.861 85 HG2 LYS 12 HG2 LYS 12 4.993 8.809 -7.469 86 HG3 LYS 12 HG3 LYS 12 6.060 7.580 -6.772 87 HD2 LYS 12 HD2 LYS 12 5.622 6.138 -8.798 88 HD3 LYS 12 HD3 LYS 12 4.697 7.470 -9.500 89 HE2 LYS 12 HE2 LYS 12 6.706 8.868 -9.531 90 HE3 LYS 12 HE3 LYS 12 7.638 7.590 -8.746 91 HZ1 LYS 12 HZ1 LYS 12 6.407 7.484 -11.441 92 HZ2 LYS 12 HZ2 LYS 12 7.153 6.172 -10.685 93 HZ3 LYS 12 HZ3 LYS 12 8.053 7.547 -11.079 94 H GLU 13 H GLU 13 1.817 5.367 -8.760 95 HA GLU 13 HA GLU 13 -0.105 4.402 -6.733 96 HB2 GLU 13 HB2 GLU 13 -0.885 2.873 -8.617 97 HB3 GLU 13 HB3 GLU 13 -1.151 4.594 -8.892 98 HG2 GLU 13 HG2 GLU 13 0.871 4.646 -10.336 99 HG3 GLU 13 HG3 GLU 13 1.070 2.908 -10.090 100 H PHE 14 H PHE 14 0.071 2.292 -5.944 101 HA PHE 14 HA PHE 14 2.706 0.970 -6.138 102 HB2 PHE 14 HB2 PHE 14 1.050 1.328 -3.588 103 HB3 PHE 14 HB3 PHE 14 2.667 0.640 -3.704 104 HD1 PHE 14 HD2 PHE 14 4.602 2.146 -4.316 105 HD2 PHE 14 HD1 PHE 14 0.731 3.697 -3.360 106 HE1 PHE 14 HE2 PHE 14 5.578 4.359 -3.928 107 HE2 PHE 14 HE1 PHE 14 1.722 5.908 -2.979 108 HZ PHE 14 HZ PHE 14 4.144 6.243 -3.259 109 H THR 15 H THR 15 2.498 -1.134 -6.619 110 HA THR 15 HA THR 15 -0.097 -2.539 -6.277 111 HB THR 15 HB THR 15 2.148 -3.046 -8.292 112 HG1 THR 15 HG1 THR 15 0.154 -1.221 -8.286 113 HG21 THR 15 HG21 THR 15 0.516 -4.487 -9.456 114 HG22 THR 15 HG22 THR 15 -0.667 -4.192 -8.178 115 HG23 THR 15 HG23 THR 15 0.819 -5.079 -7.820 116 H VAL 16 H VAL 16 0.031 -3.986 -4.592 117 HA VAL 16 HA VAL 16 2.683 -5.153 -3.899 118 HB VAL 16 HB VAL 16 2.052 -3.264 -2.377 119 HG11 VAL 16 HG11 VAL 16 -0.397 -3.553 -2.317 120 HG12 VAL 16 HG12 VAL 16 0.284 -3.508 -0.690 121 HG13 VAL 16 HG13 VAL 16 -0.210 -5.050 -1.400 122 HG21 VAL 16 HG21 VAL 16 2.221 -5.967 -0.991 123 HG22 VAL 16 HG22 VAL 16 2.625 -4.410 -0.263 124 HG23 VAL 16 HG23 VAL 16 3.584 -5.033 -1.607 125 H CYS 17 H CYS 17 2.743 -7.289 -3.375 126 HA CYS 17 HA CYS 17 0.234 -8.824 -3.162 127 HB2 CYS 17 HB2 CYS 17 2.013 -8.827 -5.468 128 HB3 CYS 17 HB3 CYS 17 1.971 -10.433 -4.759 129 H ARG 18 H ARG 18 0.736 -8.941 -0.961 130 HA ARG 18 HA ARG 18 2.802 -10.852 -0.125 131 HB2 ARG 18 HB2 ARG 18 0.772 -9.123 1.325 132 HB3 ARG 18 HB3 ARG 18 1.391 -10.542 2.144 133 HG2 ARG 18 HG2 ARG 18 2.600 -8.538 2.823 134 HG3 ARG 18 HG3 ARG 18 3.667 -9.681 2.014 135 HD2 ARG 18 HD2 ARG 18 3.746 -8.326 0.028 136 HD3 ARG 18 HD3 ARG 18 2.450 -7.274 0.619 137 HE ARG 18 HE ARG 18 4.196 -6.880 2.535 138 HH11 ARG 18 HH11 ARG 18 4.960 -7.052 -0.908 139 HH12 ARG 18 HH12 ARG 18 6.324 -5.993 -0.763 140 HH21 ARG 18 HH21 ARG 18 5.921 -5.447 2.670 141 HH22 ARG 18 HH22 ARG 18 6.864 -5.087 1.259 142 HA PRO 19 HA PRO 19 0.121 -14.420 -0.660 143 HB2 PRO 19 HB2 PRO 19 0.791 -16.096 1.409 144 HB3 PRO 19 HB3 PRO 19 1.908 -15.734 0.077 145 HG2 PRO 19 HG2 PRO 19 1.812 -14.502 2.825 146 HG3 PRO 19 HG3 PRO 19 3.216 -15.105 1.913 147 HD2 PRO 19 HD2 PRO 19 2.609 -12.461 2.003 148 HD3 PRO 19 HD3 PRO 19 3.336 -13.204 0.561 149 H ASN 20 H ASN 20 -0.173 -12.628 2.289 150 HA ASN 20 HA ASN 20 -2.953 -13.563 2.679 151 HB2 ASN 20 HB2 ASN 20 -2.660 -13.267 5.143 152 HB3 ASN 20 HB3 ASN 20 -1.627 -14.533 4.490 153 HD21 ASN 20 HD21 ASN 20 -1.400 -12.866 6.951 154 HD22 ASN 20 HD22 ASN 20 0.186 -12.186 6.874 155 HA PRO 21 HA PRO 21 -4.066 -9.172 2.264 156 HB2 PRO 21 HB2 PRO 21 -6.292 -9.985 4.140 157 HB3 PRO 21 HB3 PRO 21 -6.380 -9.121 2.586 158 HG2 PRO 21 HG2 PRO 21 -7.078 -11.674 2.697 159 HG3 PRO 21 HG3 PRO 21 -6.118 -11.069 1.327 160 HD2 PRO 21 HD2 PRO 21 -5.193 -12.658 3.712 161 HD3 PRO 21 HD3 PRO 21 -4.732 -12.824 2.002 162 H GLU 22 H GLU 22 -3.760 -10.782 5.389 163 HA GLU 22 HA GLU 22 -3.997 -8.730 7.236 164 HB2 GLU 22 HB2 GLU 22 -3.745 -11.030 7.959 165 HB3 GLU 22 HB3 GLU 22 -2.173 -11.165 7.191 166 HG2 GLU 22 HG2 GLU 22 -1.873 -11.064 9.589 167 HG3 GLU 22 HG3 GLU 22 -1.224 -9.592 8.868 168 H GLU 23 H GLU 23 -0.997 -9.816 5.594 169 HA GLU 23 HA GLU 23 0.637 -7.736 6.636 170 HB2 GLU 23 HB2 GLU 23 1.075 -9.575 4.258 171 HB3 GLU 23 HB3 GLU 23 2.303 -8.493 4.915 172 HG2 GLU 23 HG2 GLU 23 1.017 -10.864 6.285 173 HG3 GLU 23 HG3 GLU 23 2.680 -10.739 5.724 174 H VAL 24 H VAL 24 -1.222 -8.107 3.651 175 HA VAL 24 HA VAL 24 -0.195 -5.986 2.137 176 HB VAL 24 HB VAL 24 -3.021 -7.144 2.114 177 HG11 VAL 24 HG11 VAL 24 -3.233 -6.146 -0.159 178 HG12 VAL 24 HG12 VAL 24 -1.679 -5.330 0.064 179 HG13 VAL 24 HG13 VAL 24 -3.053 -4.913 1.091 180 HG21 VAL 24 HG21 VAL 24 -2.256 -8.422 0.141 181 HG22 VAL 24 HG22 VAL 24 -1.288 -8.808 1.566 182 HG23 VAL 24 HG23 VAL 24 -0.633 -7.739 0.322 183 H GLU 25 H GLU 25 -2.936 -6.030 4.448 184 HA GLU 25 HA GLU 25 -3.896 -3.428 4.061 185 HB2 GLU 25 HB2 GLU 25 -4.033 -5.151 6.576 186 HB3 GLU 25 HB3 GLU 25 -4.970 -3.678 6.327 187 HG2 GLU 25 HG2 GLU 25 -5.170 -6.218 4.674 188 HG3 GLU 25 HG3 GLU 25 -6.307 -5.702 5.913 189 H LYS 26 H LYS 26 -1.327 -4.685 6.126 190 HA LYS 26 HA LYS 26 -0.751 -2.320 7.564 191 HB2 LYS 26 HB2 LYS 26 -0.048 -4.599 8.256 192 HB3 LYS 26 HB3 LYS 26 1.054 -4.680 6.887 193 HG2 LYS 26 HG2 LYS 26 2.460 -2.945 7.833 194 HG3 LYS 26 HG3 LYS 26 1.281 -2.617 9.104 195 HD2 LYS 26 HD2 LYS 26 2.910 -3.905 10.212 196 HD3 LYS 26 HD3 LYS 26 1.649 -5.078 9.835 197 HE2 LYS 26 HE2 LYS 26 4.210 -4.689 8.244 198 HE3 LYS 26 HE3 LYS 26 3.941 -5.961 9.433 199 HZ1 LYS 26 HZ1 LYS 26 2.062 -6.711 8.011 200 HZ2 LYS 26 HZ2 LYS 26 3.581 -6.869 7.296 201 HZ3 LYS 26 HZ3 LYS 26 2.557 -5.604 6.829 202 H GLU 27 H GLU 27 0.542 -3.679 4.507 203 HA GLU 27 HA GLU 27 2.616 -1.761 4.137 204 HB2 GLU 27 HB2 GLU 27 1.240 -3.312 1.899 205 HB3 GLU 27 HB3 GLU 27 2.874 -2.646 1.897 206 HG2 GLU 27 HG2 GLU 27 1.820 -5.057 3.374 207 HG3 GLU 27 HG3 GLU 27 3.084 -4.994 2.155 208 H ALA 28 H ALA 28 -0.721 -1.968 3.120 209 HA ALA 28 HA ALA 28 -0.758 0.129 1.242 210 HB1 ALA 28 HB1 ALA 28 -3.199 -0.092 1.348 211 HB2 ALA 28 HB2 ALA 28 -3.058 -1.084 2.806 212 HB3 ALA 28 HB3 ALA 28 -2.423 -1.675 1.267 213 H ARG 29 H ARG 29 -1.818 -0.034 4.656 214 HA ARG 29 HA ARG 29 -2.647 2.688 4.768 215 HB2 ARG 29 HB2 ARG 29 -2.999 2.365 7.133 216 HB3 ARG 29 HB3 ARG 29 -3.559 0.936 6.274 217 HG2 ARG 29 HG2 ARG 29 -1.451 -0.243 6.928 218 HG3 ARG 29 HG3 ARG 29 -0.972 1.181 7.861 219 HD2 ARG 29 HD2 ARG 29 -2.993 0.924 9.273 220 HD3 ARG 29 HD3 ARG 29 -3.475 -0.489 8.323 221 HE ARG 29 HE ARG 29 -0.976 -0.382 9.915 222 HH11 ARG 29 HH11 ARG 29 -3.825 -2.125 8.893 223 HH12 ARG 29 HH12 ARG 29 -3.429 -3.552 9.779 224 HH21 ARG 29 HH21 ARG 29 -0.469 -2.251 11.112 225 HH22 ARG 29 HH22 ARG 29 -1.516 -3.627 11.042 226 H ARG 30 H ARG 30 0.411 1.047 5.511 227 HA ARG 30 HA ARG 30 1.577 3.295 6.849 228 HB2 ARG 30 HB2 ARG 30 2.789 0.729 5.791 229 HB3 ARG 30 HB3 ARG 30 3.783 1.991 6.513 230 HG2 ARG 30 HG2 ARG 30 1.484 0.604 7.934 231 HG3 ARG 30 HG3 ARG 30 3.175 0.125 8.082 232 HD2 ARG 30 HD2 ARG 30 2.648 1.453 10.002 233 HD3 ARG 30 HD3 ARG 30 3.658 2.459 8.965 234 HE ARG 30 HE ARG 30 0.729 2.744 8.825 235 HH11 ARG 30 HH11 ARG 30 3.788 4.117 9.902 236 HH12 ARG 30 HH12 ARG 30 3.113 5.694 10.156 237 HH21 ARG 30 HH21 ARG 30 -0.096 4.830 9.114 238 HH22 ARG 30 HH22 ARG 30 0.930 6.090 9.713 239 H THR 31 H THR 31 2.009 1.926 3.557 240 HA THR 31 HA THR 31 4.016 3.723 2.738 241 HB THR 31 HB THR 31 2.052 2.198 0.977 242 HG1 THR 31 HG1 THR 31 3.542 1.059 2.485 243 HG21 THR 31 HG21 THR 31 3.757 2.441 -0.821 244 HG22 THR 31 HG22 THR 31 4.720 3.482 0.228 245 HG23 THR 31 HG23 THR 31 3.132 4.015 -0.330 246 H LYS 32 H LYS 32 0.463 3.866 2.338 247 HA LYS 32 HA LYS 32 0.258 6.197 0.808 248 HB2 LYS 32 HB2 LYS 32 -1.619 4.921 2.824 249 HB3 LYS 32 HB3 LYS 32 -2.072 6.384 1.952 250 HG2 LYS 32 HG2 LYS 32 -1.272 3.786 0.607 251 HG3 LYS 32 HG3 LYS 32 -2.939 4.238 0.961 252 HD2 LYS 32 HD2 LYS 32 -1.154 6.054 -0.694 253 HD3 LYS 32 HD3 LYS 32 -1.979 4.683 -1.430 254 HE2 LYS 32 HE2 LYS 32 -3.210 6.831 -1.688 255 HE3 LYS 32 HE3 LYS 32 -4.143 5.595 -0.858 256 HZ1 LYS 32 HZ1 LYS 32 -2.671 7.734 0.568 257 HZ2 LYS 32 HZ2 LYS 32 -3.842 6.693 1.199 258 HZ3 LYS 32 HZ3 LYS 32 -4.279 7.883 0.087 259 H GLU 33 H GLU 33 0.372 5.820 4.366 260 HA GLU 33 HA GLU 33 0.242 8.619 4.947 261 HB2 GLU 33 HB2 GLU 33 1.204 6.292 6.655 262 HB3 GLU 33 HB3 GLU 33 1.038 7.944 7.250 263 HG2 GLU 33 HG2 GLU 33 -1.177 6.125 6.264 264 HG3 GLU 33 HG3 GLU 33 -0.882 6.624 7.927 265 H GLU 34 H GLU 34 2.878 6.376 4.287 266 HA GLU 34 HA GLU 34 5.017 7.874 5.370 267 HB2 GLU 34 HB2 GLU 34 4.877 5.536 3.461 268 HB3 GLU 34 HB3 GLU 34 6.412 6.362 3.698 269 HG2 GLU 34 HG2 GLU 34 4.762 5.071 5.892 270 HG3 GLU 34 HG3 GLU 34 6.175 4.350 5.120 271 H GLU 35 H GLU 35 3.481 7.849 2.220 272 HA GLU 35 HA GLU 35 5.427 9.604 0.996 273 HB2 GLU 35 HB2 GLU 35 2.613 8.944 0.043 274 HB3 GLU 35 HB3 GLU 35 3.930 9.606 -0.920 275 HG2 GLU 35 HG2 GLU 35 3.772 6.820 0.265 276 HG3 GLU 35 HG3 GLU 35 3.577 7.247 -1.428 277 H CYS 36 H CYS 36 2.594 9.996 2.968 278 HA CYS 36 HA CYS 36 2.069 12.745 2.073 279 HB2 CYS 36 HB2 CYS 36 0.468 10.865 3.835 280 HB3 CYS 36 HB3 CYS 36 -0.034 12.495 3.393 281 H ARG 37 H ARG 37 3.703 11.169 4.656 282 HA ARG 37 HA ARG 37 3.137 13.224 6.641 283 HB2 ARG 37 HB2 ARG 37 4.661 11.887 8.145 284 HB3 ARG 37 HB3 ARG 37 3.280 11.007 7.519 285 HG2 ARG 37 HG2 ARG 37 5.020 9.449 7.389 286 HG3 ARG 37 HG3 ARG 37 4.875 10.058 5.747 287 HD2 ARG 37 HD2 ARG 37 6.861 11.426 6.013 288 HD3 ARG 37 HD3 ARG 37 6.972 11.002 7.727 289 HE ARG 37 HE ARG 37 7.000 8.646 6.177 290 HH11 ARG 37 HH11 ARG 37 9.105 11.374 6.944 291 HH12 ARG 37 HH12 ARG 37 10.558 10.466 6.674 292 HH21 ARG 37 HH21 ARG 37 8.910 7.493 5.863 293 HH22 ARG 37 HH22 ARG 37 10.437 8.283 6.069 294 H LYS 38 H LYS 38 4.899 13.512 4.015 295 HA LYS 38 HA LYS 38 7.436 14.423 4.850 296 HB2 LYS 38 HB2 LYS 38 6.830 13.822 2.491 297 HB3 LYS 38 HB3 LYS 38 5.827 15.267 2.397 298 HG2 LYS 38 HG2 LYS 38 7.902 16.642 2.841 299 HG3 LYS 38 HG3 LYS 38 8.847 15.156 2.719 300 HD2 LYS 38 HD2 LYS 38 8.947 16.338 0.602 301 HD3 LYS 38 HD3 LYS 38 8.011 14.859 0.373 302 HE2 LYS 38 HE2 LYS 38 5.918 16.150 0.437 303 HE3 LYS 38 HE3 LYS 38 6.815 17.627 0.803 304 HZ1 LYS 38 HZ1 LYS 38 7.052 16.042 -1.700 305 HZ2 LYS 38 HZ2 LYS 38 7.894 17.464 -1.356 306 HZ3 LYS 38 HZ3 LYS 38 6.215 17.502 -1.535 Start of MODEL 4 1 H1 GLN 1 H1 GLN 1 -6.132 -10.581 -7.426 2 H2 GLN 1 H2 GLN 1 -5.880 -8.967 -7.864 3 H3 GLN 1 H3 GLN 1 -5.432 -9.501 -6.328 4 HA GLN 1 HA GLN 1 -3.790 -10.970 -7.278 5 HB2 GLN 1 HB2 GLN 1 -4.568 -9.596 -9.891 6 HB3 GLN 1 HB3 GLN 1 -3.232 -10.731 -9.700 7 HG2 GLN 1 HG2 GLN 1 -4.773 -12.546 -9.227 8 HG3 GLN 1 HG3 GLN 1 -6.145 -11.433 -9.236 9 HE21 GLN 1 HE21 GLN 1 -6.873 -10.599 -11.235 10 HE22 GLN 1 HE22 GLN 1 -6.423 -11.313 -12.745 11 H CYS 2 H CYS 2 -2.620 -9.694 -5.832 12 HA CYS 2 HA CYS 2 -1.152 -8.195 -5.057 13 HB2 CYS 2 HB2 CYS 2 -0.727 -7.211 -7.900 14 HB3 CYS 2 HB3 CYS 2 0.400 -7.121 -6.554 15 H TYR 3 H TYR 3 -1.917 -6.578 -3.822 16 HA TYR 3 HA TYR 3 -4.209 -5.071 -4.494 17 HB2 TYR 3 HB2 TYR 3 -3.503 -5.785 -2.158 18 HB3 TYR 3 HB3 TYR 3 -2.301 -4.515 -2.188 19 HD1 TYR 3 HD2 TYR 3 -5.996 -4.849 -2.898 20 HD2 TYR 3 HD1 TYR 3 -2.918 -2.545 -1.037 21 HE1 TYR 3 HE2 TYR 3 -7.681 -3.265 -2.070 22 HE2 TYR 3 HE1 TYR 3 -4.601 -0.964 -0.202 23 HH TYR 3 HH TYR 3 -7.921 -1.603 -0.228 24 H THR 4 H THR 4 -4.270 -3.329 -5.778 25 HA THR 4 HA THR 4 -1.940 -1.574 -6.164 26 HB THR 4 HB THR 4 -4.585 -1.556 -7.703 27 HG1 THR 4 HG1 THR 4 -2.885 -3.516 -7.658 28 HG21 THR 4 HG21 THR 4 -3.268 -0.417 -9.456 29 HG22 THR 4 HG22 THR 4 -1.816 -0.511 -8.462 30 HG23 THR 4 HG23 THR 4 -3.171 0.499 -7.948 31 H PHE 5 H PHE 5 -1.943 0.537 -5.411 32 HA PHE 5 HA PHE 5 -4.375 1.943 -4.667 33 HB2 PHE 5 HB2 PHE 5 -3.487 2.397 -2.290 34 HB3 PHE 5 HB3 PHE 5 -4.125 0.787 -2.582 35 HD1 PHE 5 HD2 PHE 5 -2.549 -1.141 -2.877 36 HD2 PHE 5 HD1 PHE 5 -1.157 2.681 -1.575 37 HE1 PHE 5 HE2 PHE 5 -0.540 -2.197 -2.006 38 HE2 PHE 5 HE1 PHE 5 0.890 1.616 -0.693 39 HZ PHE 5 HZ PHE 5 1.194 -0.836 -0.897 40 H ARG 6 H ARG 6 -4.092 4.131 -4.745 41 HA ARG 6 HA ARG 6 -1.462 5.123 -5.708 42 HB2 ARG 6 HB2 ARG 6 -3.141 5.131 -7.462 43 HB3 ARG 6 HB3 ARG 6 -4.320 5.933 -6.443 44 HG2 ARG 6 HG2 ARG 6 -1.762 7.406 -6.992 45 HG3 ARG 6 HG3 ARG 6 -2.881 7.232 -8.330 46 HD2 ARG 6 HD2 ARG 6 -4.674 8.241 -6.833 47 HD3 ARG 6 HD3 ARG 6 -3.398 8.607 -5.669 48 HE ARG 6 HE ARG 6 -2.515 9.692 -7.998 49 HH11 ARG 6 HH11 ARG 6 -5.459 10.119 -6.092 50 HH12 ARG 6 HH12 ARG 6 -5.691 11.761 -6.609 51 HH21 ARG 6 HH21 ARG 6 -2.869 11.820 -8.683 52 HH22 ARG 6 HH22 ARG 6 -4.226 12.706 -8.068 53 H SER 7 H SER 7 -0.491 6.574 -4.437 54 HA SER 7 HA SER 7 -2.087 8.186 -2.540 55 HB2 SER 7 HB2 SER 7 -0.161 6.950 -1.559 56 HB3 SER 7 HB3 SER 7 0.944 7.788 -2.647 57 HG SER 7 HG SER 7 0.336 8.583 -0.305 58 H GLU 8 H GLU 8 -2.488 10.222 -2.972 59 HA GLU 8 HA GLU 8 -1.818 11.418 -5.479 60 HB2 GLU 8 HB2 GLU 8 -4.021 11.664 -4.355 61 HB3 GLU 8 HB3 GLU 8 -3.266 12.588 -3.059 62 HG2 GLU 8 HG2 GLU 8 -2.692 14.382 -4.638 63 HG3 GLU 8 HG3 GLU 8 -3.335 13.433 -5.980 64 H CYS 9 H CYS 9 -0.622 11.712 -2.220 65 HA CYS 9 HA CYS 9 0.605 14.272 -2.364 66 HB2 CYS 9 HB2 CYS 9 1.402 11.967 -0.552 67 HB3 CYS 9 HB3 CYS 9 1.598 13.692 -0.252 68 H THR 10 H THR 10 1.515 11.346 -3.788 69 HA THR 10 HA THR 10 4.296 12.227 -4.241 70 HB THR 10 HB THR 10 4.277 10.264 -2.724 71 HG1 THR 10 HG1 THR 10 5.663 8.967 -3.962 72 HG21 THR 10 HG21 THR 10 2.132 9.269 -3.402 73 HG22 THR 10 HG22 THR 10 3.441 8.089 -3.466 74 HG23 THR 10 HG23 THR 10 2.832 8.811 -4.958 75 H ASN 11 H ASN 11 1.252 11.190 -5.488 76 HA ASN 11 HA ASN 11 0.347 11.161 -7.553 77 HB2 ASN 11 HB2 ASN 11 1.735 13.063 -8.189 78 HB3 ASN 11 HB3 ASN 11 3.112 12.008 -8.469 79 HD21 ASN 11 HD21 ASN 11 3.440 12.591 -10.588 80 HD22 ASN 11 HD22 ASN 11 2.311 12.294 -11.864 81 H LYS 12 H LYS 12 3.002 9.197 -6.688 82 HA LYS 12 HA LYS 12 2.870 7.332 -8.894 83 HB2 LYS 12 HB2 LYS 12 4.257 7.110 -6.172 84 HB3 LYS 12 HB3 LYS 12 4.533 6.069 -7.571 85 HG2 LYS 12 HG2 LYS 12 5.451 7.963 -8.836 86 HG3 LYS 12 HG3 LYS 12 5.128 9.044 -7.477 87 HD2 LYS 12 HD2 LYS 12 6.705 7.743 -6.067 88 HD3 LYS 12 HD3 LYS 12 7.028 6.662 -7.424 89 HE2 LYS 12 HE2 LYS 12 8.023 8.503 -8.697 90 HE3 LYS 12 HE3 LYS 12 7.613 9.649 -7.420 91 HZ1 LYS 12 HZ1 LYS 12 9.935 9.003 -7.297 92 HZ2 LYS 12 HZ2 LYS 12 9.511 7.370 -7.154 93 HZ3 LYS 12 HZ3 LYS 12 9.108 8.461 -5.927 94 H GLU 13 H GLU 13 1.897 5.356 -8.855 95 HA GLU 13 HA GLU 13 0.199 4.624 -6.550 96 HB2 GLU 13 HB2 GLU 13 -0.925 3.031 -8.039 97 HB3 GLU 13 HB3 GLU 13 -0.968 4.652 -8.719 98 HG2 GLU 13 HG2 GLU 13 0.799 4.082 -10.310 99 HG3 GLU 13 HG3 GLU 13 0.970 2.482 -9.592 100 H PHE 14 H PHE 14 0.313 2.474 -5.757 101 HA PHE 14 HA PHE 14 2.913 1.110 -6.059 102 HB2 PHE 14 HB2 PHE 14 1.466 1.378 -3.382 103 HB3 PHE 14 HB3 PHE 14 3.123 0.871 -3.680 104 HD1 PHE 14 HD2 PHE 14 4.811 2.617 -4.523 105 HD2 PHE 14 HD1 PHE 14 0.954 3.654 -2.968 106 HE1 PHE 14 HE2 PHE 14 5.567 4.921 -4.139 107 HE2 PHE 14 HE1 PHE 14 1.724 5.947 -2.601 108 HZ PHE 14 HZ PHE 14 4.022 6.586 -3.173 109 H THR 15 H THR 15 2.705 -1.045 -6.293 110 HA THR 15 HA THR 15 0.139 -2.356 -5.624 111 HB THR 15 HB THR 15 2.012 -3.115 -7.895 112 HG1 THR 15 HG1 THR 15 0.893 -1.061 -8.204 113 HG21 THR 15 HG21 THR 15 -0.815 -4.033 -7.248 114 HG22 THR 15 HG22 THR 15 0.651 -5.004 -7.080 115 HG23 THR 15 HG23 THR 15 0.104 -4.496 -8.681 116 H VAL 16 H VAL 16 0.429 -3.709 -3.986 117 HA VAL 16 HA VAL 16 3.053 -5.031 -3.601 118 HB VAL 16 HB VAL 16 2.393 -3.303 -1.885 119 HG11 VAL 16 HG11 VAL 16 -0.017 -3.753 -1.742 120 HG12 VAL 16 HG12 VAL 16 0.753 -3.828 -0.156 121 HG13 VAL 16 HG13 VAL 16 0.318 -5.318 -0.994 122 HG21 VAL 16 HG21 VAL 16 4.079 -5.046 -1.433 123 HG22 VAL 16 HG22 VAL 16 2.814 -6.115 -0.819 124 HG23 VAL 16 HG23 VAL 16 3.194 -4.615 0.028 125 H CYS 17 H CYS 17 3.023 -7.229 -3.133 126 HA CYS 17 HA CYS 17 0.436 -8.580 -3.689 127 HB2 CYS 17 HB2 CYS 17 2.195 -8.284 -5.660 128 HB3 CYS 17 HB3 CYS 17 3.004 -9.642 -4.882 129 H ARG 18 H ARG 18 0.276 -8.969 -1.472 130 HA ARG 18 HA ARG 18 2.181 -10.902 -0.295 131 HB2 ARG 18 HB2 ARG 18 -0.079 -9.396 1.096 132 HB3 ARG 18 HB3 ARG 18 1.188 -10.332 1.867 133 HG2 ARG 18 HG2 ARG 18 1.632 -7.754 0.330 134 HG3 ARG 18 HG3 ARG 18 1.496 -7.877 2.083 135 HD2 ARG 18 HD2 ARG 18 3.804 -7.765 1.722 136 HD3 ARG 18 HD3 ARG 18 3.532 -9.495 1.921 137 HE ARG 18 HE ARG 18 3.646 -9.666 -0.548 138 HH11 ARG 18 HH11 ARG 18 5.178 -6.875 0.999 139 HH12 ARG 18 HH12 ARG 18 6.270 -6.598 -0.326 140 HH21 ARG 18 HH21 ARG 18 5.040 -9.235 -2.301 141 HH22 ARG 18 HH22 ARG 18 6.186 -7.934 -2.185 142 HA PRO 19 HA PRO 19 -0.769 -14.189 -1.034 143 HB2 PRO 19 HB2 PRO 19 -0.170 -15.962 1.006 144 HB3 PRO 19 HB3 PRO 19 0.882 -15.698 -0.398 145 HG2 PRO 19 HG2 PRO 19 1.117 -14.548 2.360 146 HG3 PRO 19 HG3 PRO 19 2.384 -15.213 1.303 147 HD2 PRO 19 HD2 PRO 19 1.979 -12.535 1.567 148 HD3 PRO 19 HD3 PRO 19 2.560 -13.260 0.050 149 H ASN 20 H ASN 20 -0.877 -12.413 1.938 150 HA ASN 20 HA ASN 20 -3.719 -13.103 2.303 151 HB2 ASN 20 HB2 ASN 20 -3.453 -13.210 4.753 152 HB3 ASN 20 HB3 ASN 20 -2.477 -14.442 3.965 153 HD21 ASN 20 HD21 ASN 20 -2.285 -13.009 6.615 154 HD22 ASN 20 HD22 ASN 20 -0.654 -12.437 6.688 155 HA PRO 21 HA PRO 21 -4.207 -8.668 2.452 156 HB2 PRO 21 HB2 PRO 21 -6.622 -8.454 3.781 157 HB3 PRO 21 HB3 PRO 21 -6.480 -9.009 2.101 158 HG2 PRO 21 HG2 PRO 21 -6.742 -10.657 4.596 159 HG3 PRO 21 HG3 PRO 21 -7.586 -10.828 3.039 160 HD2 PRO 21 HD2 PRO 21 -5.468 -12.387 3.671 161 HD3 PRO 21 HD3 PRO 21 -5.757 -11.848 2.000 162 H GLU 22 H GLU 22 -4.007 -10.525 5.397 163 HA GLU 22 HA GLU 22 -4.050 -8.485 7.335 164 HB2 GLU 22 HB2 GLU 22 -4.213 -10.845 7.921 165 HB3 GLU 22 HB3 GLU 22 -2.607 -11.164 7.291 166 HG2 GLU 22 HG2 GLU 22 -2.758 -9.144 9.484 167 HG3 GLU 22 HG3 GLU 22 -3.161 -10.795 9.943 168 H GLU 23 H GLU 23 -1.313 -9.879 5.522 169 HA GLU 23 HA GLU 23 0.656 -8.065 6.437 170 HB2 GLU 23 HB2 GLU 23 0.458 -9.831 3.980 171 HB3 GLU 23 HB3 GLU 23 1.845 -8.786 4.243 172 HG2 GLU 23 HG2 GLU 23 0.952 -10.925 6.187 173 HG3 GLU 23 HG3 GLU 23 2.165 -11.172 4.937 174 H VAL 24 H VAL 24 -1.516 -8.067 3.618 175 HA VAL 24 HA VAL 24 -0.497 -5.887 2.209 176 HB VAL 24 HB VAL 24 -3.370 -6.895 2.370 177 HG11 VAL 24 HG11 VAL 24 -3.764 -5.711 0.223 178 HG12 VAL 24 HG12 VAL 24 -2.172 -4.953 0.354 179 HG13 VAL 24 HG13 VAL 24 -3.425 -4.595 1.545 180 HG21 VAL 24 HG21 VAL 24 -1.759 -8.548 1.507 181 HG22 VAL 24 HG22 VAL 24 -1.233 -7.402 0.273 182 HG23 VAL 24 HG23 VAL 24 -2.885 -8.028 0.251 183 H GLU 25 H GLU 25 -2.808 -5.934 4.932 184 HA GLU 25 HA GLU 25 -3.669 -3.279 4.874 185 HB2 GLU 25 HB2 GLU 25 -3.221 -5.120 7.258 186 HB3 GLU 25 HB3 GLU 25 -4.001 -3.550 7.387 187 HG2 GLU 25 HG2 GLU 25 -4.999 -6.005 5.940 188 HG3 GLU 25 HG3 GLU 25 -5.723 -5.191 7.324 189 H LYS 26 H LYS 26 -0.849 -4.707 6.448 190 HA LYS 26 HA LYS 26 0.257 -2.427 7.670 191 HB2 LYS 26 HB2 LYS 26 1.678 -4.885 6.534 192 HB3 LYS 26 HB3 LYS 26 2.348 -3.774 7.738 193 HG2 LYS 26 HG2 LYS 26 0.676 -4.443 9.367 194 HG3 LYS 26 HG3 LYS 26 -0.164 -5.421 8.158 195 HD2 LYS 26 HD2 LYS 26 1.946 -6.825 7.965 196 HD3 LYS 26 HD3 LYS 26 2.589 -5.932 9.345 197 HE2 LYS 26 HE2 LYS 26 0.735 -6.738 10.743 198 HE3 LYS 26 HE3 LYS 26 0.047 -7.584 9.354 199 HZ1 LYS 26 HZ1 LYS 26 1.239 -9.149 10.671 200 HZ2 LYS 26 HZ2 LYS 26 2.625 -8.176 10.711 201 HZ3 LYS 26 HZ3 LYS 26 2.138 -8.887 9.272 202 H GLU 27 H GLU 27 0.831 -3.886 4.483 203 HA GLU 27 HA GLU 27 2.964 -2.241 3.638 204 HB2 GLU 27 HB2 GLU 27 0.979 -3.675 1.839 205 HB3 GLU 27 HB3 GLU 27 2.632 -3.226 1.443 206 HG2 GLU 27 HG2 GLU 27 1.804 -5.288 3.485 207 HG3 GLU 27 HG3 GLU 27 2.348 -5.645 1.858 208 H ALA 28 H ALA 28 -0.510 -2.124 3.049 209 HA ALA 28 HA ALA 28 -0.513 -0.001 1.180 210 HB1 ALA 28 HB1 ALA 28 -2.960 -0.054 1.443 211 HB2 ALA 28 HB2 ALA 28 -2.800 -1.086 2.869 212 HB3 ALA 28 HB3 ALA 28 -2.308 -1.681 1.281 213 H ARG 29 H ARG 29 -1.339 -0.135 4.665 214 HA ARG 29 HA ARG 29 -2.070 2.626 4.773 215 HB2 ARG 29 HB2 ARG 29 -2.400 2.352 7.131 216 HB3 ARG 29 HB3 ARG 29 -3.002 0.916 6.317 217 HG2 ARG 29 HG2 ARG 29 -0.813 -0.231 6.952 218 HG3 ARG 29 HG3 ARG 29 -0.463 1.177 7.956 219 HD2 ARG 29 HD2 ARG 29 -2.474 0.756 9.298 220 HD3 ARG 29 HD3 ARG 29 -2.924 -0.588 8.243 221 HE ARG 29 HE ARG 29 -0.441 -0.581 9.841 222 HH11 ARG 29 HH11 ARG 29 -3.371 -2.220 8.816 223 HH12 ARG 29 HH12 ARG 29 -2.983 -3.695 9.641 224 HH21 ARG 29 HH21 ARG 29 0.066 -2.509 10.920 225 HH22 ARG 29 HH22 ARG 29 -1.021 -3.863 10.843 226 H ARG 30 H ARG 30 0.954 0.901 5.454 227 HA ARG 30 HA ARG 30 2.232 3.163 6.664 228 HB2 ARG 30 HB2 ARG 30 3.381 0.588 5.526 229 HB3 ARG 30 HB3 ARG 30 4.397 1.844 6.223 230 HG2 ARG 30 HG2 ARG 30 2.162 0.477 7.750 231 HG3 ARG 30 HG3 ARG 30 3.825 -0.099 7.743 232 HD2 ARG 30 HD2 ARG 30 3.402 1.197 9.759 233 HD3 ARG 30 HD3 ARG 30 4.565 2.047 8.734 234 HE ARG 30 HE ARG 30 1.686 2.753 8.846 235 HH11 ARG 30 HH11 ARG 30 5.062 3.764 8.967 236 HH12 ARG 30 HH12 ARG 30 4.682 5.455 9.015 237 HH21 ARG 30 HH21 ARG 30 1.216 4.993 8.877 238 HH22 ARG 30 HH22 ARG 30 2.508 6.138 8.960 239 H THR 31 H THR 31 2.424 1.710 3.379 240 HA THR 31 HA THR 31 4.310 3.554 2.367 241 HB THR 31 HB THR 31 2.254 1.967 0.764 242 HG1 THR 31 HG1 THR 31 3.781 0.811 2.211 243 HG21 THR 31 HG21 THR 31 4.909 3.195 -0.096 244 HG22 THR 31 HG22 THR 31 3.308 3.749 -0.594 245 HG23 THR 31 HG23 THR 31 3.890 2.159 -1.093 246 H LYS 32 H LYS 32 0.745 3.634 2.341 247 HA LYS 32 HA LYS 32 0.366 5.945 0.753 248 HB2 LYS 32 HB2 LYS 32 -1.344 4.523 2.816 249 HB3 LYS 32 HB3 LYS 32 -1.905 6.030 2.113 250 HG2 LYS 32 HG2 LYS 32 -1.086 3.700 0.362 251 HG3 LYS 32 HG3 LYS 32 -2.699 3.793 1.059 252 HD2 LYS 32 HD2 LYS 32 -1.477 5.944 -0.728 253 HD3 LYS 32 HD3 LYS 32 -2.571 4.670 -1.280 254 HE2 LYS 32 HE2 LYS 32 -4.322 5.499 0.285 255 HE3 LYS 32 HE3 LYS 32 -3.240 6.802 0.780 256 HZ1 LYS 32 HZ1 LYS 32 -4.843 7.557 -0.854 257 HZ2 LYS 32 HZ2 LYS 32 -4.321 6.387 -1.959 258 HZ3 LYS 32 HZ3 LYS 32 -3.279 7.636 -1.495 259 H GLU 33 H GLU 33 0.411 5.591 4.352 260 HA GLU 33 HA GLU 33 -0.081 8.299 4.928 261 HB2 GLU 33 HB2 GLU 33 1.212 6.154 6.644 262 HB3 GLU 33 HB3 GLU 33 0.866 7.766 7.253 263 HG2 GLU 33 HG2 GLU 33 -1.142 5.733 6.263 264 HG3 GLU 33 HG3 GLU 33 -0.873 6.209 7.935 265 H GLU 34 H GLU 34 3.015 6.583 4.570 266 HA GLU 34 HA GLU 34 4.692 8.575 5.631 267 HB2 GLU 34 HB2 GLU 34 5.306 6.410 3.590 268 HB3 GLU 34 HB3 GLU 34 6.534 7.405 4.366 269 HG2 GLU 34 HG2 GLU 34 4.640 5.521 5.779 270 HG3 GLU 34 HG3 GLU 34 6.334 5.210 5.439 271 H GLU 35 H GLU 35 3.270 8.330 2.448 272 HA GLU 35 HA GLU 35 5.018 10.237 1.175 273 HB2 GLU 35 HB2 GLU 35 2.262 9.289 0.286 274 HB3 GLU 35 HB3 GLU 35 3.457 10.101 -0.720 275 HG2 GLU 35 HG2 GLU 35 3.747 7.350 0.507 276 HG3 GLU 35 HG3 GLU 35 3.346 7.679 -1.169 277 H CYS 36 H CYS 36 2.183 10.456 3.171 278 HA CYS 36 HA CYS 36 1.649 13.267 2.372 279 HB2 CYS 36 HB2 CYS 36 -0.213 11.286 3.741 280 HB3 CYS 36 HB3 CYS 36 -0.636 12.907 3.188 281 H ARG 37 H ARG 37 2.940 11.458 5.006 282 HA ARG 37 HA ARG 37 1.659 13.034 7.108 283 HB2 ARG 37 HB2 ARG 37 2.712 11.493 8.686 284 HB3 ARG 37 HB3 ARG 37 1.905 10.615 7.397 285 HG2 ARG 37 HG2 ARG 37 3.821 9.363 7.577 286 HG3 ARG 37 HG3 ARG 37 4.333 10.503 6.340 287 HD2 ARG 37 HD2 ARG 37 5.611 11.773 7.972 288 HD3 ARG 37 HD3 ARG 37 4.956 10.818 9.300 289 HE ARG 37 HE ARG 37 6.144 8.938 7.838 290 HH11 ARG 37 HH11 ARG 37 7.402 12.059 8.913 291 HH12 ARG 37 HH12 ARG 37 9.038 11.481 8.989 292 HH21 ARG 37 HH21 ARG 37 8.283 8.256 7.953 293 HH22 ARG 37 HH22 ARG 37 9.524 9.354 8.454 294 H LYS 38 H LYS 38 4.253 13.697 5.210 295 HA LYS 38 HA LYS 38 6.109 14.953 5.270 296 HB2 LYS 38 HB2 LYS 38 5.081 15.903 7.981 297 HB3 LYS 38 HB3 LYS 38 6.475 16.597 7.167 298 HG2 LYS 38 HG2 LYS 38 3.646 16.595 6.081 299 HG3 LYS 38 HG3 LYS 38 4.444 17.954 6.877 300 HD2 LYS 38 HD2 LYS 38 6.182 17.943 5.062 301 HD3 LYS 38 HD3 LYS 38 5.277 16.660 4.249 302 HE2 LYS 38 HE2 LYS 38 4.774 18.845 3.257 303 HE3 LYS 38 HE3 LYS 38 3.336 18.179 4.028 304 HZ1 LYS 38 HZ1 LYS 38 3.644 19.635 5.888 305 HZ2 LYS 38 HZ2 LYS 38 3.707 20.573 4.482 306 HZ3 LYS 38 HZ3 LYS 38 5.134 20.179 5.298 Start of MODEL 5 1 H1 GLN 1 H1 GLN 1 -4.987 -12.216 -5.361 2 H2 GLN 1 H2 GLN 1 -5.048 -10.929 -4.269 3 H3 GLN 1 H3 GLN 1 -3.596 -11.739 -4.536 4 HA GLN 1 HA GLN 1 -3.494 -10.979 -6.775 5 HB2 GLN 1 HB2 GLN 1 -6.126 -9.611 -6.081 6 HB3 GLN 1 HB3 GLN 1 -5.133 -9.078 -7.428 7 HG2 GLN 1 HG2 GLN 1 -6.910 -10.468 -8.271 8 HG3 GLN 1 HG3 GLN 1 -5.384 -11.309 -8.493 9 HE21 GLN 1 HE21 GLN 1 -4.988 -13.206 -7.308 10 HE22 GLN 1 HE22 GLN 1 -6.239 -14.039 -6.450 11 H CYS 2 H CYS 2 -2.200 -9.216 -7.141 12 HA CYS 2 HA CYS 2 -1.031 -7.926 -4.911 13 HB2 CYS 2 HB2 CYS 2 -0.747 -7.272 -7.873 14 HB3 CYS 2 HB3 CYS 2 0.357 -6.776 -6.592 15 H TYR 3 H TYR 3 -1.848 -6.229 -3.817 16 HA TYR 3 HA TYR 3 -4.123 -4.745 -4.689 17 HB2 TYR 3 HB2 TYR 3 -3.605 -5.363 -2.286 18 HB3 TYR 3 HB3 TYR 3 -2.336 -4.157 -2.293 19 HD1 TYR 3 HD2 TYR 3 -5.859 -4.015 -3.646 20 HD2 TYR 3 HD1 TYR 3 -3.065 -2.431 -0.807 21 HE1 TYR 3 HE2 TYR 3 -7.503 -2.338 -2.947 22 HE2 TYR 3 HE1 TYR 3 -4.724 -0.774 -0.103 23 HH TYR 3 HH TYR 3 -7.977 -0.980 -0.881 24 H THR 4 H THR 4 -3.944 -3.207 -6.200 25 HA THR 4 HA THR 4 -1.674 -1.361 -6.248 26 HB THR 4 HB THR 4 -3.962 -1.650 -8.251 27 HG1 THR 4 HG1 THR 4 -1.276 -2.600 -8.224 28 HG21 THR 4 HG21 THR 4 -1.323 -0.130 -8.459 29 HG22 THR 4 HG22 THR 4 -2.910 0.625 -8.283 30 HG23 THR 4 HG23 THR 4 -2.527 -0.290 -9.742 31 H PHE 5 H PHE 5 -1.837 0.522 -5.258 32 HA PHE 5 HA PHE 5 -4.374 1.976 -4.983 33 HB2 PHE 5 HB2 PHE 5 -3.692 2.538 -2.567 34 HB3 PHE 5 HB3 PHE 5 -4.258 0.896 -2.831 35 HD1 PHE 5 HD2 PHE 5 -2.469 -0.943 -3.152 36 HD2 PHE 5 HD1 PHE 5 -1.546 2.879 -1.474 37 HE1 PHE 5 HE2 PHE 5 -0.501 -1.904 -2.098 38 HE2 PHE 5 HE1 PHE 5 0.456 1.901 -0.412 39 HZ PHE 5 HZ PHE 5 0.971 -0.502 -0.717 40 H ARG 6 H ARG 6 -4.078 4.145 -5.252 41 HA ARG 6 HA ARG 6 -1.345 5.103 -5.846 42 HB2 ARG 6 HB2 ARG 6 -3.050 5.136 -7.708 43 HB3 ARG 6 HB3 ARG 6 -4.029 6.244 -6.755 44 HG2 ARG 6 HG2 ARG 6 -2.239 7.940 -6.867 45 HG3 ARG 6 HG3 ARG 6 -1.220 6.817 -7.770 46 HD2 ARG 6 HD2 ARG 6 -2.962 6.793 -9.582 47 HD3 ARG 6 HD3 ARG 6 -3.849 8.032 -8.688 48 HE ARG 6 HE ARG 6 -1.347 9.072 -8.971 49 HH11 ARG 6 HH11 ARG 6 -3.739 7.915 -11.279 50 HH12 ARG 6 HH12 ARG 6 -3.208 8.981 -12.538 51 HH21 ARG 6 HH21 ARG 6 -0.631 10.410 -10.667 52 HH22 ARG 6 HH22 ARG 6 -1.456 10.388 -12.193 53 H SER 7 H SER 7 -0.509 6.734 -4.629 54 HA SER 7 HA SER 7 -2.215 8.052 -2.597 55 HB2 SER 7 HB2 SER 7 -0.106 6.887 -1.806 56 HB3 SER 7 HB3 SER 7 0.837 8.015 -2.774 57 HG SER 7 HG SER 7 0.506 8.527 -0.466 58 H GLU 8 H GLU 8 -3.057 9.908 -3.350 59 HA GLU 8 HA GLU 8 -2.175 11.545 -5.447 60 HB2 GLU 8 HB2 GLU 8 -4.444 11.666 -4.351 61 HB3 GLU 8 HB3 GLU 8 -3.695 12.421 -2.951 62 HG2 GLU 8 HG2 GLU 8 -2.905 14.265 -4.590 63 HG3 GLU 8 HG3 GLU 8 -4.044 13.565 -5.736 64 H CYS 9 H CYS 9 -1.256 11.368 -2.099 65 HA CYS 9 HA CYS 9 -0.075 13.810 -1.530 66 HB2 CYS 9 HB2 CYS 9 0.794 11.086 -0.510 67 HB3 CYS 9 HB3 CYS 9 0.990 12.635 0.308 68 H THR 10 H THR 10 1.194 11.214 -3.479 69 HA THR 10 HA THR 10 3.850 12.508 -3.710 70 HB THR 10 HB THR 10 3.939 10.393 -2.303 71 HG1 THR 10 HG1 THR 10 5.745 9.607 -3.374 72 HG21 THR 10 HG21 THR 10 2.159 9.095 -3.443 73 HG22 THR 10 HG22 THR 10 3.680 8.207 -3.397 74 HG23 THR 10 HG23 THR 10 3.164 8.986 -4.894 75 H ASN 11 H ASN 11 1.017 11.318 -5.112 76 HA ASN 11 HA ASN 11 0.134 11.362 -7.155 77 HB2 ASN 11 HB2 ASN 11 1.604 13.253 -7.731 78 HB3 ASN 11 HB3 ASN 11 2.873 12.130 -8.176 79 HD21 ASN 11 HD21 ASN 11 3.032 12.747 -10.321 80 HD22 ASN 11 HD22 ASN 11 1.761 12.538 -11.476 81 H LYS 12 H LYS 12 3.027 9.422 -6.587 82 HA LYS 12 HA LYS 12 2.685 7.647 -8.808 83 HB2 LYS 12 HB2 LYS 12 4.410 7.517 -6.326 84 HB3 LYS 12 HB3 LYS 12 4.205 6.067 -7.296 85 HG2 LYS 12 HG2 LYS 12 6.204 7.012 -8.083 86 HG3 LYS 12 HG3 LYS 12 5.000 7.423 -9.300 87 HD2 LYS 12 HD2 LYS 12 6.405 9.354 -8.929 88 HD3 LYS 12 HD3 LYS 12 4.803 9.707 -8.273 89 HE2 LYS 12 HE2 LYS 12 5.652 9.148 -5.993 90 HE3 LYS 12 HE3 LYS 12 7.255 8.863 -6.683 91 HZ1 LYS 12 HZ1 LYS 12 6.961 11.082 -5.692 92 HZ2 LYS 12 HZ2 LYS 12 5.802 11.446 -6.862 93 HZ3 LYS 12 HZ3 LYS 12 7.397 11.132 -7.316 94 H GLU 13 H GLU 13 1.939 5.615 -8.912 95 HA GLU 13 HA GLU 13 0.028 4.656 -6.899 96 HB2 GLU 13 HB2 GLU 13 -0.634 3.009 -8.621 97 HB3 GLU 13 HB3 GLU 13 -0.746 4.659 -9.227 98 HG2 GLU 13 HG2 GLU 13 1.394 4.358 -10.437 99 HG3 GLU 13 HG3 GLU 13 1.497 2.697 -9.836 100 H PHE 14 H PHE 14 0.183 2.449 -6.143 101 HA PHE 14 HA PHE 14 2.877 1.230 -6.115 102 HB2 PHE 14 HB2 PHE 14 1.063 1.465 -3.670 103 HB3 PHE 14 HB3 PHE 14 2.712 0.844 -3.705 104 HD1 PHE 14 HD2 PHE 14 4.598 2.484 -4.362 105 HD2 PHE 14 HD1 PHE 14 0.662 3.759 -3.245 106 HE1 PHE 14 HE2 PHE 14 5.436 4.746 -3.929 107 HE2 PHE 14 HE1 PHE 14 1.526 6.006 -2.825 108 HZ PHE 14 HZ PHE 14 3.897 6.501 -3.162 109 H THR 15 H THR 15 2.859 -1.030 -5.802 110 HA THR 15 HA THR 15 0.284 -2.454 -5.779 111 HB THR 15 HB THR 15 2.516 -3.015 -7.786 112 HG1 THR 15 HG1 THR 15 1.325 -1.148 -8.371 113 HG21 THR 15 HG21 THR 15 -0.245 -4.255 -7.540 114 HG22 THR 15 HG22 THR 15 1.270 -5.045 -7.097 115 HG23 THR 15 HG23 THR 15 0.951 -4.632 -8.785 116 H VAL 16 H VAL 16 0.414 -4.035 -4.242 117 HA VAL 16 HA VAL 16 3.063 -5.136 -3.525 118 HB VAL 16 HB VAL 16 2.426 -3.397 -1.884 119 HG11 VAL 16 HG11 VAL 16 -0.029 -3.575 -1.927 120 HG12 VAL 16 HG12 VAL 16 0.587 -3.693 -0.278 121 HG13 VAL 16 HG13 VAL 16 0.058 -5.149 -1.127 122 HG21 VAL 16 HG21 VAL 16 3.877 -5.253 -1.188 123 HG22 VAL 16 HG22 VAL 16 2.468 -6.197 -0.700 124 HG23 VAL 16 HG23 VAL 16 2.875 -4.709 0.159 125 H CYS 17 H CYS 17 3.122 -7.220 -3.693 126 HA CYS 17 HA CYS 17 0.693 -8.855 -3.936 127 HB2 CYS 17 HB2 CYS 17 3.587 -9.582 -4.547 128 HB3 CYS 17 HB3 CYS 17 2.155 -10.506 -4.987 129 H ARG 18 H ARG 18 0.041 -9.449 -1.927 130 HA ARG 18 HA ARG 18 1.939 -10.872 -0.155 131 HB2 ARG 18 HB2 ARG 18 -0.120 -8.805 0.701 132 HB3 ARG 18 HB3 ARG 18 0.676 -9.894 1.822 133 HG2 ARG 18 HG2 ARG 18 2.073 -7.785 0.128 134 HG3 ARG 18 HG3 ARG 18 1.650 -7.626 1.838 135 HD2 ARG 18 HD2 ARG 18 3.056 -9.773 2.185 136 HD3 ARG 18 HD3 ARG 18 3.705 -9.451 0.573 137 HE ARG 18 HE ARG 18 4.236 -7.134 1.642 138 HH11 ARG 18 HH11 ARG 18 4.448 -10.225 3.295 139 HH12 ARG 18 HH12 ARG 18 5.687 -9.710 4.383 140 HH21 ARG 18 HH21 ARG 18 5.907 -6.467 3.104 141 HH22 ARG 18 HH22 ARG 18 6.512 -7.590 4.277 142 HA PRO 19 HA PRO 19 -1.338 -13.976 -0.613 143 HB2 PRO 19 HB2 PRO 19 -0.396 -15.843 1.181 144 HB3 PRO 19 HB3 PRO 19 0.362 -15.576 -0.405 145 HG2 PRO 19 HG2 PRO 19 1.189 -14.481 2.278 146 HG3 PRO 19 HG3 PRO 19 2.191 -15.232 1.013 147 HD2 PRO 19 HD2 PRO 19 2.041 -12.537 1.281 148 HD3 PRO 19 HD3 PRO 19 2.212 -13.303 -0.316 149 H ASN 20 H ASN 20 -0.489 -12.402 2.377 150 HA ASN 20 HA ASN 20 -3.091 -13.042 3.612 151 HB2 ASN 20 HB2 ASN 20 -0.624 -11.700 4.768 152 HB3 ASN 20 HB3 ASN 20 -2.135 -11.879 5.642 153 HD21 ASN 20 HD21 ASN 20 0.523 -12.903 6.277 154 HD22 ASN 20 HD22 ASN 20 0.324 -14.609 6.458 155 HA PRO 21 HA PRO 21 -4.465 -8.784 2.496 156 HB2 PRO 21 HB2 PRO 21 -6.777 -8.919 4.070 157 HB3 PRO 21 HB3 PRO 21 -6.681 -9.504 2.394 158 HG2 PRO 21 HG2 PRO 21 -6.461 -11.062 4.950 159 HG3 PRO 21 HG3 PRO 21 -7.322 -11.477 3.448 160 HD2 PRO 21 HD2 PRO 21 -4.909 -12.566 4.030 161 HD3 PRO 21 HD3 PRO 21 -5.361 -12.170 2.356 162 H GLU 22 H GLU 22 -4.065 -10.341 5.638 163 HA GLU 22 HA GLU 22 -3.864 -8.237 7.442 164 HB2 GLU 22 HB2 GLU 22 -3.680 -10.641 8.054 165 HB3 GLU 22 HB3 GLU 22 -2.132 -10.744 7.232 166 HG2 GLU 22 HG2 GLU 22 -1.287 -8.995 8.912 167 HG3 GLU 22 HG3 GLU 22 -2.785 -9.276 9.802 168 H GLU 23 H GLU 23 -1.312 -9.595 5.337 169 HA GLU 23 HA GLU 23 0.662 -7.665 6.076 170 HB2 GLU 23 HB2 GLU 23 0.542 -9.830 3.958 171 HB3 GLU 23 HB3 GLU 23 1.872 -8.672 3.977 172 HG2 GLU 23 HG2 GLU 23 1.134 -10.606 6.194 173 HG3 GLU 23 HG3 GLU 23 2.523 -10.713 5.110 174 H VAL 24 H VAL 24 -1.616 -7.962 3.334 175 HA VAL 24 HA VAL 24 -0.588 -5.928 1.693 176 HB VAL 24 HB VAL 24 -3.453 -6.904 2.052 177 HG11 VAL 24 HG11 VAL 24 -2.446 -4.804 0.083 178 HG12 VAL 24 HG12 VAL 24 -3.652 -4.579 1.355 179 HG13 VAL 24 HG13 VAL 24 -4.020 -5.605 -0.031 180 HG21 VAL 24 HG21 VAL 24 -1.948 -8.507 0.962 181 HG22 VAL 24 HG22 VAL 24 -1.429 -7.284 -0.202 182 HG23 VAL 24 HG23 VAL 24 -3.095 -7.878 -0.224 183 H GLU 25 H GLU 25 -3.125 -5.680 4.225 184 HA GLU 25 HA GLU 25 -3.483 -2.880 3.989 185 HB2 GLU 25 HB2 GLU 25 -4.821 -3.045 6.049 186 HB3 GLU 25 HB3 GLU 25 -5.231 -4.332 4.933 187 HG2 GLU 25 HG2 GLU 25 -5.040 -5.761 6.674 188 HG3 GLU 25 HG3 GLU 25 -3.303 -5.538 6.535 189 H LYS 26 H LYS 26 -1.294 -4.864 5.862 190 HA LYS 26 HA LYS 26 -0.321 -2.930 7.682 191 HB2 LYS 26 HB2 LYS 26 -0.011 -5.239 8.193 192 HB3 LYS 26 HB3 LYS 26 0.742 -5.568 6.641 193 HG2 LYS 26 HG2 LYS 26 2.758 -4.397 7.302 194 HG3 LYS 26 HG3 LYS 26 2.008 -3.882 8.818 195 HD2 LYS 26 HD2 LYS 26 2.042 -6.084 9.717 196 HD3 LYS 26 HD3 LYS 26 2.292 -6.824 8.134 197 HE2 LYS 26 HE2 LYS 26 4.341 -5.108 9.580 198 HE3 LYS 26 HE3 LYS 26 4.342 -6.875 9.553 199 HZ1 LYS 26 HZ1 LYS 26 4.626 -5.080 7.199 200 HZ2 LYS 26 HZ2 LYS 26 4.501 -6.762 7.117 201 HZ3 LYS 26 HZ3 LYS 26 5.831 -6.051 7.884 202 H GLU 27 H GLU 27 0.790 -3.918 4.443 203 HA GLU 27 HA GLU 27 3.067 -2.160 4.408 204 HB2 GLU 27 HB2 GLU 27 1.682 -3.523 2.051 205 HB3 GLU 27 HB3 GLU 27 3.291 -2.804 2.046 206 HG2 GLU 27 HG2 GLU 27 2.405 -5.298 3.522 207 HG3 GLU 27 HG3 GLU 27 3.453 -5.223 2.111 208 H ALA 28 H ALA 28 -0.255 -2.124 3.273 209 HA ALA 28 HA ALA 28 -0.111 0.099 1.540 210 HB1 ALA 28 HB1 ALA 28 -1.851 -1.632 1.323 211 HB2 ALA 28 HB2 ALA 28 -2.566 -0.026 1.470 212 HB3 ALA 28 HB3 ALA 28 -2.560 -1.117 2.859 213 H ARG 29 H ARG 29 -1.039 -0.262 4.946 214 HA ARG 29 HA ARG 29 -2.124 2.334 5.311 215 HB2 ARG 29 HB2 ARG 29 -2.141 1.852 7.702 216 HB3 ARG 29 HB3 ARG 29 -2.641 0.408 6.829 217 HG2 ARG 29 HG2 ARG 29 -0.257 -0.449 7.095 218 HG3 ARG 29 HG3 ARG 29 0.037 0.919 8.168 219 HD2 ARG 29 HD2 ARG 29 -1.793 0.077 9.656 220 HD3 ARG 29 HD3 ARG 29 -1.971 -1.328 8.595 221 HE ARG 29 HE ARG 29 0.708 -0.889 9.630 222 HH11 ARG 29 HH11 ARG 29 -2.321 -2.602 10.149 223 HH12 ARG 29 HH12 ARG 29 -1.598 -3.785 11.184 224 HH21 ARG 29 HH21 ARG 29 1.608 -2.453 11.015 225 HH22 ARG 29 HH22 ARG 29 0.606 -3.705 11.671 226 H ARG 30 H ARG 30 1.122 0.981 5.796 227 HA ARG 30 HA ARG 30 2.235 3.370 6.953 228 HB2 ARG 30 HB2 ARG 30 3.534 0.837 5.886 229 HB3 ARG 30 HB3 ARG 30 4.438 2.138 6.659 230 HG2 ARG 30 HG2 ARG 30 2.211 0.569 8.005 231 HG3 ARG 30 HG3 ARG 30 3.922 0.170 8.144 232 HD2 ARG 30 HD2 ARG 30 3.292 1.386 10.115 233 HD3 ARG 30 HD3 ARG 30 4.300 2.458 9.143 234 HE ARG 30 HE ARG 30 1.383 2.703 8.919 235 HH11 ARG 30 HH11 ARG 30 4.357 4.054 10.266 236 HH12 ARG 30 HH12 ARG 30 3.629 5.591 10.608 237 HH21 ARG 30 HH21 ARG 30 0.472 4.722 9.367 238 HH22 ARG 30 HH22 ARG 30 1.434 5.967 10.101 239 H THR 31 H THR 31 2.488 1.763 3.751 240 HA THR 31 HA THR 31 4.302 3.560 2.577 241 HB THR 31 HB THR 31 2.181 1.817 1.249 242 HG1 THR 31 HG1 THR 31 3.749 0.604 2.294 243 HG21 THR 31 HG21 THR 31 3.499 2.013 -0.842 244 HG22 THR 31 HG22 THR 31 4.537 3.216 -0.074 245 HG23 THR 31 HG23 THR 31 2.832 3.573 -0.358 246 H LYS 32 H LYS 32 0.721 3.542 2.462 247 HA LYS 32 HA LYS 32 0.281 5.763 0.858 248 HB2 LYS 32 HB2 LYS 32 -1.331 4.176 2.767 249 HB3 LYS 32 HB3 LYS 32 -1.877 5.837 2.669 250 HG2 LYS 32 HG2 LYS 32 -1.608 3.933 0.318 251 HG3 LYS 32 HG3 LYS 32 -3.110 4.332 1.155 252 HD2 LYS 32 HD2 LYS 32 -1.365 6.383 -0.284 253 HD3 LYS 32 HD3 LYS 32 -2.736 5.562 -1.027 254 HE2 LYS 32 HE2 LYS 32 -3.464 7.751 -0.327 255 HE3 LYS 32 HE3 LYS 32 -4.233 6.576 0.732 256 HZ1 LYS 32 HZ1 LYS 32 -3.390 8.569 1.890 257 HZ2 LYS 32 HZ2 LYS 32 -1.811 8.156 1.456 258 HZ3 LYS 32 HZ3 LYS 32 -2.699 7.145 2.481 259 H GLU 33 H GLU 33 0.487 5.664 4.414 260 HA GLU 33 HA GLU 33 0.055 8.484 4.728 261 HB2 GLU 33 HB2 GLU 33 0.993 6.411 6.741 262 HB3 GLU 33 HB3 GLU 33 0.471 8.038 7.139 263 HG2 GLU 33 HG2 GLU 33 -1.171 5.696 6.199 264 HG3 GLU 33 HG3 GLU 33 -1.394 6.693 7.631 265 H GLU 34 H GLU 34 2.886 6.467 4.415 266 HA GLU 34 HA GLU 34 4.814 8.261 5.501 267 HB2 GLU 34 HB2 GLU 34 5.179 5.815 5.203 268 HB3 GLU 34 HB3 GLU 34 5.209 6.043 3.457 269 HG2 GLU 34 HG2 GLU 34 7.250 7.322 3.584 270 HG3 GLU 34 HG3 GLU 34 7.170 7.384 5.345 271 H GLU 35 H GLU 35 3.516 7.692 2.287 272 HA GLU 35 HA GLU 35 5.049 9.659 0.890 273 HB2 GLU 35 HB2 GLU 35 2.359 8.410 0.198 274 HB3 GLU 35 HB3 GLU 35 3.391 9.309 -0.917 275 HG2 GLU 35 HG2 GLU 35 4.076 6.671 0.414 276 HG3 GLU 35 HG3 GLU 35 3.539 6.874 -1.242 277 H CYS 36 H CYS 36 2.201 9.757 2.897 278 HA CYS 36 HA CYS 36 1.415 12.459 2.057 279 HB2 CYS 36 HB2 CYS 36 0.147 10.590 4.094 280 HB3 CYS 36 HB3 CYS 36 -0.534 12.113 3.528 281 H ARG 37 H ARG 37 3.809 11.389 3.914 282 HA ARG 37 HA ARG 37 3.877 13.871 5.518 283 HB2 ARG 37 HB2 ARG 37 4.752 12.742 7.484 284 HB3 ARG 37 HB3 ARG 37 3.265 11.907 7.037 285 HG2 ARG 37 HG2 ARG 37 4.567 10.111 5.984 286 HG3 ARG 37 HG3 ARG 37 6.067 10.960 6.345 287 HD2 ARG 37 HD2 ARG 37 5.558 10.714 8.794 288 HD3 ARG 37 HD3 ARG 37 4.135 9.761 8.358 289 HE ARG 37 HE ARG 37 5.489 7.990 7.756 290 HH11 ARG 37 HH11 ARG 37 7.544 10.744 8.578 291 HH12 ARG 37 HH12 ARG 37 8.985 9.787 8.638 292 HH21 ARG 37 HH21 ARG 37 7.391 6.776 7.842 293 HH22 ARG 37 HH22 ARG 37 8.902 7.541 8.220 294 H LYS 38 H LYS 38 6.396 13.665 6.545 295 HA LYS 38 HA LYS 38 8.289 12.785 4.534 296 HB2 LYS 38 HB2 LYS 38 9.364 15.089 4.373 297 HB3 LYS 38 HB3 LYS 38 7.833 14.894 3.528 298 HG2 LYS 38 HG2 LYS 38 6.676 16.077 5.387 299 HG3 LYS 38 HG3 LYS 38 8.226 16.299 6.198 300 HD2 LYS 38 HD2 LYS 38 7.471 17.450 3.479 301 HD3 LYS 38 HD3 LYS 38 7.460 18.336 5.002 302 HE2 LYS 38 HE2 LYS 38 9.488 18.972 3.986 303 HE3 LYS 38 HE3 LYS 38 9.981 17.746 5.150 304 HZ1 LYS 38 HZ1 LYS 38 11.062 17.475 2.996 305 HZ2 LYS 38 HZ2 LYS 38 9.562 17.284 2.246 306 HZ3 LYS 38 HZ3 LYS 38 10.099 16.134 3.358 Start of MODEL 6 1 H1 GLN 1 H1 GLN 1 -2.421 -11.565 -3.096 2 H2 GLN 1 H2 GLN 1 -2.156 -11.901 -4.730 3 H3 GLN 1 H3 GLN 1 -3.593 -12.390 -3.987 4 HA GLN 1 HA GLN 1 -3.912 -10.454 -5.386 5 HB2 GLN 1 HB2 GLN 1 -4.258 -9.941 -2.402 6 HB3 GLN 1 HB3 GLN 1 -5.101 -9.065 -3.674 7 HG2 GLN 1 HG2 GLN 1 -5.364 -12.058 -3.257 8 HG3 GLN 1 HG3 GLN 1 -6.427 -10.871 -2.512 9 HE21 GLN 1 HE21 GLN 1 -8.233 -11.791 -3.559 10 HE22 GLN 1 HE22 GLN 1 -8.538 -11.535 -5.243 11 H CYS 2 H CYS 2 -2.322 -9.347 -6.389 12 HA CYS 2 HA CYS 2 -0.393 -7.673 -5.052 13 HB2 CYS 2 HB2 CYS 2 -1.163 -8.003 -7.974 14 HB3 CYS 2 HB3 CYS 2 0.110 -6.921 -7.419 15 H TYR 3 H TYR 3 -1.629 -6.305 -3.782 16 HA TYR 3 HA TYR 3 -3.944 -4.906 -4.710 17 HB2 TYR 3 HB2 TYR 3 -3.591 -5.599 -2.332 18 HB3 TYR 3 HB3 TYR 3 -2.296 -4.422 -2.196 19 HD1 TYR 3 HD2 TYR 3 -5.779 -4.271 -3.616 20 HD2 TYR 3 HD1 TYR 3 -3.002 -2.621 -0.806 21 HE1 TYR 3 HE2 TYR 3 -7.438 -2.593 -2.954 22 HE2 TYR 3 HE1 TYR 3 -4.679 -0.961 -0.137 23 HH TYR 3 HH TYR 3 -7.952 -1.172 -1.032 24 H THR 4 H THR 4 -4.033 -3.027 -5.736 25 HA THR 4 HA THR 4 -1.631 -1.334 -5.998 26 HB THR 4 HB THR 4 -4.119 -1.291 -7.768 27 HG1 THR 4 HG1 THR 4 -2.652 -3.346 -7.590 28 HG21 THR 4 HG21 THR 4 -2.641 0.715 -7.901 29 HG22 THR 4 HG22 THR 4 -2.606 -0.216 -9.396 30 HG23 THR 4 HG23 THR 4 -1.262 -0.335 -8.262 31 H PHE 5 H PHE 5 -1.649 0.592 -5.012 32 HA PHE 5 HA PHE 5 -4.112 2.058 -4.377 33 HB2 PHE 5 HB2 PHE 5 -3.160 2.444 -1.986 34 HB3 PHE 5 HB3 PHE 5 -3.906 0.889 -2.310 35 HD1 PHE 5 HD2 PHE 5 -2.405 -1.095 -2.823 36 HD2 PHE 5 HD1 PHE 5 -0.873 2.524 -1.161 37 HE1 PHE 5 HE2 PHE 5 -0.448 -2.312 -2.036 38 HE2 PHE 5 HE1 PHE 5 1.106 1.285 -0.370 39 HZ PHE 5 HZ PHE 5 1.308 -1.139 -0.795 40 H ARG 6 H ARG 6 -3.772 4.268 -4.339 41 HA ARG 6 HA ARG 6 -1.158 5.157 -5.425 42 HB2 ARG 6 HB2 ARG 6 -2.946 4.944 -7.147 43 HB3 ARG 6 HB3 ARG 6 -3.976 6.032 -6.222 44 HG2 ARG 6 HG2 ARG 6 -2.370 7.871 -6.580 45 HG3 ARG 6 HG3 ARG 6 -1.312 6.779 -7.477 46 HD2 ARG 6 HD2 ARG 6 -3.097 6.456 -9.164 47 HD3 ARG 6 HD3 ARG 6 -4.133 7.579 -8.273 48 HE ARG 6 HE ARG 6 -1.679 8.835 -8.883 49 HH11 ARG 6 HH11 ARG 6 -4.649 7.793 -10.488 50 HH12 ARG 6 HH12 ARG 6 -4.520 8.977 -11.750 51 HH21 ARG 6 HH21 ARG 6 -1.490 10.326 -10.605 52 HH22 ARG 6 HH22 ARG 6 -2.734 10.404 -11.815 53 H SER 7 H SER 7 -0.217 6.575 -4.094 54 HA SER 7 HA SER 7 -1.723 7.976 -2.035 55 HB2 SER 7 HB2 SER 7 0.486 7.069 -1.450 56 HB3 SER 7 HB3 SER 7 1.254 8.055 -2.691 57 HG SER 7 HG SER 7 0.705 8.707 -0.170 58 H GLU 8 H GLU 8 -2.508 9.943 -2.180 59 HA GLU 8 HA GLU 8 -2.456 11.588 -4.487 60 HB2 GLU 8 HB2 GLU 8 -3.177 12.342 -1.616 61 HB3 GLU 8 HB3 GLU 8 -3.604 13.263 -3.056 62 HG2 GLU 8 HG2 GLU 8 -5.042 11.427 -3.833 63 HG3 GLU 8 HG3 GLU 8 -4.574 10.461 -2.432 64 H CYS 9 H CYS 9 -0.385 11.316 -1.753 65 HA CYS 9 HA CYS 9 0.770 13.956 -1.800 66 HB2 CYS 9 HB2 CYS 9 1.679 11.464 -0.328 67 HB3 CYS 9 HB3 CYS 9 2.085 13.137 0.067 68 H THR 10 H THR 10 1.174 11.556 -3.972 69 HA THR 10 HA THR 10 3.815 12.450 -4.798 70 HB THR 10 HB THR 10 4.299 10.524 -3.284 71 HG1 THR 10 HG1 THR 10 5.658 9.447 -4.764 72 HG21 THR 10 HG21 THR 10 2.785 8.845 -5.314 73 HG22 THR 10 HG22 THR 10 2.248 9.203 -3.673 74 HG23 THR 10 HG23 THR 10 3.701 8.239 -3.928 75 H ASN 11 H ASN 11 0.714 11.198 -5.428 76 HA ASN 11 HA ASN 11 -0.586 10.950 -7.221 77 HB2 ASN 11 HB2 ASN 11 0.394 13.130 -7.925 78 HB3 ASN 11 HB3 ASN 11 1.665 12.283 -8.784 79 HD21 ASN 11 HD21 ASN 11 -1.793 12.940 -8.714 80 HD22 ASN 11 HD22 ASN 11 -2.082 12.651 -10.392 81 H LYS 12 H LYS 12 1.578 8.940 -6.482 82 HA LYS 12 HA LYS 12 1.768 7.378 -9.006 83 HB2 LYS 12 HB2 LYS 12 3.680 7.411 -6.627 84 HB3 LYS 12 HB3 LYS 12 3.851 6.389 -8.054 85 HG2 LYS 12 HG2 LYS 12 4.207 8.338 -9.470 86 HG3 LYS 12 HG3 LYS 12 3.893 9.420 -8.110 87 HD2 LYS 12 HD2 LYS 12 5.900 8.469 -6.939 88 HD3 LYS 12 HD3 LYS 12 6.235 7.488 -8.369 89 HE2 LYS 12 HE2 LYS 12 6.558 9.529 -9.706 90 HE3 LYS 12 HE3 LYS 12 6.154 10.527 -8.309 91 HZ1 LYS 12 HZ1 LYS 12 8.461 8.660 -8.429 92 HZ2 LYS 12 HZ2 LYS 12 8.109 9.747 -7.184 93 HZ3 LYS 12 HZ3 LYS 12 8.559 10.322 -8.706 94 H GLU 13 H GLU 13 1.325 5.204 -8.929 95 HA GLU 13 HA GLU 13 -0.205 4.206 -6.646 96 HB2 GLU 13 HB2 GLU 13 -0.916 2.363 -8.160 97 HB3 GLU 13 HB3 GLU 13 -1.305 3.955 -8.782 98 HG2 GLU 13 HG2 GLU 13 -0.625 2.681 -10.647 99 HG3 GLU 13 HG3 GLU 13 0.720 3.759 -10.290 100 H PHE 14 H PHE 14 0.146 2.071 -5.814 101 HA PHE 14 HA PHE 14 2.929 1.078 -5.876 102 HB2 PHE 14 HB2 PHE 14 1.272 1.505 -3.332 103 HB3 PHE 14 HB3 PHE 14 2.908 0.859 -3.409 104 HD1 PHE 14 HD2 PHE 14 4.825 2.364 -3.989 105 HD2 PHE 14 HD1 PHE 14 0.862 3.875 -3.407 106 HE1 PHE 14 HE2 PHE 14 5.710 4.648 -3.769 107 HE2 PHE 14 HE1 PHE 14 1.763 6.140 -3.195 108 HZ PHE 14 HZ PHE 14 4.172 6.529 -3.372 109 H THR 15 H THR 15 2.978 -1.111 -6.026 110 HA THR 15 HA THR 15 0.462 -2.640 -5.655 111 HB THR 15 HB THR 15 2.772 -3.218 -7.543 112 HG1 THR 15 HG1 THR 15 1.017 -1.367 -7.879 113 HG21 THR 15 HG21 THR 15 1.572 -5.272 -6.881 114 HG22 THR 15 HG22 THR 15 1.236 -4.878 -8.566 115 HG23 THR 15 HG23 THR 15 0.033 -4.524 -7.329 116 H VAL 16 H VAL 16 0.600 -3.889 -3.829 117 HA VAL 16 HA VAL 16 3.215 -5.108 -3.171 118 HB VAL 16 HB VAL 16 2.378 -3.406 -1.523 119 HG11 VAL 16 HG11 VAL 16 0.634 -3.965 0.111 120 HG12 VAL 16 HG12 VAL 16 0.270 -5.453 -0.766 121 HG13 VAL 16 HG13 VAL 16 -0.032 -3.889 -1.525 122 HG21 VAL 16 HG21 VAL 16 2.814 -6.210 -0.447 123 HG22 VAL 16 HG22 VAL 16 3.024 -4.720 0.475 124 HG23 VAL 16 HG23 VAL 16 4.069 -5.059 -0.906 125 H CYS 17 H CYS 17 3.307 -7.162 -3.534 126 HA CYS 17 HA CYS 17 0.889 -8.809 -3.850 127 HB2 CYS 17 HB2 CYS 17 3.764 -9.367 -4.709 128 HB3 CYS 17 HB3 CYS 17 2.357 -10.365 -5.082 129 H ARG 18 H ARG 18 0.618 -8.842 -1.500 130 HA ARG 18 HA ARG 18 2.505 -10.565 -0.032 131 HB2 ARG 18 HB2 ARG 18 0.073 -9.015 0.956 132 HB3 ARG 18 HB3 ARG 18 1.113 -10.003 1.969 133 HG2 ARG 18 HG2 ARG 18 1.983 -7.516 0.464 134 HG3 ARG 18 HG3 ARG 18 1.620 -7.600 2.188 135 HD2 ARG 18 HD2 ARG 18 3.497 -9.204 2.490 136 HD3 ARG 18 HD3 ARG 18 3.860 -9.082 0.764 137 HE ARG 18 HE ARG 18 3.859 -6.530 2.045 138 HH11 ARG 18 HH11 ARG 18 5.868 -9.383 1.551 139 HH12 ARG 18 HH12 ARG 18 7.354 -8.512 1.790 140 HH21 ARG 18 HH21 ARG 18 5.828 -5.409 2.339 141 HH22 ARG 18 HH22 ARG 18 7.332 -6.272 2.233 142 HA PRO 19 HA PRO 19 0.102 -14.303 -0.776 143 HB2 PRO 19 HB2 PRO 19 0.884 -14.961 2.064 144 HB3 PRO 19 HB3 PRO 19 1.065 -15.934 0.586 145 HG2 PRO 19 HG2 PRO 19 3.185 -14.727 1.625 146 HG3 PRO 19 HG3 PRO 19 2.945 -14.746 -0.139 147 HD2 PRO 19 HD2 PRO 19 2.474 -12.492 1.802 148 HD3 PRO 19 HD3 PRO 19 3.150 -12.451 0.155 149 H ASN 20 H ASN 20 -0.524 -12.353 2.119 150 HA ASN 20 HA ASN 20 -3.354 -13.203 2.069 151 HB2 ASN 20 HB2 ASN 20 -3.420 -13.323 4.550 152 HB3 ASN 20 HB3 ASN 20 -2.310 -14.500 3.873 153 HD21 ASN 20 HD21 ASN 20 -2.571 -11.580 5.719 154 HD22 ASN 20 HD22 ASN 20 -0.948 -11.580 6.316 155 HA PRO 21 HA PRO 21 -4.337 -8.873 2.107 156 HB2 PRO 21 HB2 PRO 21 -6.747 -8.857 3.507 157 HB3 PRO 21 HB3 PRO 21 -6.575 -9.392 1.823 158 HG2 PRO 21 HG2 PRO 21 -6.639 -11.062 4.317 159 HG3 PRO 21 HG3 PRO 21 -7.478 -11.316 2.768 160 HD2 PRO 21 HD2 PRO 21 -5.243 -12.682 3.337 161 HD3 PRO 21 HD3 PRO 21 -5.545 -12.088 1.686 162 H GLU 22 H GLU 22 -4.063 -10.489 5.233 163 HA GLU 22 HA GLU 22 -4.344 -8.279 6.972 164 HB2 GLU 22 HB2 GLU 22 -2.627 -10.786 7.332 165 HB3 GLU 22 HB3 GLU 22 -2.881 -9.592 8.597 166 HG2 GLU 22 HG2 GLU 22 -4.297 -11.569 8.908 167 HG3 GLU 22 HG3 GLU 22 -5.251 -10.109 8.674 168 H GLU 23 H GLU 23 -1.420 -9.690 5.461 169 HA GLU 23 HA GLU 23 0.443 -7.754 6.354 170 HB2 GLU 23 HB2 GLU 23 0.548 -9.483 3.844 171 HB3 GLU 23 HB3 GLU 23 1.892 -8.536 4.472 172 HG2 GLU 23 HG2 GLU 23 1.855 -9.924 6.548 173 HG3 GLU 23 HG3 GLU 23 0.581 -10.910 5.823 174 H VAL 24 H VAL 24 -1.557 -7.991 3.431 175 HA VAL 24 HA VAL 24 -0.586 -5.899 1.892 176 HB VAL 24 HB VAL 24 -3.396 -7.063 2.112 177 HG11 VAL 24 HG11 VAL 24 -2.471 -4.976 0.104 178 HG12 VAL 24 HG12 VAL 24 -3.739 -4.793 1.321 179 HG13 VAL 24 HG13 VAL 24 -3.968 -5.909 -0.024 180 HG21 VAL 24 HG21 VAL 24 -1.707 -8.573 1.168 181 HG22 VAL 24 HG22 VAL 24 -1.263 -7.364 -0.039 182 HG23 VAL 24 HG23 VAL 24 -2.869 -8.104 -0.076 183 H GLU 25 H GLU 25 -3.165 -5.790 4.375 184 HA GLU 25 HA GLU 25 -3.913 -3.072 4.023 185 HB2 GLU 25 HB2 GLU 25 -4.250 -4.896 6.450 186 HB3 GLU 25 HB3 GLU 25 -5.085 -3.363 6.217 187 HG2 GLU 25 HG2 GLU 25 -6.289 -4.224 4.304 188 HG3 GLU 25 HG3 GLU 25 -5.342 -5.707 4.318 189 H LYS 26 H LYS 26 -1.760 -4.704 6.296 190 HA LYS 26 HA LYS 26 -0.875 -2.569 7.867 191 HB2 LYS 26 HB2 LYS 26 -0.607 -4.967 8.368 192 HB3 LYS 26 HB3 LYS 26 0.491 -5.145 7.011 193 HG2 LYS 26 HG2 LYS 26 2.124 -3.656 8.186 194 HG3 LYS 26 HG3 LYS 26 1.003 -3.572 9.553 195 HD2 LYS 26 HD2 LYS 26 2.745 -5.251 9.981 196 HD3 LYS 26 HD3 LYS 26 1.157 -6.020 9.843 197 HE2 LYS 26 HE2 LYS 26 2.922 -7.304 8.670 198 HE3 LYS 26 HE3 LYS 26 1.678 -6.735 7.554 199 HZ1 LYS 26 HZ1 LYS 26 3.849 -6.392 6.615 200 HZ2 LYS 26 HZ2 LYS 26 4.365 -5.538 7.976 201 HZ3 LYS 26 HZ3 LYS 26 3.180 -4.884 6.970 202 H GLU 27 H GLU 27 0.218 -3.734 4.718 203 HA GLU 27 HA GLU 27 2.543 -2.060 4.504 204 HB2 GLU 27 HB2 GLU 27 1.042 -3.747 2.457 205 HB3 GLU 27 HB3 GLU 27 2.520 -2.867 2.098 206 HG2 GLU 27 HG2 GLU 27 2.246 -5.098 4.117 207 HG3 GLU 27 HG3 GLU 27 2.939 -5.254 2.505 208 H ALA 28 H ALA 28 -0.812 -1.995 3.418 209 HA ALA 28 HA ALA 28 -0.491 -0.124 1.321 210 HB1 ALA 28 HB1 ALA 28 -2.351 -1.742 1.392 211 HB2 ALA 28 HB2 ALA 28 -2.943 -0.090 1.227 212 HB3 ALA 28 HB3 ALA 28 -3.039 -0.915 2.788 213 H ARG 29 H ARG 29 -1.860 0.182 4.578 214 HA ARG 29 HA ARG 29 -2.497 2.916 4.453 215 HB2 ARG 29 HB2 ARG 29 -2.834 2.757 6.890 216 HB3 ARG 29 HB3 ARG 29 -3.531 1.375 6.054 217 HG2 ARG 29 HG2 ARG 29 -1.417 0.079 6.673 218 HG3 ARG 29 HG3 ARG 29 -0.993 1.436 7.717 219 HD2 ARG 29 HD2 ARG 29 -3.133 1.097 8.966 220 HD3 ARG 29 HD3 ARG 29 -3.482 -0.299 7.937 221 HE ARG 29 HE ARG 29 -0.947 -0.361 9.350 222 HH11 ARG 29 HH11 ARG 29 -4.331 -1.325 9.480 223 HH12 ARG 29 HH12 ARG 29 -4.044 -2.594 10.634 224 HH21 ARG 29 HH21 ARG 29 -0.576 -2.054 10.827 225 HH22 ARG 29 HH22 ARG 29 -1.923 -3.002 11.394 226 H ARG 30 H ARG 30 0.441 1.242 5.498 227 HA ARG 30 HA ARG 30 1.744 3.511 6.644 228 HB2 ARG 30 HB2 ARG 30 2.752 0.792 5.747 229 HB3 ARG 30 HB3 ARG 30 3.846 2.014 6.381 230 HG2 ARG 30 HG2 ARG 30 1.467 0.966 7.926 231 HG3 ARG 30 HG3 ARG 30 3.075 0.250 8.014 232 HD2 ARG 30 HD2 ARG 30 2.841 1.695 9.903 233 HD3 ARG 30 HD3 ARG 30 3.949 2.486 8.784 234 HE ARG 30 HE ARG 30 1.103 3.262 8.763 235 HH11 ARG 30 HH11 ARG 30 4.424 4.133 9.592 236 HH12 ARG 30 HH12 ARG 30 4.045 5.809 9.814 237 HH21 ARG 30 HH21 ARG 30 0.637 5.486 9.104 238 HH22 ARG 30 HH22 ARG 30 1.927 6.560 9.540 239 H THR 31 H THR 31 1.967 1.880 3.465 240 HA THR 31 HA THR 31 4.072 3.492 2.408 241 HB THR 31 HB THR 31 1.983 1.872 0.891 242 HG1 THR 31 HG1 THR 31 3.016 0.212 1.642 243 HG21 THR 31 HG21 THR 31 3.679 1.666 -0.888 244 HG22 THR 31 HG22 THR 31 4.778 2.701 0.019 245 HG23 THR 31 HG23 THR 31 3.279 3.370 -0.627 246 H LYS 32 H LYS 32 0.570 3.800 2.335 247 HA LYS 32 HA LYS 32 0.292 5.978 0.550 248 HB2 LYS 32 HB2 LYS 32 -1.419 4.948 2.844 249 HB3 LYS 32 HB3 LYS 32 -1.920 6.316 1.862 250 HG2 LYS 32 HG2 LYS 32 -1.326 3.557 0.729 251 HG3 LYS 32 HG3 LYS 32 -2.936 4.100 1.198 252 HD2 LYS 32 HD2 LYS 32 -1.178 5.359 -0.947 253 HD3 LYS 32 HD3 LYS 32 -2.585 4.321 -1.225 254 HE2 LYS 32 HE2 LYS 32 -2.598 7.089 0.032 255 HE3 LYS 32 HE3 LYS 32 -3.238 6.629 -1.539 256 HZ1 LYS 32 HZ1 LYS 32 -4.287 5.612 1.041 257 HZ2 LYS 32 HZ2 LYS 32 -4.929 5.341 -0.495 258 HZ3 LYS 32 HZ3 LYS 32 -4.954 6.895 0.164 259 H GLU 33 H GLU 33 0.485 5.841 4.104 260 HA GLU 33 HA GLU 33 0.540 8.667 4.506 261 HB2 GLU 33 HB2 GLU 33 1.249 6.393 6.398 262 HB3 GLU 33 HB3 GLU 33 1.093 8.078 6.876 263 HG2 GLU 33 HG2 GLU 33 -1.126 6.352 5.751 264 HG3 GLU 33 HG3 GLU 33 -0.909 6.773 7.443 265 H GLU 34 H GLU 34 2.981 6.310 3.837 266 HA GLU 34 HA GLU 34 5.315 7.417 4.901 267 HB2 GLU 34 HB2 GLU 34 5.106 5.151 3.838 268 HB3 GLU 34 HB3 GLU 34 4.982 5.919 2.260 269 HG2 GLU 34 HG2 GLU 34 7.220 5.053 2.552 270 HG3 GLU 34 HG3 GLU 34 7.288 6.814 2.547 271 H GLU 35 H GLU 35 3.768 7.904 1.771 272 HA GLU 35 HA GLU 35 5.607 9.803 0.711 273 HB2 GLU 35 HB2 GLU 35 2.723 9.276 -0.110 274 HB3 GLU 35 HB3 GLU 35 3.969 10.034 -1.097 275 HG2 GLU 35 HG2 GLU 35 3.970 7.157 -0.149 276 HG3 GLU 35 HG3 GLU 35 3.543 7.708 -1.765 277 H CYS 36 H CYS 36 2.969 10.079 2.904 278 HA CYS 36 HA CYS 36 2.503 12.935 2.402 279 HB2 CYS 36 HB2 CYS 36 1.050 11.024 4.282 280 HB3 CYS 36 HB3 CYS 36 0.517 12.638 3.809 281 H ARG 37 H ARG 37 4.300 10.903 4.542 282 HA ARG 37 HA ARG 37 4.303 12.882 6.727 283 HB2 ARG 37 HB2 ARG 37 5.078 11.177 8.217 284 HB3 ARG 37 HB3 ARG 37 3.810 10.445 7.255 285 HG2 ARG 37 HG2 ARG 37 5.291 8.707 7.174 286 HG3 ARG 37 HG3 ARG 37 5.932 9.609 5.804 287 HD2 ARG 37 HD2 ARG 37 7.614 10.660 7.393 288 HD3 ARG 37 HD3 ARG 37 7.006 9.587 8.655 289 HE ARG 37 HE ARG 37 7.729 8.007 6.480 290 HH11 ARG 37 HH11 ARG 37 9.356 10.083 8.828 291 HH12 ARG 37 HH12 ARG 37 10.846 9.201 8.749 292 HH21 ARG 37 HH21 ARG 37 9.703 6.900 6.362 293 HH22 ARG 37 HH22 ARG 37 11.046 7.396 7.350 294 H LYS 38 H LYS 38 6.244 13.595 7.633 295 HA LYS 38 HA LYS 38 8.564 13.703 5.803 296 HB2 LYS 38 HB2 LYS 38 7.487 15.754 7.792 297 HB3 LYS 38 HB3 LYS 38 9.131 15.840 7.181 298 HG2 LYS 38 HG2 LYS 38 7.767 17.373 5.915 299 HG3 LYS 38 HG3 LYS 38 8.233 16.038 4.860 300 HD2 LYS 38 HD2 LYS 38 5.975 15.018 5.220 301 HD3 LYS 38 HD3 LYS 38 5.523 16.411 6.198 302 HE2 LYS 38 HE2 LYS 38 5.660 17.886 4.289 303 HE3 LYS 38 HE3 LYS 38 6.388 16.618 3.295 304 HZ1 LYS 38 HZ1 LYS 38 3.629 16.541 4.413 305 HZ2 LYS 38 HZ2 LYS 38 4.336 15.363 3.431 306 HZ3 LYS 38 HZ3 LYS 38 4.027 16.904 2.813 Start of MODEL 7 1 H1 GLN 1 H1 GLN 1 -4.757 -9.319 -5.972 2 H2 GLN 1 H2 GLN 1 -4.938 -10.958 -6.334 3 H3 GLN 1 H3 GLN 1 -3.734 -10.053 -7.098 4 HA GLN 1 HA GLN 1 -3.875 -10.679 -4.212 5 HB2 GLN 1 HB2 GLN 1 -2.056 -11.723 -6.420 6 HB3 GLN 1 HB3 GLN 1 -1.694 -11.922 -4.715 7 HG2 GLN 1 HG2 GLN 1 -2.631 -13.981 -5.438 8 HG3 GLN 1 HG3 GLN 1 -3.863 -13.189 -4.464 9 HE21 GLN 1 HE21 GLN 1 -2.920 -14.103 -7.706 10 HE22 GLN 1 HE22 GLN 1 -4.479 -13.924 -8.418 11 H CYS 2 H CYS 2 -1.692 -9.487 -6.782 12 HA CYS 2 HA CYS 2 -0.159 -7.791 -5.047 13 HB2 CYS 2 HB2 CYS 2 -0.306 -7.837 -8.088 14 HB3 CYS 2 HB3 CYS 2 0.916 -7.015 -7.126 15 H TYR 3 H TYR 3 -1.297 -6.231 -4.077 16 HA TYR 3 HA TYR 3 -3.688 -5.073 -5.069 17 HB2 TYR 3 HB2 TYR 3 -3.105 -5.537 -2.664 18 HB3 TYR 3 HB3 TYR 3 -1.992 -4.183 -2.702 19 HD1 TYR 3 HD2 TYR 3 -5.586 -4.762 -3.730 20 HD2 TYR 3 HD1 TYR 3 -2.837 -2.295 -1.534 21 HE1 TYR 3 HE2 TYR 3 -7.439 -3.320 -3.009 22 HE2 TYR 3 HE1 TYR 3 -4.698 -0.884 -0.811 23 HH TYR 3 HH TYR 3 -6.969 -0.276 -1.627 24 H THR 4 H THR 4 -4.021 -3.204 -6.145 25 HA THR 4 HA THR 4 -1.826 -1.292 -6.570 26 HB THR 4 HB THR 4 -4.578 -1.312 -7.906 27 HG1 THR 4 HG1 THR 4 -3.772 -2.604 -9.399 28 HG21 THR 4 HG21 THR 4 -3.410 0.885 -7.971 29 HG22 THR 4 HG22 THR 4 -3.506 0.159 -9.574 30 HG23 THR 4 HG23 THR 4 -1.990 0.107 -8.673 31 H PHE 5 H PHE 5 -1.818 0.602 -5.518 32 HA PHE 5 HA PHE 5 -4.210 1.855 -4.434 33 HB2 PHE 5 HB2 PHE 5 -3.145 2.052 -2.117 34 HB3 PHE 5 HB3 PHE 5 -3.752 0.462 -2.546 35 HD1 PHE 5 HD2 PHE 5 -2.012 -1.263 -3.450 36 HD2 PHE 5 HD1 PHE 5 -0.895 2.242 -1.310 37 HE1 PHE 5 HE2 PHE 5 0.093 -2.314 -2.845 38 HE2 PHE 5 HE1 PHE 5 1.229 1.192 -0.701 39 HZ PHE 5 HZ PHE 5 1.716 -1.110 -1.463 40 H ARG 6 H ARG 6 -3.960 4.053 -4.244 41 HA ARG 6 HA ARG 6 -1.385 5.182 -5.191 42 HB2 ARG 6 HB2 ARG 6 -3.240 5.184 -6.896 43 HB3 ARG 6 HB3 ARG 6 -4.200 6.186 -5.810 44 HG2 ARG 6 HG2 ARG 6 -2.539 8.000 -5.977 45 HG3 ARG 6 HG3 ARG 6 -1.511 6.980 -6.988 46 HD2 ARG 6 HD2 ARG 6 -3.522 6.854 -8.595 47 HD3 ARG 6 HD3 ARG 6 -4.188 8.208 -7.677 48 HE ARG 6 HE ARG 6 -2.058 9.406 -8.270 49 HH11 ARG 6 HH11 ARG 6 -3.366 6.893 -10.349 50 HH12 ARG 6 HH12 ARG 6 -2.613 7.510 -11.781 51 HH21 ARG 6 HH21 ARG 6 -1.033 10.176 -10.162 52 HH22 ARG 6 HH22 ARG 6 -1.296 9.363 -11.665 53 H SER 7 H SER 7 -0.470 6.465 -3.679 54 HA SER 7 HA SER 7 -2.037 7.778 -1.616 55 HB2 SER 7 HB2 SER 7 0.205 7.045 -1.020 56 HB3 SER 7 HB3 SER 7 0.912 7.993 -2.314 57 HG SER 7 HG SER 7 0.853 8.877 -0.050 58 H GLU 8 H GLU 8 -2.636 9.863 -1.592 59 HA GLU 8 HA GLU 8 -2.990 11.154 -4.136 60 HB2 GLU 8 HB2 GLU 8 -3.800 12.128 -1.365 61 HB3 GLU 8 HB3 GLU 8 -4.475 12.651 -2.912 62 HG2 GLU 8 HG2 GLU 8 -5.377 10.366 -3.271 63 HG3 GLU 8 HG3 GLU 8 -4.715 9.858 -1.720 64 H CYS 9 H CYS 9 -1.055 11.654 -1.249 65 HA CYS 9 HA CYS 9 -0.239 14.352 -1.754 66 HB2 CYS 9 HB2 CYS 9 1.355 13.910 0.140 67 HB3 CYS 9 HB3 CYS 9 -0.318 13.521 0.517 68 H THR 10 H THR 10 0.775 11.397 -3.086 69 HA THR 10 HA THR 10 3.328 12.550 -4.058 70 HB THR 10 HB THR 10 3.659 10.473 -2.698 71 HG1 THR 10 HG1 THR 10 4.903 9.368 -4.303 72 HG21 THR 10 HG21 THR 10 1.526 9.335 -3.256 73 HG22 THR 10 HG22 THR 10 2.934 8.309 -3.525 74 HG23 THR 10 HG23 THR 10 2.116 9.057 -4.898 75 H ASN 11 H ASN 11 0.224 11.234 -4.797 76 HA ASN 11 HA ASN 11 -1.004 10.876 -6.644 77 HB2 ASN 11 HB2 ASN 11 -0.459 13.254 -7.023 78 HB3 ASN 11 HB3 ASN 11 1.009 12.801 -7.867 79 HD21 ASN 11 HD21 ASN 11 0.417 13.840 -9.763 80 HD22 ASN 11 HD22 ASN 11 -0.852 13.293 -10.798 81 H LYS 12 H LYS 12 0.622 8.848 -6.031 82 HA LYS 12 HA LYS 12 1.429 7.716 -8.617 83 HB2 LYS 12 HB2 LYS 12 3.463 8.809 -7.520 84 HB3 LYS 12 HB3 LYS 12 3.307 7.652 -6.205 85 HG2 LYS 12 HG2 LYS 12 5.035 6.974 -7.837 86 HG3 LYS 12 HG3 LYS 12 3.727 5.786 -7.732 87 HD2 LYS 12 HD2 LYS 12 2.724 6.664 -9.809 88 HD3 LYS 12 HD3 LYS 12 3.954 7.930 -9.899 89 HE2 LYS 12 HE2 LYS 12 5.688 6.268 -10.295 90 HE3 LYS 12 HE3 LYS 12 4.534 4.954 -10.037 91 HZ1 LYS 12 HZ1 LYS 12 3.331 5.610 -11.974 92 HZ2 LYS 12 HZ2 LYS 12 4.960 5.455 -12.402 93 HZ3 LYS 12 HZ3 LYS 12 4.290 6.983 -12.181 94 H GLU 13 H GLU 13 1.066 5.539 -8.775 95 HA GLU 13 HA GLU 13 -0.346 4.201 -6.582 96 HB2 GLU 13 HB2 GLU 13 0.117 3.254 -9.450 97 HB3 GLU 13 HB3 GLU 13 -0.971 2.518 -8.267 98 HG2 GLU 13 HG2 GLU 13 -2.279 4.647 -8.233 99 HG3 GLU 13 HG3 GLU 13 -1.236 5.274 -9.511 100 H PHE 14 H PHE 14 0.223 2.086 -5.927 101 HA PHE 14 HA PHE 14 3.029 1.236 -6.256 102 HB2 PHE 14 HB2 PHE 14 1.566 1.148 -3.586 103 HB3 PHE 14 HB3 PHE 14 3.284 0.915 -3.875 104 HD1 PHE 14 HD2 PHE 14 4.620 2.981 -4.720 105 HD2 PHE 14 HD1 PHE 14 0.734 3.243 -2.941 106 HE1 PHE 14 HE2 PHE 14 4.980 5.353 -4.246 107 HE2 PHE 14 HE1 PHE 14 1.112 5.609 -2.474 108 HZ PHE 14 HZ PHE 14 3.226 6.668 -3.126 109 H THR 15 H THR 15 3.250 -1.073 -5.471 110 HA THR 15 HA THR 15 0.818 -2.696 -5.642 111 HB THR 15 HB THR 15 3.239 -3.132 -7.428 112 HG1 THR 15 HG1 THR 15 0.760 -1.867 -7.803 113 HG21 THR 15 HG21 THR 15 2.158 -5.256 -6.810 114 HG22 THR 15 HG22 THR 15 1.865 -4.878 -8.511 115 HG23 THR 15 HG23 THR 15 0.591 -4.615 -7.315 116 H VAL 16 H VAL 16 0.848 -4.103 -3.981 117 HA VAL 16 HA VAL 16 3.405 -5.373 -3.195 118 HB VAL 16 HB VAL 16 2.862 -3.562 -1.555 119 HG11 VAL 16 HG11 VAL 16 0.396 -3.660 -1.587 120 HG12 VAL 16 HG12 VAL 16 1.023 -3.779 0.055 121 HG13 VAL 16 HG13 VAL 16 0.437 -5.225 -0.770 122 HG21 VAL 16 HG21 VAL 16 4.243 -5.477 -0.872 123 HG22 VAL 16 HG22 VAL 16 2.806 -6.375 -0.384 124 HG23 VAL 16 HG23 VAL 16 3.269 -4.911 0.488 125 H CYS 17 H CYS 17 3.296 -7.477 -3.203 126 HA CYS 17 HA CYS 17 0.726 -8.929 -3.135 127 HB2 CYS 17 HB2 CYS 17 2.952 -9.105 -4.961 128 HB3 CYS 17 HB3 CYS 17 2.896 -10.619 -4.072 129 H ARG 18 H ARG 18 0.363 -9.525 -1.104 130 HA ARG 18 HA ARG 18 2.498 -10.860 0.472 131 HB2 ARG 18 HB2 ARG 18 0.093 -9.270 1.469 132 HB3 ARG 18 HB3 ARG 18 1.208 -10.148 2.506 133 HG2 ARG 18 HG2 ARG 18 2.103 -7.874 0.696 134 HG3 ARG 18 HG3 ARG 18 1.526 -7.621 2.345 135 HD2 ARG 18 HD2 ARG 18 3.939 -7.678 2.384 136 HD3 ARG 18 HD3 ARG 18 3.336 -9.140 3.169 137 HE ARG 18 HE ARG 18 4.235 -9.153 0.352 138 HH11 ARG 18 HH11 ARG 18 4.537 -10.458 3.620 139 HH12 ARG 18 HH12 ARG 18 5.624 -11.717 3.123 140 HH21 ARG 18 HH21 ARG 18 5.610 -10.816 -0.245 141 HH22 ARG 18 HH22 ARG 18 6.223 -11.912 0.942 142 HA PRO 19 HA PRO 19 0.323 -14.699 0.179 143 HB2 PRO 19 HB2 PRO 19 0.549 -15.603 2.873 144 HB3 PRO 19 HB3 PRO 19 1.746 -15.842 1.587 145 HG2 PRO 19 HG2 PRO 19 1.662 -13.753 3.733 146 HG3 PRO 19 HG3 PRO 19 3.054 -14.633 3.060 147 HD2 PRO 19 HD2 PRO 19 2.586 -12.097 2.346 148 HD3 PRO 19 HD3 PRO 19 3.160 -13.277 1.145 149 H ASN 20 H ASN 20 -0.745 -12.441 2.636 150 HA ASN 20 HA ASN 20 -3.526 -13.374 2.313 151 HB2 ASN 20 HB2 ASN 20 -3.936 -12.886 4.755 152 HB3 ASN 20 HB3 ASN 20 -2.835 -14.229 4.490 153 HD21 ASN 20 HD21 ASN 20 -2.031 -14.009 6.614 154 HD22 ASN 20 HD22 ASN 20 -0.951 -12.728 7.040 155 HA PRO 21 HA PRO 21 -4.495 -9.020 1.572 156 HB2 PRO 21 HB2 PRO 21 -6.959 -9.343 3.259 157 HB3 PRO 21 HB3 PRO 21 -6.830 -8.883 1.548 158 HG2 PRO 21 HG2 PRO 21 -7.741 -11.296 2.242 159 HG3 PRO 21 HG3 PRO 21 -6.684 -11.093 0.824 160 HD2 PRO 21 HD2 PRO 21 -5.957 -12.074 3.584 161 HD3 PRO 21 HD3 PRO 21 -5.469 -12.716 1.999 162 H GLU 22 H GLU 22 -4.246 -10.293 4.786 163 HA GLU 22 HA GLU 22 -4.809 -8.028 6.381 164 HB2 GLU 22 HB2 GLU 22 -4.758 -10.368 7.218 165 HB3 GLU 22 HB3 GLU 22 -3.018 -10.420 6.956 166 HG2 GLU 22 HG2 GLU 22 -2.695 -8.667 8.663 167 HG3 GLU 22 HG3 GLU 22 -4.441 -8.596 8.926 168 H GLU 23 H GLU 23 -1.651 -9.434 5.445 169 HA GLU 23 HA GLU 23 0.012 -7.394 6.462 170 HB2 GLU 23 HB2 GLU 23 0.450 -9.380 4.201 171 HB3 GLU 23 HB3 GLU 23 1.721 -8.331 4.835 172 HG2 GLU 23 HG2 GLU 23 1.656 -9.436 6.973 173 HG3 GLU 23 HG3 GLU 23 0.224 -10.370 6.495 174 H VAL 24 H VAL 24 -1.576 -7.863 3.313 175 HA VAL 24 HA VAL 24 -0.379 -5.817 1.829 176 HB VAL 24 HB VAL 24 -3.258 -6.823 1.640 177 HG11 VAL 24 HG11 VAL 24 -3.307 -5.809 -0.626 178 HG12 VAL 24 HG12 VAL 24 -1.722 -5.082 -0.334 179 HG13 VAL 24 HG13 VAL 24 -3.117 -4.592 0.634 180 HG21 VAL 24 HG21 VAL 24 -2.470 -8.126 -0.304 181 HG22 VAL 24 HG22 VAL 24 -1.597 -8.577 1.163 182 HG23 VAL 24 HG23 VAL 24 -0.824 -7.541 -0.041 183 H GLU 25 H GLU 25 -3.319 -5.692 3.891 184 HA GLU 25 HA GLU 25 -3.989 -2.993 3.549 185 HB2 GLU 25 HB2 GLU 25 -4.451 -4.839 5.934 186 HB3 GLU 25 HB3 GLU 25 -5.178 -3.238 5.791 187 HG2 GLU 25 HG2 GLU 25 -5.638 -5.579 3.910 188 HG3 GLU 25 HG3 GLU 25 -6.751 -5.021 5.161 189 H LYS 26 H LYS 26 -1.850 -4.565 5.874 190 HA LYS 26 HA LYS 26 -1.278 -2.290 7.474 191 HB2 LYS 26 HB2 LYS 26 0.234 -4.914 7.136 192 HB3 LYS 26 HB3 LYS 26 0.587 -3.710 8.383 193 HG2 LYS 26 HG2 LYS 26 -1.677 -4.014 9.326 194 HG3 LYS 26 HG3 LYS 26 -2.046 -5.202 8.071 195 HD2 LYS 26 HD2 LYS 26 -1.467 -6.325 10.169 196 HD3 LYS 26 HD3 LYS 26 -0.258 -6.680 8.932 197 HE2 LYS 26 HE2 LYS 26 1.266 -5.022 9.935 198 HE3 LYS 26 HE3 LYS 26 0.037 -4.604 11.132 199 HZ1 LYS 26 HZ1 LYS 26 1.238 -7.293 10.839 200 HZ2 LYS 26 HZ2 LYS 26 0.182 -6.786 12.054 201 HZ3 LYS 26 HZ3 LYS 26 1.740 -6.139 11.965 202 H GLU 27 H GLU 27 0.308 -3.683 4.623 203 HA GLU 27 HA GLU 27 2.609 -1.958 4.744 204 HB2 GLU 27 HB2 GLU 27 1.611 -3.845 2.574 205 HB3 GLU 27 HB3 GLU 27 3.090 -2.892 2.423 206 HG2 GLU 27 HG2 GLU 27 2.517 -5.076 4.451 207 HG3 GLU 27 HG3 GLU 27 3.628 -5.167 3.084 208 H ALA 28 H ALA 28 -0.490 -2.014 3.117 209 HA ALA 28 HA ALA 28 0.115 -0.137 1.073 210 HB1 ALA 28 HB1 ALA 28 -2.279 -0.222 0.508 211 HB2 ALA 28 HB2 ALA 28 -2.610 -1.081 2.020 212 HB3 ALA 28 HB3 ALA 28 -1.629 -1.846 0.771 213 H ARG 29 H ARG 29 -1.487 0.091 4.241 214 HA ARG 29 HA ARG 29 -2.217 2.821 4.030 215 HB2 ARG 29 HB2 ARG 29 -2.489 2.810 6.474 216 HB3 ARG 29 HB3 ARG 29 -3.272 1.421 5.737 217 HG2 ARG 29 HG2 ARG 29 -1.688 -0.103 6.615 218 HG3 ARG 29 HG3 ARG 29 -0.502 1.160 6.930 219 HD2 ARG 29 HD2 ARG 29 -3.107 0.744 8.436 220 HD3 ARG 29 HD3 ARG 29 -1.480 0.372 9.030 221 HE ARG 29 HE ARG 29 -1.512 3.045 8.249 222 HH11 ARG 29 HH11 ARG 29 -2.929 1.104 10.800 223 HH12 ARG 29 HH12 ARG 29 -3.030 2.436 11.902 224 HH21 ARG 29 HH21 ARG 29 -1.682 4.775 9.671 225 HH22 ARG 29 HH22 ARG 29 -2.322 4.521 11.264 226 H ARG 30 H ARG 30 0.706 1.185 5.281 227 HA ARG 30 HA ARG 30 1.886 3.522 6.427 228 HB2 ARG 30 HB2 ARG 30 3.197 0.878 5.667 229 HB3 ARG 30 HB3 ARG 30 3.935 2.122 6.671 230 HG2 ARG 30 HG2 ARG 30 1.510 0.443 7.340 231 HG3 ARG 30 HG3 ARG 30 3.112 0.320 8.064 232 HD2 ARG 30 HD2 ARG 30 2.809 2.557 9.065 233 HD3 ARG 30 HD3 ARG 30 1.209 2.683 8.315 234 HE ARG 30 HE ARG 30 1.194 0.329 9.767 235 HH11 ARG 30 HH11 ARG 30 1.637 3.720 10.564 236 HH12 ARG 30 HH12 ARG 30 0.978 3.547 12.157 237 HH21 ARG 30 HH21 ARG 30 0.296 0.143 11.839 238 HH22 ARG 30 HH22 ARG 30 0.219 1.525 12.878 239 H THR 31 H THR 31 2.343 1.788 3.347 240 HA THR 31 HA THR 31 4.541 3.207 2.332 241 HB THR 31 HB THR 31 2.228 1.954 0.780 242 HG1 THR 31 HG1 THR 31 3.806 0.705 2.274 243 HG21 THR 31 HG21 THR 31 5.008 2.683 -0.225 244 HG22 THR 31 HG22 THR 31 3.506 3.494 -0.678 245 HG23 THR 31 HG23 THR 31 3.770 1.811 -1.136 246 H LYS 32 H LYS 32 1.050 3.856 2.052 247 HA LYS 32 HA LYS 32 1.331 6.122 0.340 248 HB2 LYS 32 HB2 LYS 32 -1.054 5.115 1.938 249 HB3 LYS 32 HB3 LYS 32 -1.117 6.439 0.769 250 HG2 LYS 32 HG2 LYS 32 -0.199 4.743 -0.949 251 HG3 LYS 32 HG3 LYS 32 -0.590 3.490 0.234 252 HD2 LYS 32 HD2 LYS 32 -2.565 5.453 -1.003 253 HD3 LYS 32 HD3 LYS 32 -2.326 3.781 -1.508 254 HE2 LYS 32 HE2 LYS 32 -4.254 3.709 -0.161 255 HE3 LYS 32 HE3 LYS 32 -2.976 3.142 0.910 256 HZ1 LYS 32 HZ1 LYS 32 -2.911 5.268 1.966 257 HZ2 LYS 32 HZ2 LYS 32 -4.521 4.760 1.928 258 HZ3 LYS 32 HZ3 LYS 32 -3.976 5.936 0.840 259 H GLU 33 H GLU 33 0.849 5.743 3.863 260 HA GLU 33 HA GLU 33 0.529 8.515 4.462 261 HB2 GLU 33 HB2 GLU 33 1.271 6.113 6.173 262 HB3 GLU 33 HB3 GLU 33 1.167 7.734 6.858 263 HG2 GLU 33 HG2 GLU 33 -1.175 7.903 6.314 264 HG3 GLU 33 HG3 GLU 33 -1.117 6.410 5.378 265 H GLU 34 H GLU 34 3.314 6.472 3.967 266 HA GLU 34 HA GLU 34 5.289 8.079 5.259 267 HB2 GLU 34 HB2 GLU 34 5.462 5.573 4.624 268 HB3 GLU 34 HB3 GLU 34 5.838 6.112 2.998 269 HG2 GLU 34 HG2 GLU 34 7.935 5.677 4.034 270 HG3 GLU 34 HG3 GLU 34 7.781 7.433 3.987 271 H GLU 35 H GLU 35 3.951 7.923 2.030 272 HA GLU 35 HA GLU 35 5.670 9.700 0.666 273 HB2 GLU 35 HB2 GLU 35 2.699 9.154 0.192 274 HB3 GLU 35 HB3 GLU 35 3.799 9.912 -0.963 275 HG2 GLU 35 HG2 GLU 35 4.033 7.057 0.062 276 HG3 GLU 35 HG3 GLU 35 3.293 7.530 -1.464 277 H CYS 36 H CYS 36 2.872 10.162 2.750 278 HA CYS 36 HA CYS 36 2.535 12.980 2.175 279 HB2 CYS 36 HB2 CYS 36 1.216 11.216 4.277 280 HB3 CYS 36 HB3 CYS 36 0.704 12.845 3.836 281 H ARG 37 H ARG 37 4.952 11.566 3.800 282 HA ARG 37 HA ARG 37 5.513 13.928 5.435 283 HB2 ARG 37 HB2 ARG 37 6.022 12.587 7.460 284 HB3 ARG 37 HB3 ARG 37 4.323 12.474 7.006 285 HG2 ARG 37 HG2 ARG 37 4.636 10.250 6.098 286 HG3 ARG 37 HG3 ARG 37 6.386 10.350 6.311 287 HD2 ARG 37 HD2 ARG 37 4.364 10.407 8.575 288 HD3 ARG 37 HD3 ARG 37 5.236 8.965 8.038 289 HE ARG 37 HE ARG 37 7.116 10.977 8.598 290 HH11 ARG 37 HH11 ARG 37 4.849 8.939 10.351 291 HH12 ARG 37 HH12 ARG 37 5.779 8.948 11.807 292 HH21 ARG 37 HH21 ARG 37 8.323 10.969 10.518 293 HH22 ARG 37 HH22 ARG 37 7.748 10.101 11.901 294 H LYS 38 H LYS 38 6.636 12.433 2.994 295 HA LYS 38 HA LYS 38 9.150 11.316 3.801 296 HB2 LYS 38 HB2 LYS 38 9.725 11.178 1.429 297 HB3 LYS 38 HB3 LYS 38 8.110 10.545 1.731 298 HG2 LYS 38 HG2 LYS 38 7.085 12.500 0.734 299 HG3 LYS 38 HG3 LYS 38 8.641 13.327 0.624 300 HD2 LYS 38 HD2 LYS 38 7.973 12.468 -1.579 301 HD3 LYS 38 HD3 LYS 38 9.432 11.648 -1.019 302 HE2 LYS 38 HE2 LYS 38 8.099 9.693 -0.366 303 HE3 LYS 38 HE3 LYS 38 6.618 10.539 -0.818 304 HZ1 LYS 38 HZ1 LYS 38 8.799 9.749 -2.662 305 HZ2 LYS 38 HZ2 LYS 38 7.412 10.606 -3.104 306 HZ3 LYS 38 HZ3 LYS 38 7.277 9.014 -2.534 Start of MODEL 8 1 H1 GLN 1 H1 GLN 1 -2.960 -11.426 -3.002 2 H2 GLN 1 H2 GLN 1 -4.494 -11.891 -3.541 3 H3 GLN 1 H3 GLN 1 -4.277 -10.383 -2.809 4 HA GLN 1 HA GLN 1 -3.085 -11.242 -5.380 5 HB2 GLN 1 HB2 GLN 1 -5.593 -10.863 -5.373 6 HB3 GLN 1 HB3 GLN 1 -5.307 -9.209 -4.852 7 HG2 GLN 1 HG2 GLN 1 -4.073 -8.790 -6.975 8 HG3 GLN 1 HG3 GLN 1 -4.441 -10.440 -7.486 9 HE21 GLN 1 HE21 GLN 1 -6.604 -10.972 -7.992 10 HE22 GLN 1 HE22 GLN 1 -7.778 -9.756 -8.357 11 H CYS 2 H CYS 2 -1.973 -9.471 -6.487 12 HA CYS 2 HA CYS 2 -0.392 -7.768 -4.830 13 HB2 CYS 2 HB2 CYS 2 -0.724 -7.810 -7.856 14 HB3 CYS 2 HB3 CYS 2 0.505 -6.896 -6.980 15 H TYR 3 H TYR 3 -1.611 -6.354 -3.690 16 HA TYR 3 HA TYR 3 -3.891 -4.955 -4.669 17 HB2 TYR 3 HB2 TYR 3 -3.422 -5.587 -2.253 18 HB3 TYR 3 HB3 TYR 3 -2.241 -4.293 -2.197 19 HD1 TYR 3 HD2 TYR 3 -5.811 -4.673 -3.362 20 HD2 TYR 3 HD1 TYR 3 -3.028 -2.370 -1.065 21 HE1 TYR 3 HE2 TYR 3 -7.610 -3.133 -2.710 22 HE2 TYR 3 HE1 TYR 3 -4.828 -0.850 -0.411 23 HH TYR 3 HH TYR 3 -8.087 -1.527 -0.869 24 H THR 4 H THR 4 -3.940 -3.171 -5.852 25 HA THR 4 HA THR 4 -1.586 -1.405 -6.072 26 HB THR 4 HB THR 4 -3.935 -1.657 -8.010 27 HG1 THR 4 HG1 THR 4 -2.446 -3.563 -7.649 28 HG21 THR 4 HG21 THR 4 -1.156 -0.436 -8.364 29 HG22 THR 4 HG22 THR 4 -2.658 0.480 -8.199 30 HG23 THR 4 HG23 THR 4 -2.403 -0.553 -9.604 31 H PHE 5 H PHE 5 -1.777 0.695 -5.430 32 HA PHE 5 HA PHE 5 -4.348 1.956 -4.872 33 HB2 PHE 5 HB2 PHE 5 -3.565 2.462 -2.454 34 HB3 PHE 5 HB3 PHE 5 -4.150 0.839 -2.775 35 HD1 PHE 5 HD2 PHE 5 -2.496 -1.031 -3.073 36 HD2 PHE 5 HD1 PHE 5 -1.290 2.783 -1.604 37 HE1 PHE 5 HE2 PHE 5 -0.493 -2.050 -2.141 38 HE2 PHE 5 HE1 PHE 5 0.746 1.759 -0.660 39 HZ PHE 5 HZ PHE 5 1.130 -0.675 -0.918 40 H ARG 6 H ARG 6 -4.220 4.162 -4.969 41 HA ARG 6 HA ARG 6 -1.602 5.239 -5.822 42 HB2 ARG 6 HB2 ARG 6 -3.330 5.207 -7.575 43 HB3 ARG 6 HB3 ARG 6 -4.408 6.176 -6.573 44 HG2 ARG 6 HG2 ARG 6 -2.918 8.088 -6.703 45 HG3 ARG 6 HG3 ARG 6 -1.671 7.131 -7.508 46 HD2 ARG 6 HD2 ARG 6 -3.125 6.880 -9.487 47 HD3 ARG 6 HD3 ARG 6 -4.404 7.782 -8.669 48 HE ARG 6 HE ARG 6 -3.207 9.750 -8.926 49 HH11 ARG 6 HH11 ARG 6 -1.388 7.081 -10.321 50 HH12 ARG 6 HH12 ARG 6 -0.325 8.125 -11.213 51 HH21 ARG 6 HH21 ARG 6 -1.833 11.087 -10.089 52 HH22 ARG 6 HH22 ARG 6 -0.583 10.395 -11.073 53 H SER 7 H SER 7 -0.649 6.594 -4.526 54 HA SER 7 HA SER 7 -2.098 8.094 -2.468 55 HB2 SER 7 HB2 SER 7 0.141 6.907 -2.046 56 HB3 SER 7 HB3 SER 7 0.898 8.151 -3.039 57 HG SER 7 HG SER 7 1.020 8.959 -1.040 58 H GLU 8 H GLU 8 -2.937 10.003 -3.030 59 HA GLU 8 HA GLU 8 -2.196 11.675 -5.181 60 HB2 GLU 8 HB2 GLU 8 -3.470 12.472 -2.513 61 HB3 GLU 8 HB3 GLU 8 -3.409 13.474 -3.961 62 HG2 GLU 8 HG2 GLU 8 -4.783 11.719 -5.159 63 HG3 GLU 8 HG3 GLU 8 -4.930 10.872 -3.621 64 H CYS 9 H CYS 9 -1.124 11.437 -1.848 65 HA CYS 9 HA CYS 9 0.870 13.489 -1.888 66 HB2 CYS 9 HB2 CYS 9 0.806 11.010 -0.114 67 HB3 CYS 9 HB3 CYS 9 1.563 12.560 0.239 68 H THR 10 H THR 10 2.247 13.269 -3.569 69 HA THR 10 HA THR 10 4.324 12.691 -4.400 70 HB THR 10 HB THR 10 4.450 10.530 -2.829 71 HG1 THR 10 HG1 THR 10 6.082 11.598 -4.336 72 HG21 THR 10 HG21 THR 10 2.821 9.124 -4.114 73 HG22 THR 10 HG22 THR 10 4.433 8.409 -4.058 74 HG23 THR 10 HG23 THR 10 3.881 9.219 -5.524 75 H ASN 11 H ASN 11 1.272 11.142 -5.050 76 HA ASN 11 HA ASN 11 -0.078 11.211 -6.849 77 HB2 ASN 11 HB2 ASN 11 1.064 13.535 -7.109 78 HB3 ASN 11 HB3 ASN 11 2.014 12.806 -8.395 79 HD21 ASN 11 HD21 ASN 11 0.947 12.260 -10.355 80 HD22 ASN 11 HD22 ASN 11 -0.617 12.888 -10.746 81 H LYS 12 H LYS 12 1.721 9.028 -6.415 82 HA LYS 12 HA LYS 12 1.461 7.770 -9.088 83 HB2 LYS 12 HB2 LYS 12 3.744 7.235 -7.116 84 HB3 LYS 12 HB3 LYS 12 3.374 6.213 -8.496 85 HG2 LYS 12 HG2 LYS 12 5.107 7.456 -9.365 86 HG3 LYS 12 HG3 LYS 12 3.739 8.441 -9.889 87 HD2 LYS 12 HD2 LYS 12 4.100 9.929 -7.913 88 HD3 LYS 12 HD3 LYS 12 5.493 8.948 -7.451 89 HE2 LYS 12 HE2 LYS 12 6.574 9.534 -9.627 90 HE3 LYS 12 HE3 LYS 12 5.205 10.590 -9.988 91 HZ1 LYS 12 HZ1 LYS 12 7.121 10.873 -7.740 92 HZ2 LYS 12 HZ2 LYS 12 5.735 11.823 -7.928 93 HZ3 LYS 12 HZ3 LYS 12 6.969 11.887 -9.083 94 H GLU 13 H GLU 13 1.252 5.388 -8.923 95 HA GLU 13 HA GLU 13 -0.114 4.514 -6.439 96 HB2 GLU 13 HB2 GLU 13 -1.133 2.675 -7.797 97 HB3 GLU 13 HB3 GLU 13 -1.663 4.279 -8.257 98 HG2 GLU 13 HG2 GLU 13 0.475 2.771 -9.764 99 HG3 GLU 13 HG3 GLU 13 -1.241 2.626 -10.139 100 H PHE 14 H PHE 14 0.248 2.399 -5.710 101 HA PHE 14 HA PHE 14 2.939 1.303 -6.211 102 HB2 PHE 14 HB2 PHE 14 1.562 1.495 -3.482 103 HB3 PHE 14 HB3 PHE 14 3.215 0.977 -3.807 104 HD1 PHE 14 HD2 PHE 14 4.941 2.659 -4.539 105 HD2 PHE 14 HD1 PHE 14 1.003 3.847 -3.331 106 HE1 PHE 14 HE2 PHE 14 5.707 4.984 -4.295 107 HE2 PHE 14 HE1 PHE 14 1.787 6.162 -3.107 108 HZ PHE 14 HZ PHE 14 4.130 6.729 -3.583 109 H THR 15 H THR 15 3.115 -0.979 -5.835 110 HA THR 15 HA THR 15 0.567 -2.471 -5.633 111 HB THR 15 HB THR 15 2.797 -3.057 -7.626 112 HG1 THR 15 HG1 THR 15 0.340 -1.667 -7.859 113 HG21 THR 15 HG21 THR 15 1.202 -4.657 -8.634 114 HG22 THR 15 HG22 THR 15 0.034 -4.311 -7.357 115 HG23 THR 15 HG23 THR 15 1.563 -5.101 -6.965 116 H VAL 16 H VAL 16 0.704 -3.892 -4.005 117 HA VAL 16 HA VAL 16 3.346 -4.964 -3.233 118 HB VAL 16 HB VAL 16 2.548 -3.201 -1.669 119 HG11 VAL 16 HG11 VAL 16 0.705 -3.596 -0.095 120 HG12 VAL 16 HG12 VAL 16 0.303 -5.104 -0.919 121 HG13 VAL 16 HG13 VAL 16 0.117 -3.565 -1.760 122 HG21 VAL 16 HG21 VAL 16 3.053 -4.435 0.400 123 HG22 VAL 16 HG22 VAL 16 4.109 -4.944 -0.916 124 HG23 VAL 16 HG23 VAL 16 2.755 -5.966 -0.427 125 H CYS 17 H CYS 17 3.463 -7.037 -3.460 126 HA CYS 17 HA CYS 17 1.067 -8.712 -3.735 127 HB2 CYS 17 HB2 CYS 17 3.975 -9.325 -4.411 128 HB3 CYS 17 HB3 CYS 17 2.587 -10.352 -4.764 129 H ARG 18 H ARG 18 0.523 -8.999 -1.563 130 HA ARG 18 HA ARG 18 2.401 -10.651 0.051 131 HB2 ARG 18 HB2 ARG 18 -0.009 -9.055 1.025 132 HB3 ARG 18 HB3 ARG 18 1.112 -9.956 2.031 133 HG2 ARG 18 HG2 ARG 18 1.825 -7.518 0.373 134 HG3 ARG 18 HG3 ARG 18 1.523 -7.513 2.110 135 HD2 ARG 18 HD2 ARG 18 3.481 -8.964 2.474 136 HD3 ARG 18 HD3 ARG 18 3.755 -9.054 0.730 137 HE ARG 18 HE ARG 18 3.740 -6.361 1.546 138 HH11 ARG 18 HH11 ARG 18 5.802 -9.215 1.839 139 HH12 ARG 18 HH12 ARG 18 7.255 -8.268 1.965 140 HH21 ARG 18 HH21 ARG 18 5.659 -5.175 1.625 141 HH22 ARG 18 HH22 ARG 18 7.175 -6.000 1.846 142 HA PRO 19 HA PRO 19 -0.383 -13.998 -0.934 143 HB2 PRO 19 HB2 PRO 19 0.256 -15.849 0.950 144 HB3 PRO 19 HB3 PRO 19 1.428 -15.335 -0.282 145 HG2 PRO 19 HG2 PRO 19 1.184 -14.390 2.566 146 HG3 PRO 19 HG3 PRO 19 2.640 -14.912 1.686 147 HD2 PRO 19 HD2 PRO 19 1.998 -12.282 1.994 148 HD3 PRO 19 HD3 PRO 19 2.843 -12.886 0.550 149 H ASN 20 H ASN 20 -0.743 -12.256 1.987 150 HA ASN 20 HA ASN 20 -3.477 -13.278 2.418 151 HB2 ASN 20 HB2 ASN 20 -3.105 -13.035 4.899 152 HB3 ASN 20 HB3 ASN 20 -2.166 -14.323 4.160 153 HD21 ASN 20 HD21 ASN 20 -0.726 -14.308 5.905 154 HD22 ASN 20 HD22 ASN 20 0.444 -13.056 6.129 155 HA PRO 21 HA PRO 21 -4.736 -8.940 2.521 156 HB2 PRO 21 HB2 PRO 21 -6.535 -9.725 4.814 157 HB3 PRO 21 HB3 PRO 21 -6.928 -8.920 3.276 158 HG2 PRO 21 HG2 PRO 21 -7.563 -11.473 3.628 159 HG3 PRO 21 HG3 PRO 21 -6.943 -10.908 2.058 160 HD2 PRO 21 HD2 PRO 21 -5.481 -12.396 4.244 161 HD3 PRO 21 HD3 PRO 21 -5.425 -12.637 2.478 162 H GLU 22 H GLU 22 -3.728 -10.611 5.454 163 HA GLU 22 HA GLU 22 -3.789 -8.589 7.363 164 HB2 GLU 22 HB2 GLU 22 -2.061 -11.062 7.067 165 HB3 GLU 22 HB3 GLU 22 -1.831 -9.976 8.432 166 HG2 GLU 22 HG2 GLU 22 -3.228 -11.901 9.017 167 HG3 GLU 22 HG3 GLU 22 -4.086 -10.380 9.209 168 H GLU 23 H GLU 23 -0.942 -9.587 5.430 169 HA GLU 23 HA GLU 23 0.685 -7.432 6.331 170 HB2 GLU 23 HB2 GLU 23 0.954 -9.606 4.269 171 HB3 GLU 23 HB3 GLU 23 2.010 -8.207 4.103 172 HG2 GLU 23 HG2 GLU 23 3.019 -10.128 5.342 173 HG3 GLU 23 HG3 GLU 23 3.039 -8.606 6.219 174 H VAL 24 H VAL 24 -1.488 -7.839 3.536 175 HA VAL 24 HA VAL 24 -0.709 -5.493 2.142 176 HB VAL 24 HB VAL 24 -3.395 -6.958 2.129 177 HG11 VAL 24 HG11 VAL 24 -2.444 -4.728 0.273 178 HG12 VAL 24 HG12 VAL 24 -3.784 -4.644 1.424 179 HG13 VAL 24 HG13 VAL 24 -3.893 -5.715 0.031 180 HG21 VAL 24 HG21 VAL 24 -2.638 -7.844 -0.056 181 HG22 VAL 24 HG22 VAL 24 -1.531 -8.296 1.238 182 HG23 VAL 24 HG23 VAL 24 -1.094 -6.995 0.129 183 H GLU 25 H GLU 25 -2.939 -5.997 4.879 184 HA GLU 25 HA GLU 25 -4.254 -3.494 4.839 185 HB2 GLU 25 HB2 GLU 25 -3.647 -5.324 7.203 186 HB3 GLU 25 HB3 GLU 25 -4.671 -3.897 7.312 187 HG2 GLU 25 HG2 GLU 25 -5.200 -6.426 5.749 188 HG3 GLU 25 HG3 GLU 25 -6.085 -5.820 7.145 189 H LYS 26 H LYS 26 -1.336 -4.611 6.509 190 HA LYS 26 HA LYS 26 -0.660 -2.168 7.780 191 HB2 LYS 26 HB2 LYS 26 1.215 -4.418 6.930 192 HB3 LYS 26 HB3 LYS 26 1.527 -3.208 8.172 193 HG2 LYS 26 HG2 LYS 26 -0.240 -4.166 9.585 194 HG3 LYS 26 HG3 LYS 26 -0.637 -5.334 8.319 195 HD2 LYS 26 HD2 LYS 26 1.731 -6.225 8.508 196 HD3 LYS 26 HD3 LYS 26 1.958 -5.165 9.904 197 HE2 LYS 26 HE2 LYS 26 1.424 -7.434 10.633 198 HE3 LYS 26 HE3 LYS 26 0.109 -6.345 11.073 199 HZ1 LYS 26 HZ1 LYS 26 -1.146 -7.129 9.181 200 HZ2 LYS 26 HZ2 LYS 26 -0.677 -8.444 10.137 201 HZ3 LYS 26 HZ3 LYS 26 0.132 -8.120 8.686 202 H GLU 27 H GLU 27 0.587 -3.737 4.824 203 HA GLU 27 HA GLU 27 2.508 -1.864 4.094 204 HB2 GLU 27 HB2 GLU 27 0.946 -3.895 2.451 205 HB3 GLU 27 HB3 GLU 27 2.232 -2.923 1.750 206 HG2 GLU 27 HG2 GLU 27 2.585 -4.809 4.090 207 HG3 GLU 27 HG3 GLU 27 2.940 -5.213 2.414 208 H ALA 28 H ALA 28 -0.923 -2.037 3.147 209 HA ALA 28 HA ALA 28 -0.789 -0.118 1.079 210 HB1 ALA 28 HB1 ALA 28 -3.237 -0.062 1.196 211 HB2 ALA 28 HB2 ALA 28 -3.196 -0.940 2.731 212 HB3 ALA 28 HB3 ALA 28 -2.637 -1.716 1.246 213 H ARG 29 H ARG 29 -1.939 0.157 4.476 214 HA ARG 29 HA ARG 29 -2.428 2.957 4.255 215 HB2 ARG 29 HB2 ARG 29 -2.889 2.934 6.653 216 HB3 ARG 29 HB3 ARG 29 -3.677 1.586 5.849 217 HG2 ARG 29 HG2 ARG 29 -1.809 0.099 6.663 218 HG3 ARG 29 HG3 ARG 29 -1.204 1.466 7.601 219 HD2 ARG 29 HD2 ARG 29 -3.314 1.543 8.868 220 HD3 ARG 29 HD3 ARG 29 -3.956 0.200 7.915 221 HE ARG 29 HE ARG 29 -1.637 0.023 9.754 222 HH11 ARG 29 HH11 ARG 29 -4.431 -1.489 8.254 223 HH12 ARG 29 HH12 ARG 29 -4.244 -2.983 9.122 224 HH21 ARG 29 HH21 ARG 29 -1.362 -1.944 10.842 225 HH22 ARG 29 HH22 ARG 29 -2.495 -3.240 10.597 226 H ARG 30 H ARG 30 0.282 1.051 5.490 227 HA ARG 30 HA ARG 30 1.718 3.119 6.758 228 HB2 ARG 30 HB2 ARG 30 2.563 0.422 5.657 229 HB3 ARG 30 HB3 ARG 30 3.730 1.502 6.399 230 HG2 ARG 30 HG2 ARG 30 1.257 0.532 7.867 231 HG3 ARG 30 HG3 ARG 30 2.777 -0.359 7.859 232 HD2 ARG 30 HD2 ARG 30 2.736 0.890 9.876 233 HD3 ARG 30 HD3 ARG 30 3.887 1.702 8.818 234 HE ARG 30 HE ARG 30 1.238 2.841 8.692 235 HH11 ARG 30 HH11 ARG 30 4.251 2.880 10.531 236 HH12 ARG 30 HH12 ARG 30 3.967 4.464 11.184 237 HH21 ARG 30 HH21 ARG 30 0.840 4.867 9.641 238 HH22 ARG 30 HH22 ARG 30 2.028 5.594 10.679 239 H THR 31 H THR 31 1.981 1.776 3.440 240 HA THR 31 HA THR 31 4.165 3.384 2.568 241 HB THR 31 HB THR 31 2.004 1.906 0.977 242 HG1 THR 31 HG1 THR 31 3.553 0.711 2.347 243 HG21 THR 31 HG21 THR 31 3.522 2.017 -0.969 244 HG22 THR 31 HG22 THR 31 4.634 3.043 -0.065 245 HG23 THR 31 HG23 THR 31 3.027 3.640 -0.476 246 H LYS 32 H LYS 32 0.640 3.761 2.328 247 HA LYS 32 HA LYS 32 0.512 6.093 0.753 248 HB2 LYS 32 HB2 LYS 32 -1.367 4.945 2.849 249 HB3 LYS 32 HB3 LYS 32 -1.782 6.356 1.885 250 HG2 LYS 32 HG2 LYS 32 -1.076 3.660 0.672 251 HG3 LYS 32 HG3 LYS 32 -2.722 4.146 1.062 252 HD2 LYS 32 HD2 LYS 32 -0.882 5.579 -0.893 253 HD3 LYS 32 HD3 LYS 32 -2.198 4.483 -1.330 254 HE2 LYS 32 HE2 LYS 32 -2.465 7.154 0.089 255 HE3 LYS 32 HE3 LYS 32 -2.965 6.776 -1.557 256 HZ1 LYS 32 HZ1 LYS 32 -4.632 5.312 -0.731 257 HZ2 LYS 32 HZ2 LYS 32 -4.793 6.811 0.035 258 HZ3 LYS 32 HZ3 LYS 32 -4.106 5.512 0.866 259 H GLU 33 H GLU 33 0.570 5.658 4.281 260 HA GLU 33 HA GLU 33 0.518 8.397 5.024 261 HB2 GLU 33 HB2 GLU 33 1.512 5.939 6.534 262 HB3 GLU 33 HB3 GLU 33 1.363 7.538 7.259 263 HG2 GLU 33 HG2 GLU 33 -1.052 7.516 7.014 264 HG3 GLU 33 HG3 GLU 33 -0.989 6.042 6.043 265 H GLU 34 H GLU 34 3.121 6.131 4.257 266 HA GLU 34 HA GLU 34 5.295 7.533 5.408 267 HB2 GLU 34 HB2 GLU 34 5.234 5.083 4.792 268 HB3 GLU 34 HB3 GLU 34 5.414 5.538 3.101 269 HG2 GLU 34 HG2 GLU 34 7.621 6.420 3.498 270 HG3 GLU 34 HG3 GLU 34 7.421 6.298 5.249 271 H GLU 35 H GLU 35 4.034 7.396 2.108 272 HA GLU 35 HA GLU 35 5.820 9.334 0.985 273 HB2 GLU 35 HB2 GLU 35 3.107 8.349 -0.004 274 HB3 GLU 35 HB3 GLU 35 4.241 9.305 -0.952 275 HG2 GLU 35 HG2 GLU 35 4.691 6.492 0.079 276 HG3 GLU 35 HG3 GLU 35 4.378 6.972 -1.586 277 H CYS 36 H CYS 36 3.060 9.633 2.991 278 HA CYS 36 HA CYS 36 2.555 12.431 2.156 279 HB2 CYS 36 HB2 CYS 36 0.702 10.562 2.026 280 HB3 CYS 36 HB3 CYS 36 0.601 10.763 3.773 281 H ARG 37 H ARG 37 4.572 11.202 4.219 282 HA ARG 37 HA ARG 37 4.005 13.158 6.376 283 HB2 ARG 37 HB2 ARG 37 4.408 11.597 8.152 284 HB3 ARG 37 HB3 ARG 37 3.302 10.762 7.065 285 HG2 ARG 37 HG2 ARG 37 5.317 9.610 6.040 286 HG3 ARG 37 HG3 ARG 37 6.297 10.310 7.326 287 HD2 ARG 37 HD2 ARG 37 4.904 9.107 8.999 288 HD3 ARG 37 HD3 ARG 37 3.985 8.373 7.674 289 HE ARG 37 HE ARG 37 6.884 8.009 7.659 290 HH11 ARG 37 HH11 ARG 37 3.761 6.523 8.383 291 HH12 ARG 37 HH12 ARG 37 4.420 4.916 8.398 292 HH21 ARG 37 HH21 ARG 37 7.695 5.924 7.689 293 HH22 ARG 37 HH22 ARG 37 6.641 4.585 8.007 294 H LYS 38 H LYS 38 5.987 13.481 7.771 295 HA LYS 38 HA LYS 38 8.521 13.238 6.334 296 HB2 LYS 38 HB2 LYS 38 7.840 14.499 9.032 297 HB3 LYS 38 HB3 LYS 38 9.461 14.442 8.353 298 HG2 LYS 38 HG2 LYS 38 8.598 15.753 6.369 299 HG3 LYS 38 HG3 LYS 38 7.071 15.936 7.234 300 HD2 LYS 38 HD2 LYS 38 8.218 17.156 9.049 301 HD3 LYS 38 HD3 LYS 38 9.776 16.910 8.254 302 HE2 LYS 38 HE2 LYS 38 9.030 19.169 7.807 303 HE3 LYS 38 HE3 LYS 38 8.928 18.255 6.304 304 HZ1 LYS 38 HZ1 LYS 38 6.976 19.591 6.579 305 HZ2 LYS 38 HZ2 LYS 38 6.672 18.946 8.112 306 HZ3 LYS 38 HZ3 LYS 38 6.537 17.965 6.742 Start of MODEL 9 1 H1 GLN 1 H1 GLN 1 -5.695 -10.184 -5.605 2 H2 GLN 1 H2 GLN 1 -4.688 -11.372 -4.957 3 H3 GLN 1 H3 GLN 1 -5.602 -11.711 -6.337 4 HA GLN 1 HA GLN 1 -3.310 -11.343 -6.922 5 HB2 GLN 1 HB2 GLN 1 -4.955 -8.915 -7.763 6 HB3 GLN 1 HB3 GLN 1 -3.602 -9.622 -8.635 7 HG2 GLN 1 HG2 GLN 1 -5.482 -10.305 -9.851 8 HG3 GLN 1 HG3 GLN 1 -5.087 -11.723 -8.885 9 HE21 GLN 1 HE21 GLN 1 -7.339 -9.062 -9.292 10 HE22 GLN 1 HE22 GLN 1 -8.607 -9.732 -8.329 11 H CYS 2 H CYS 2 -1.951 -9.005 -7.466 12 HA CYS 2 HA CYS 2 -1.072 -7.942 -4.967 13 HB2 CYS 2 HB2 CYS 2 -0.596 -6.963 -7.802 14 HB3 CYS 2 HB3 CYS 2 0.208 -6.296 -6.387 15 H TYR 3 H TYR 3 -1.763 -6.177 -3.847 16 HA TYR 3 HA TYR 3 -4.216 -4.876 -4.469 17 HB2 TYR 3 HB2 TYR 3 -3.318 -5.293 -2.135 18 HB3 TYR 3 HB3 TYR 3 -2.148 -4.022 -2.410 19 HD1 TYR 3 HD2 TYR 3 -5.811 -4.163 -3.219 20 HD2 TYR 3 HD1 TYR 3 -2.762 -2.266 -0.923 21 HE1 TYR 3 HE2 TYR 3 -7.446 -2.536 -2.391 22 HE2 TYR 3 HE1 TYR 3 -4.398 -0.646 -0.087 23 HH TYR 3 HH TYR 3 -7.772 -0.994 -0.536 24 H THR 4 H THR 4 -4.577 -3.059 -5.597 25 HA THR 4 HA THR 4 -2.301 -1.394 -6.492 26 HB THR 4 HB THR 4 -5.023 -1.814 -7.804 27 HG1 THR 4 HG1 THR 4 -2.967 -3.433 -7.723 28 HG21 THR 4 HG21 THR 4 -3.984 -0.708 -9.771 29 HG22 THR 4 HG22 THR 4 -2.521 -0.405 -8.831 30 HG23 THR 4 HG23 THR 4 -4.036 0.381 -8.383 31 H PHE 5 H PHE 5 -2.193 0.565 -5.594 32 HA PHE 5 HA PHE 5 -4.525 2.162 -4.861 33 HB2 PHE 5 HB2 PHE 5 -3.734 2.493 -2.496 34 HB3 PHE 5 HB3 PHE 5 -4.262 0.849 -2.811 35 HD1 PHE 5 HD2 PHE 5 -2.367 -0.868 -3.440 36 HD2 PHE 5 HD1 PHE 5 -1.644 2.813 -1.391 37 HE1 PHE 5 HE2 PHE 5 -0.292 -1.791 -2.544 38 HE2 PHE 5 HE1 PHE 5 0.456 1.887 -0.499 39 HZ PHE 5 HZ PHE 5 1.130 -0.422 -1.064 40 H ARG 6 H ARG 6 -3.998 4.388 -4.744 41 HA ARG 6 HA ARG 6 -1.299 5.077 -5.769 42 HB2 ARG 6 HB2 ARG 6 -3.047 5.103 -7.554 43 HB3 ARG 6 HB3 ARG 6 -3.997 6.248 -6.616 44 HG2 ARG 6 HG2 ARG 6 -2.211 7.940 -6.853 45 HG3 ARG 6 HG3 ARG 6 -1.231 6.786 -7.764 46 HD2 ARG 6 HD2 ARG 6 -3.006 6.701 -9.519 47 HD3 ARG 6 HD3 ARG 6 -3.937 7.886 -8.602 48 HE ARG 6 HE ARG 6 -2.155 9.504 -9.013 49 HH11 ARG 6 HH11 ARG 6 -2.161 6.659 -11.107 50 HH12 ARG 6 HH12 ARG 6 -1.299 7.455 -12.384 51 HH21 ARG 6 HH21 ARG 6 -1.101 10.542 -10.729 52 HH22 ARG 6 HH22 ARG 6 -0.699 9.663 -12.167 53 H SER 7 H SER 7 -0.302 6.689 -4.735 54 HA SER 7 HA SER 7 -1.383 8.100 -2.482 55 HB2 SER 7 HB2 SER 7 0.992 7.583 -2.546 56 HB3 SER 7 HB3 SER 7 1.194 8.380 -4.104 57 HG SER 7 HG SER 7 1.912 9.611 -2.260 58 H GLU 8 H GLU 8 -1.507 10.455 -2.339 59 HA GLU 8 HA GLU 8 -2.188 11.871 -4.862 60 HB2 GLU 8 HB2 GLU 8 -4.065 11.631 -3.178 61 HB3 GLU 8 HB3 GLU 8 -3.099 12.519 -2.004 62 HG2 GLU 8 HG2 GLU 8 -4.682 14.051 -2.908 63 HG3 GLU 8 HG3 GLU 8 -3.120 14.482 -3.594 64 H CYS 9 H CYS 9 -0.567 12.097 -1.712 65 HA CYS 9 HA CYS 9 0.463 14.713 -1.920 66 HB2 CYS 9 HB2 CYS 9 1.464 12.344 -0.297 67 HB3 CYS 9 HB3 CYS 9 1.954 14.019 -0.044 68 H THR 10 H THR 10 1.689 11.650 -3.138 69 HA THR 10 HA THR 10 4.096 12.996 -4.245 70 HB THR 10 HB THR 10 5.174 10.769 -4.341 71 HG1 THR 10 HG1 THR 10 4.129 8.961 -3.633 72 HG21 THR 10 HG21 THR 10 5.562 12.110 -2.294 73 HG22 THR 10 HG22 THR 10 5.516 10.386 -1.909 74 HG23 THR 10 HG23 THR 10 4.121 11.406 -1.554 75 H ASN 11 H ASN 11 1.275 10.975 -4.779 76 HA ASN 11 HA ASN 11 -0.087 10.786 -6.577 77 HB2 ASN 11 HB2 ASN 11 0.634 13.034 -7.274 78 HB3 ASN 11 HB3 ASN 11 2.046 12.370 -8.065 79 HD21 ASN 11 HD21 ASN 11 1.577 13.149 -10.087 80 HD22 ASN 11 HD22 ASN 11 0.206 12.663 -11.023 81 H LYS 12 H LYS 12 2.722 9.237 -6.090 82 HA LYS 12 HA LYS 12 2.977 7.620 -8.474 83 HB2 LYS 12 HB2 LYS 12 4.084 7.324 -5.649 84 HB3 LYS 12 HB3 LYS 12 4.316 6.079 -6.865 85 HG2 LYS 12 HG2 LYS 12 6.317 7.331 -6.842 86 HG3 LYS 12 HG3 LYS 12 5.466 7.841 -8.300 87 HD2 LYS 12 HD2 LYS 12 4.696 9.873 -7.139 88 HD3 LYS 12 HD3 LYS 12 5.517 9.359 -5.666 89 HE2 LYS 12 HE2 LYS 12 6.888 9.995 -8.302 90 HE3 LYS 12 HE3 LYS 12 6.787 11.085 -6.921 91 HZ1 LYS 12 HZ1 LYS 12 8.125 8.427 -6.887 92 HZ2 LYS 12 HZ2 LYS 12 8.097 9.552 -5.622 93 HZ3 LYS 12 HZ3 LYS 12 8.912 9.914 -7.056 94 H GLU 13 H GLU 13 1.885 5.713 -8.949 95 HA GLU 13 HA GLU 13 -0.067 4.632 -7.015 96 HB2 GLU 13 HB2 GLU 13 -0.901 3.235 -8.862 97 HB3 GLU 13 HB3 GLU 13 -0.852 4.924 -9.346 98 HG2 GLU 13 HG2 GLU 13 1.097 4.569 -10.701 99 HG3 GLU 13 HG3 GLU 13 1.319 2.944 -10.068 100 H PHE 14 H PHE 14 -0.067 2.336 -6.466 101 HA PHE 14 HA PHE 14 2.639 1.138 -6.434 102 HB2 PHE 14 HB2 PHE 14 0.805 1.280 -3.992 103 HB3 PHE 14 HB3 PHE 14 2.456 0.661 -4.050 104 HD1 PHE 14 HD2 PHE 14 4.343 2.337 -4.681 105 HD2 PHE 14 HD1 PHE 14 0.422 3.550 -3.456 106 HE1 PHE 14 HE2 PHE 14 5.192 4.588 -4.143 107 HE2 PHE 14 HE1 PHE 14 1.285 5.786 -2.936 108 HZ PHE 14 HZ PHE 14 3.660 6.302 -3.277 109 H THR 15 H THR 15 2.722 -1.069 -6.148 110 HA THR 15 HA THR 15 0.268 -2.681 -6.272 111 HB THR 15 HB THR 15 2.608 -2.887 -8.240 112 HG1 THR 15 HG1 THR 15 0.215 -1.535 -8.320 113 HG21 THR 15 HG21 THR 15 1.245 -4.578 -9.427 114 HG22 THR 15 HG22 THR 15 0.039 -4.512 -8.139 115 HG23 THR 15 HG23 THR 15 1.661 -5.119 -7.799 116 H VAL 16 H VAL 16 0.485 -4.087 -4.561 117 HA VAL 16 HA VAL 16 3.141 -5.236 -3.931 118 HB VAL 16 HB VAL 16 2.789 -3.288 -2.415 119 HG11 VAL 16 HG11 VAL 16 0.396 -4.783 -1.297 120 HG12 VAL 16 HG12 VAL 16 0.338 -3.301 -2.247 121 HG13 VAL 16 HG13 VAL 16 1.087 -3.290 -0.649 122 HG21 VAL 16 HG21 VAL 16 2.742 -5.965 -0.967 123 HG22 VAL 16 HG22 VAL 16 3.311 -4.439 -0.283 124 HG23 VAL 16 HG23 VAL 16 4.166 -5.169 -1.643 125 H CYS 17 H CYS 17 3.060 -7.382 -3.744 126 HA CYS 17 HA CYS 17 0.485 -8.736 -3.188 127 HB2 CYS 17 HB2 CYS 17 2.844 -9.451 -4.883 128 HB3 CYS 17 HB3 CYS 17 2.089 -10.785 -4.019 129 H ARG 18 H ARG 18 0.223 -9.832 -1.415 130 HA ARG 18 HA ARG 18 2.482 -10.912 0.128 131 HB2 ARG 18 HB2 ARG 18 0.112 -9.332 1.221 132 HB3 ARG 18 HB3 ARG 18 1.064 -10.403 2.235 133 HG2 ARG 18 HG2 ARG 18 2.202 -8.023 0.733 134 HG3 ARG 18 HG3 ARG 18 1.708 -7.995 2.427 135 HD2 ARG 18 HD2 ARG 18 3.381 -9.798 2.903 136 HD3 ARG 18 HD3 ARG 18 3.912 -9.710 1.222 137 HE ARG 18 HE ARG 18 4.497 -7.325 1.717 138 HH11 ARG 18 HH11 ARG 18 4.522 -9.714 4.317 139 HH12 ARG 18 HH12 ARG 18 5.695 -8.843 5.253 140 HH21 ARG 18 HH21 ARG 18 6.064 -6.245 2.920 141 HH22 ARG 18 HH22 ARG 18 6.565 -6.879 4.456 142 HA PRO 19 HA PRO 19 0.047 -14.648 -0.253 143 HB2 PRO 19 HB2 PRO 19 0.920 -16.131 1.890 144 HB3 PRO 19 HB3 PRO 19 1.935 -15.796 0.472 145 HG2 PRO 19 HG2 PRO 19 1.910 -14.399 3.129 146 HG3 PRO 19 HG3 PRO 19 3.298 -14.964 2.171 147 HD2 PRO 19 HD2 PRO 19 2.516 -12.368 2.151 148 HD3 PRO 19 HD3 PRO 19 3.201 -13.149 0.706 149 H ASN 20 H ASN 20 -0.639 -12.413 2.134 150 HA ASN 20 HA ASN 20 -3.333 -13.376 2.314 151 HB2 ASN 20 HB2 ASN 20 -3.550 -13.349 4.778 152 HB3 ASN 20 HB3 ASN 20 -2.434 -14.592 4.254 153 HD21 ASN 20 HD21 ASN 20 -0.098 -13.026 3.928 154 HD22 ASN 20 HD22 ASN 20 0.396 -12.494 5.485 155 HA PRO 21 HA PRO 21 -4.105 -8.963 2.025 156 HB2 PRO 21 HB2 PRO 21 -6.587 -9.578 3.637 157 HB3 PRO 21 HB3 PRO 21 -6.418 -8.712 2.091 158 HG2 PRO 21 HG2 PRO 21 -7.338 -11.192 2.103 159 HG3 PRO 21 HG3 PRO 21 -6.186 -10.675 0.847 160 HD2 PRO 21 HD2 PRO 21 -5.668 -12.331 3.318 161 HD3 PRO 21 HD3 PRO 21 -5.038 -12.535 1.666 162 H GLU 22 H GLU 22 -4.007 -10.561 5.145 163 HA GLU 22 HA GLU 22 -4.383 -8.427 6.923 164 HB2 GLU 22 HB2 GLU 22 -4.258 -10.900 7.468 165 HB3 GLU 22 HB3 GLU 22 -2.519 -10.816 7.305 166 HG2 GLU 22 HG2 GLU 22 -4.064 -9.180 9.331 167 HG3 GLU 22 HG3 GLU 22 -3.463 -10.794 9.675 168 H GLU 23 H GLU 23 -1.352 -9.693 5.506 169 HA GLU 23 HA GLU 23 0.347 -7.689 6.595 170 HB2 GLU 23 HB2 GLU 23 0.781 -9.468 4.177 171 HB3 GLU 23 HB3 GLU 23 2.020 -8.455 4.909 172 HG2 GLU 23 HG2 GLU 23 1.789 -9.755 7.025 173 HG3 GLU 23 HG3 GLU 23 0.615 -10.799 6.211 174 H VAL 24 H VAL 24 -1.560 -7.885 3.635 175 HA VAL 24 HA VAL 24 -0.447 -5.671 2.270 176 HB VAL 24 HB VAL 24 -3.294 -6.771 2.072 177 HG11 VAL 24 HG11 VAL 24 -3.204 -4.488 1.190 178 HG12 VAL 24 HG12 VAL 24 -3.391 -5.639 -0.130 179 HG13 VAL 24 HG13 VAL 24 -1.815 -4.899 0.177 180 HG21 VAL 24 HG21 VAL 24 -2.510 -7.949 0.050 181 HG22 VAL 24 HG22 VAL 24 -1.607 -8.464 1.476 182 HG23 VAL 24 HG23 VAL 24 -0.871 -7.346 0.326 183 H GLU 25 H GLU 25 -3.010 -5.892 4.747 184 HA GLU 25 HA GLU 25 -4.089 -3.316 4.634 185 HB2 GLU 25 HB2 GLU 25 -3.547 -4.896 7.186 186 HB3 GLU 25 HB3 GLU 25 -4.703 -3.582 7.015 187 HG2 GLU 25 HG2 GLU 25 -4.865 -6.312 5.725 188 HG3 GLU 25 HG3 GLU 25 -5.841 -5.717 7.061 189 H LYS 26 H LYS 26 -1.296 -4.532 6.373 190 HA LYS 26 HA LYS 26 -0.600 -2.104 7.698 191 HB2 LYS 26 HB2 LYS 26 0.941 -4.699 7.265 192 HB3 LYS 26 HB3 LYS 26 1.451 -3.408 8.356 193 HG2 LYS 26 HG2 LYS 26 -0.550 -3.714 9.728 194 HG3 LYS 26 HG3 LYS 26 -1.182 -4.918 8.605 195 HD2 LYS 26 HD2 LYS 26 1.332 -5.210 10.301 196 HD3 LYS 26 HD3 LYS 26 -0.224 -5.976 10.622 197 HE2 LYS 26 HE2 LYS 26 -0.008 -7.151 8.394 198 HE3 LYS 26 HE3 LYS 26 1.631 -6.507 8.280 199 HZ1 LYS 26 HZ1 LYS 26 0.579 -8.370 10.339 200 HZ2 LYS 26 HZ2 LYS 26 2.113 -7.661 10.413 201 HZ3 LYS 26 HZ3 LYS 26 1.730 -8.715 9.148 202 H GLU 27 H GLU 27 0.736 -3.832 4.867 203 HA GLU 27 HA GLU 27 2.887 -2.135 4.263 204 HB2 GLU 27 HB2 GLU 27 1.251 -4.051 2.544 205 HB3 GLU 27 HB3 GLU 27 2.620 -3.160 1.888 206 HG2 GLU 27 HG2 GLU 27 2.788 -5.057 4.243 207 HG3 GLU 27 HG3 GLU 27 3.154 -5.497 2.579 208 H ALA 28 H ALA 28 -0.468 -2.131 3.157 209 HA ALA 28 HA ALA 28 -0.206 -0.132 1.164 210 HB1 ALA 28 HB1 ALA 28 -2.660 -0.133 1.105 211 HB2 ALA 28 HB2 ALA 28 -2.720 -1.058 2.611 212 HB3 ALA 28 HB3 ALA 28 -2.039 -1.780 1.150 213 H ARG 29 H ARG 29 -1.497 -0.037 4.501 214 HA ARG 29 HA ARG 29 -2.143 2.725 4.444 215 HB2 ARG 29 HB2 ARG 29 -2.618 2.558 6.784 216 HB3 ARG 29 HB3 ARG 29 -3.136 1.053 6.038 217 HG2 ARG 29 HG2 ARG 29 -1.051 -0.046 6.862 218 HG3 ARG 29 HG3 ARG 29 -0.602 1.457 7.668 219 HD2 ARG 29 HD2 ARG 29 -2.583 1.309 9.099 220 HD3 ARG 29 HD3 ARG 29 -3.114 -0.145 8.241 221 HE ARG 29 HE ARG 29 -0.480 -0.319 9.435 222 HH11 ARG 29 HH11 ARG 29 -3.918 -0.915 9.922 223 HH12 ARG 29 HH12 ARG 29 -3.650 -2.061 11.197 224 HH21 ARG 29 HH21 ARG 29 -0.156 -1.785 11.114 225 HH22 ARG 29 HH22 ARG 29 -1.515 -2.552 11.866 226 H ARG 30 H ARG 30 0.761 0.953 5.473 227 HA ARG 30 HA ARG 30 2.144 3.115 6.648 228 HB2 ARG 30 HB2 ARG 30 3.153 0.534 5.396 229 HB3 ARG 30 HB3 ARG 30 4.266 1.736 6.028 230 HG2 ARG 30 HG2 ARG 30 2.202 0.184 7.603 231 HG3 ARG 30 HG3 ARG 30 3.948 -0.040 7.635 232 HD2 ARG 30 HD2 ARG 30 3.668 1.193 9.564 233 HD3 ARG 30 HD3 ARG 30 3.929 2.515 8.421 234 HE ARG 30 HE ARG 30 1.247 1.615 9.333 235 HH11 ARG 30 HH11 ARG 30 3.474 4.212 8.522 236 HH12 ARG 30 HH12 ARG 30 2.313 5.460 8.844 237 HH21 ARG 30 HH21 ARG 30 -0.266 3.264 9.742 238 HH22 ARG 30 HH22 ARG 30 0.202 4.920 9.532 239 H THR 31 H THR 31 2.192 1.784 3.335 240 HA THR 31 HA THR 31 4.033 3.598 2.235 241 HB THR 31 HB THR 31 1.701 2.287 0.759 242 HG1 THR 31 HG1 THR 31 3.579 1.077 2.005 243 HG21 THR 31 HG21 THR 31 4.366 3.348 -0.286 244 HG22 THR 31 HG22 THR 31 2.789 4.087 -0.571 245 HG23 THR 31 HG23 THR 31 3.151 2.498 -1.244 246 H LYS 32 H LYS 32 0.472 3.808 2.363 247 HA LYS 32 HA LYS 32 0.036 6.222 1.051 248 HB2 LYS 32 HB2 LYS 32 -1.526 4.862 3.292 249 HB3 LYS 32 HB3 LYS 32 -2.123 6.295 2.467 250 HG2 LYS 32 HG2 LYS 32 -1.472 3.677 1.073 251 HG3 LYS 32 HG3 LYS 32 -3.082 4.131 1.620 252 HD2 LYS 32 HD2 LYS 32 -1.438 5.651 -0.448 253 HD3 LYS 32 HD3 LYS 32 -2.765 4.542 -0.803 254 HE2 LYS 32 HE2 LYS 32 -4.327 6.004 0.436 255 HE3 LYS 32 HE3 LYS 32 -3.002 7.113 0.797 256 HZ1 LYS 32 HZ1 LYS 32 -2.743 7.467 -1.593 257 HZ2 LYS 32 HZ2 LYS 32 -4.280 7.909 -1.050 258 HZ3 LYS 32 HZ3 LYS 32 -4.061 6.458 -1.894 259 H GLU 33 H GLU 33 0.606 5.680 4.544 260 HA GLU 33 HA GLU 33 0.297 8.376 5.369 261 HB2 GLU 33 HB2 GLU 33 1.784 6.065 6.684 262 HB3 GLU 33 HB3 GLU 33 1.511 7.616 7.466 263 HG2 GLU 33 HG2 GLU 33 -0.645 5.695 6.563 264 HG3 GLU 33 HG3 GLU 33 -0.079 5.907 8.218 265 H GLU 34 H GLU 34 3.231 6.429 4.884 266 HA GLU 34 HA GLU 34 5.125 8.408 5.371 267 HB2 GLU 34 HB2 GLU 34 5.197 5.721 3.993 268 HB3 GLU 34 HB3 GLU 34 6.606 6.767 3.881 269 HG2 GLU 34 HG2 GLU 34 6.964 5.223 5.672 270 HG3 GLU 34 HG3 GLU 34 6.737 6.819 6.367 271 H GLU 35 H GLU 35 3.228 7.918 2.467 272 HA GLU 35 HA GLU 35 4.961 9.491 0.767 273 HB2 GLU 35 HB2 GLU 35 2.070 8.622 0.400 274 HB3 GLU 35 HB3 GLU 35 2.990 9.507 -0.814 275 HG2 GLU 35 HG2 GLU 35 3.639 6.747 0.251 276 HG3 GLU 35 HG3 GLU 35 2.941 7.111 -1.319 277 H CYS 36 H CYS 36 2.307 10.197 2.946 278 HA CYS 36 HA CYS 36 2.388 13.069 2.238 279 HB2 CYS 36 HB2 CYS 36 0.492 11.540 4.062 280 HB3 CYS 36 HB3 CYS 36 0.383 13.265 3.692 281 H ARG 37 H ARG 37 4.064 11.046 4.237 282 HA ARG 37 HA ARG 37 4.558 13.107 6.302 283 HB2 ARG 37 HB2 ARG 37 2.989 11.455 7.204 284 HB3 ARG 37 HB3 ARG 37 4.054 10.126 6.761 285 HG2 ARG 37 HG2 ARG 37 5.646 10.719 8.444 286 HG3 ARG 37 HG3 ARG 37 4.874 12.282 8.734 287 HD2 ARG 37 HD2 ARG 37 3.622 9.570 9.327 288 HD3 ARG 37 HD3 ARG 37 4.360 10.644 10.522 289 HE ARG 37 HE ARG 37 2.619 12.326 9.754 290 HH11 ARG 37 HH11 ARG 37 1.955 8.864 9.663 291 HH12 ARG 37 HH12 ARG 37 0.239 9.074 9.852 292 HH21 ARG 37 HH21 ARG 37 0.372 12.572 10.035 293 HH22 ARG 37 HH22 ARG 37 -0.649 11.165 10.062 294 H LYS 38 H LYS 38 6.522 13.702 5.690 295 HA LYS 38 HA LYS 38 8.731 13.797 5.380 296 HB2 LYS 38 HB2 LYS 38 8.645 11.184 6.924 297 HB3 LYS 38 HB3 LYS 38 10.167 11.848 6.349 298 HG2 LYS 38 HG2 LYS 38 9.868 12.449 8.673 299 HG3 LYS 38 HG3 LYS 38 9.757 13.904 7.681 300 HD2 LYS 38 HD2 LYS 38 7.272 13.797 7.845 301 HD3 LYS 38 HD3 LYS 38 7.418 12.372 8.875 302 HE2 LYS 38 HE2 LYS 38 8.527 13.669 10.603 303 HE3 LYS 38 HE3 LYS 38 8.591 15.089 9.555 304 HZ1 LYS 38 HZ1 LYS 38 6.254 15.329 9.672 305 HZ2 LYS 38 HZ2 LYS 38 6.776 15.074 11.258 306 HZ3 LYS 38 HZ3 LYS 38 6.044 13.821 10.398 Start of MODEL 10 1 H1 GLN 1 H1 GLN 1 -0.417 -9.691 -9.799 2 H2 GLN 1 H2 GLN 1 -1.741 -10.710 -10.044 3 H3 GLN 1 H3 GLN 1 -1.297 -10.254 -8.479 4 HA GLN 1 HA GLN 1 -2.237 -8.432 -10.590 5 HB2 GLN 1 HB2 GLN 1 -3.680 -9.485 -8.124 6 HB3 GLN 1 HB3 GLN 1 -4.306 -8.209 -9.169 7 HG2 GLN 1 HG2 GLN 1 -4.409 -9.776 -11.049 8 HG3 GLN 1 HG3 GLN 1 -3.720 -11.054 -10.055 9 HE21 GLN 1 HE21 GLN 1 -5.030 -11.971 -8.389 10 HE22 GLN 1 HE22 GLN 1 -6.752 -11.800 -8.404 11 H CYS 2 H CYS 2 -1.714 -8.815 -7.072 12 HA CYS 2 HA CYS 2 -0.918 -7.540 -5.425 13 HB2 CYS 2 HB2 CYS 2 0.240 -5.816 -7.638 14 HB3 CYS 2 HB3 CYS 2 0.559 -5.554 -5.924 15 H TYR 3 H TYR 3 -1.678 -5.958 -4.085 16 HA TYR 3 HA TYR 3 -4.169 -4.738 -4.603 17 HB2 TYR 3 HB2 TYR 3 -3.163 -5.425 -2.351 18 HB3 TYR 3 HB3 TYR 3 -2.188 -3.973 -2.414 19 HD1 TYR 3 HD2 TYR 3 -5.758 -5.152 -2.373 20 HD2 TYR 3 HD1 TYR 3 -3.093 -1.919 -1.499 21 HE1 TYR 3 HE2 TYR 3 -7.574 -3.952 -1.245 22 HE2 TYR 3 HE1 TYR 3 -4.923 -0.733 -0.369 23 HH TYR 3 HH TYR 3 -7.878 -2.211 0.446 24 H THR 4 H THR 4 -4.376 -3.115 -6.045 25 HA THR 4 HA THR 4 -2.218 -1.213 -6.518 26 HB THR 4 HB THR 4 -4.881 -1.464 -7.993 27 HG1 THR 4 HG1 THR 4 -3.214 -2.536 -9.533 28 HG21 THR 4 HG21 THR 4 -3.704 0.685 -8.389 29 HG22 THR 4 HG22 THR 4 -3.667 -0.329 -9.834 30 HG23 THR 4 HG23 THR 4 -2.233 -0.194 -8.812 31 H PHE 5 H PHE 5 -2.184 0.618 -5.421 32 HA PHE 5 HA PHE 5 -4.622 2.202 -4.977 33 HB2 PHE 5 HB2 PHE 5 -3.753 2.811 -2.648 34 HB3 PHE 5 HB3 PHE 5 -4.392 1.185 -2.806 35 HD1 PHE 5 HD2 PHE 5 -2.622 -0.700 -3.266 36 HD2 PHE 5 HD1 PHE 5 -1.627 3.082 -1.581 37 HE1 PHE 5 HE2 PHE 5 -0.610 -1.683 -2.305 38 HE2 PHE 5 HE1 PHE 5 0.411 2.090 -0.604 39 HZ PHE 5 HZ PHE 5 0.910 -0.312 -0.964 40 H ARG 6 H ARG 6 -4.269 4.320 -5.383 41 HA ARG 6 HA ARG 6 -1.517 5.131 -6.096 42 HB2 ARG 6 HB2 ARG 6 -2.988 4.958 -8.092 43 HB3 ARG 6 HB3 ARG 6 -4.131 6.088 -7.363 44 HG2 ARG 6 HG2 ARG 6 -2.428 7.873 -7.400 45 HG3 ARG 6 HG3 ARG 6 -1.234 6.748 -8.044 46 HD2 ARG 6 HD2 ARG 6 -2.532 6.543 -10.118 47 HD3 ARG 6 HD3 ARG 6 -3.770 7.628 -9.466 48 HE ARG 6 HE ARG 6 -1.255 8.894 -9.345 49 HH11 ARG 6 HH11 ARG 6 -3.651 7.977 -11.757 50 HH12 ARG 6 HH12 ARG 6 -3.189 9.238 -12.853 51 HH21 ARG 6 HH21 ARG 6 -0.653 10.491 -10.794 52 HH22 ARG 6 HH22 ARG 6 -1.493 10.657 -12.303 53 H SER 7 H SER 7 -0.714 6.814 -5.112 54 HA SER 7 HA SER 7 -2.217 8.337 -3.167 55 HB2 SER 7 HB2 SER 7 0.052 7.685 -2.591 56 HB3 SER 7 HB3 SER 7 0.693 8.423 -4.061 57 HG SER 7 HG SER 7 0.455 9.549 -1.750 58 H GLU 8 H GLU 8 -2.790 10.442 -3.323 59 HA GLU 8 HA GLU 8 -2.305 11.966 -5.799 60 HB2 GLU 8 HB2 GLU 8 -4.646 11.699 -4.862 61 HB3 GLU 8 HB3 GLU 8 -4.136 12.618 -3.450 62 HG2 GLU 8 HG2 GLU 8 -3.594 14.536 -5.001 63 HG3 GLU 8 HG3 GLU 8 -4.300 13.599 -6.317 64 H CYS 9 H CYS 9 -1.105 11.524 -2.663 65 HA CYS 9 HA CYS 9 -0.290 14.219 -2.031 66 HB2 CYS 9 HB2 CYS 9 0.572 11.561 -0.813 67 HB3 CYS 9 HB3 CYS 9 0.876 13.155 -0.124 68 H THR 10 H THR 10 1.196 11.430 -3.596 69 HA THR 10 HA THR 10 3.635 13.012 -4.185 70 HB THR 10 HB THR 10 4.176 11.099 -2.665 71 HG1 THR 10 HG1 THR 10 5.683 10.023 -4.209 72 HG21 THR 10 HG21 THR 10 2.408 9.517 -3.276 73 HG22 THR 10 HG22 THR 10 3.996 8.775 -3.457 74 HG23 THR 10 HG23 THR 10 3.112 9.320 -4.884 75 H ASN 11 H ASN 11 0.853 11.453 -5.301 76 HA ASN 11 HA ASN 11 -0.142 11.267 -7.285 77 HB2 ASN 11 HB2 ASN 11 0.958 13.353 -7.971 78 HB3 ASN 11 HB3 ASN 11 2.379 12.457 -8.455 79 HD21 ASN 11 HD21 ASN 11 -0.960 13.195 -9.262 80 HD22 ASN 11 HD22 ASN 11 -0.869 12.691 -10.914 81 H LYS 12 H LYS 12 2.728 9.644 -6.549 82 HA LYS 12 HA LYS 12 2.902 7.808 -8.743 83 HB2 LYS 12 HB2 LYS 12 4.210 8.097 -6.040 84 HB3 LYS 12 HB3 LYS 12 4.235 6.498 -6.764 85 HG2 LYS 12 HG2 LYS 12 6.287 7.652 -7.265 86 HG3 LYS 12 HG3 LYS 12 5.365 7.376 -8.741 87 HD2 LYS 12 HD2 LYS 12 4.662 9.751 -8.759 88 HD3 LYS 12 HD3 LYS 12 5.536 10.038 -7.251 89 HE2 LYS 12 HE2 LYS 12 7.665 9.554 -8.358 90 HE3 LYS 12 HE3 LYS 12 6.826 9.111 -9.844 91 HZ1 LYS 12 HZ1 LYS 12 7.774 11.312 -9.968 92 HZ2 LYS 12 HZ2 LYS 12 6.876 11.820 -8.632 93 HZ3 LYS 12 HZ3 LYS 12 6.090 11.392 -10.064 94 H GLU 13 H GLU 13 2.069 5.789 -8.933 95 HA GLU 13 HA GLU 13 0.048 4.878 -7.016 96 HB2 GLU 13 HB2 GLU 13 -0.470 3.115 -8.746 97 HB3 GLU 13 HB3 GLU 13 -0.731 4.770 -9.257 98 HG2 GLU 13 HG2 GLU 13 0.176 3.697 -11.137 99 HG3 GLU 13 HG3 GLU 13 1.506 4.643 -10.478 100 H PHE 14 H PHE 14 0.090 2.628 -6.266 101 HA PHE 14 HA PHE 14 2.767 1.438 -5.990 102 HB2 PHE 14 HB2 PHE 14 0.859 1.952 -3.654 103 HB3 PHE 14 HB3 PHE 14 2.431 1.171 -3.554 104 HD1 PHE 14 HD2 PHE 14 4.528 2.603 -4.146 105 HD2 PHE 14 HD1 PHE 14 0.666 4.308 -3.366 106 HE1 PHE 14 HE2 PHE 14 5.570 4.777 -3.662 107 HE2 PHE 14 HE1 PHE 14 1.734 6.474 -2.882 108 HZ PHE 14 HZ PHE 14 4.184 6.712 -3.016 109 H THR 15 H THR 15 2.711 -0.790 -5.952 110 HA THR 15 HA THR 15 0.132 -2.199 -5.634 111 HB THR 15 HB THR 15 0.923 -3.836 -7.414 112 HG1 THR 15 HG1 THR 15 2.633 -1.860 -8.432 113 HG21 THR 15 HG21 THR 15 0.497 -1.000 -8.434 114 HG22 THR 15 HG22 THR 15 -0.784 -2.138 -8.010 115 HG23 THR 15 HG23 THR 15 0.282 -2.481 -9.373 116 H VAL 16 H VAL 16 0.294 -3.747 -4.068 117 HA VAL 16 HA VAL 16 2.935 -5.002 -3.563 118 HB VAL 16 HB VAL 16 2.633 -3.238 -1.869 119 HG11 VAL 16 HG11 VAL 16 0.173 -3.127 -1.748 120 HG12 VAL 16 HG12 VAL 16 0.892 -3.300 -0.145 121 HG13 VAL 16 HG13 VAL 16 0.138 -4.691 -0.927 122 HG21 VAL 16 HG21 VAL 16 3.070 -4.577 0.152 123 HG22 VAL 16 HG22 VAL 16 3.891 -5.270 -1.248 124 HG23 VAL 16 HG23 VAL 16 2.409 -6.014 -0.639 125 H CYS 17 H CYS 17 2.776 -7.101 -3.828 126 HA CYS 17 HA CYS 17 0.328 -8.620 -3.232 127 HB2 CYS 17 HB2 CYS 17 2.891 -9.346 -4.696 128 HB3 CYS 17 HB3 CYS 17 1.697 -10.554 -4.234 129 H ARG 18 H ARG 18 0.196 -9.800 -1.425 130 HA ARG 18 HA ARG 18 2.597 -10.783 -0.043 131 HB2 ARG 18 HB2 ARG 18 0.298 -9.281 1.285 132 HB3 ARG 18 HB3 ARG 18 1.426 -10.275 2.183 133 HG2 ARG 18 HG2 ARG 18 2.202 -7.831 0.552 134 HG3 ARG 18 HG3 ARG 18 1.934 -7.837 2.298 135 HD2 ARG 18 HD2 ARG 18 3.789 -9.503 2.537 136 HD3 ARG 18 HD3 ARG 18 4.077 -9.391 0.796 137 HE ARG 18 HE ARG 18 4.202 -6.805 1.909 138 HH11 ARG 18 HH11 ARG 18 6.058 -9.802 1.910 139 HH12 ARG 18 HH12 ARG 18 7.569 -9.003 2.194 140 HH21 ARG 18 HH21 ARG 18 6.183 -5.784 2.305 141 HH22 ARG 18 HH22 ARG 18 7.636 -6.722 2.419 142 HA PRO 19 HA PRO 19 0.397 -14.629 -0.042 143 HB2 PRO 19 HB2 PRO 19 1.134 -15.854 2.306 144 HB3 PRO 19 HB3 PRO 19 2.280 -15.571 0.976 145 HG2 PRO 19 HG2 PRO 19 1.850 -13.901 3.454 146 HG3 PRO 19 HG3 PRO 19 3.376 -14.511 2.763 147 HD2 PRO 19 HD2 PRO 19 2.578 -11.986 2.290 148 HD3 PRO 19 HD3 PRO 19 3.385 -12.937 1.021 149 H ASN 20 H ASN 20 -0.372 -12.365 2.436 150 HA ASN 20 HA ASN 20 -3.027 -13.511 2.841 151 HB2 ASN 20 HB2 ASN 20 -2.862 -13.504 5.300 152 HB3 ASN 20 HB3 ASN 20 -1.633 -14.559 4.616 153 HD21 ASN 20 HD21 ASN 20 -2.221 -11.765 6.526 154 HD22 ASN 20 HD22 ASN 20 -0.569 -11.400 6.890 155 HA PRO 21 HA PRO 21 -4.322 -9.292 2.510 156 HB2 PRO 21 HB2 PRO 21 -6.470 -9.809 4.553 157 HB3 PRO 21 HB3 PRO 21 -6.615 -9.303 2.854 158 HG2 PRO 21 HG2 PRO 21 -7.234 -11.802 3.573 159 HG3 PRO 21 HG3 PRO 21 -6.415 -11.462 2.032 160 HD2 PRO 21 HD2 PRO 21 -5.217 -12.508 4.602 161 HD3 PRO 21 HD3 PRO 21 -4.919 -13.020 2.923 162 H GLU 22 H GLU 22 -3.849 -10.512 5.765 163 HA GLU 22 HA GLU 22 -4.122 -8.124 7.231 164 HB2 GLU 22 HB2 GLU 22 -2.421 -10.558 7.913 165 HB3 GLU 22 HB3 GLU 22 -2.801 -9.253 9.031 166 HG2 GLU 22 HG2 GLU 22 -4.231 -11.132 9.518 167 HG3 GLU 22 HG3 GLU 22 -5.211 -9.823 8.858 168 H GLU 23 H GLU 23 -1.304 -9.646 5.696 169 HA GLU 23 HA GLU 23 0.609 -7.699 6.429 170 HB2 GLU 23 HB2 GLU 23 0.487 -9.697 4.157 171 HB3 GLU 23 HB3 GLU 23 1.844 -8.585 4.336 172 HG2 GLU 23 HG2 GLU 23 0.978 -10.703 6.326 173 HG3 GLU 23 HG3 GLU 23 2.381 -10.774 5.259 174 H VAL 24 H VAL 24 -1.470 -8.065 3.531 175 HA VAL 24 HA VAL 24 -0.338 -6.007 1.992 176 HB VAL 24 HB VAL 24 -3.248 -6.905 1.850 177 HG11 VAL 24 HG11 VAL 24 -3.083 -6.204 -0.526 178 HG12 VAL 24 HG12 VAL 24 -1.443 -5.614 -0.233 179 HG13 VAL 24 HG13 VAL 24 -2.813 -4.858 0.583 180 HG21 VAL 24 HG21 VAL 24 -2.583 -8.539 0.146 181 HG22 VAL 24 HG22 VAL 24 -1.771 -8.878 1.675 182 HG23 VAL 24 HG23 VAL 24 -0.881 -8.102 0.363 183 H GLU 25 H GLU 25 -3.178 -5.890 4.161 184 HA GLU 25 HA GLU 25 -4.056 -3.280 3.583 185 HB2 GLU 25 HB2 GLU 25 -4.424 -4.964 6.091 186 HB3 GLU 25 HB3 GLU 25 -5.347 -3.507 5.712 187 HG2 GLU 25 HG2 GLU 25 -5.334 -6.059 4.061 188 HG3 GLU 25 HG3 GLU 25 -6.577 -5.606 5.226 189 H LYS 26 H LYS 26 -1.837 -4.564 6.018 190 HA LYS 26 HA LYS 26 -1.280 -2.087 7.311 191 HB2 LYS 26 HB2 LYS 26 -0.938 -4.244 8.436 192 HB3 LYS 26 HB3 LYS 26 0.290 -4.687 7.252 193 HG2 LYS 26 HG2 LYS 26 1.718 -2.811 8.043 194 HG3 LYS 26 HG3 LYS 26 0.493 -2.406 9.257 195 HD2 LYS 26 HD2 LYS 26 0.801 -4.563 10.357 196 HD3 LYS 26 HD3 LYS 26 1.883 -5.107 9.074 197 HE2 LYS 26 HE2 LYS 26 3.461 -3.258 9.730 198 HE3 LYS 26 HE3 LYS 26 2.417 -2.929 11.115 199 HZ1 LYS 26 HZ1 LYS 26 4.249 -4.350 11.736 200 HZ2 LYS 26 HZ2 LYS 26 3.829 -5.487 10.559 201 HZ3 LYS 26 HZ3 LYS 26 2.802 -5.207 11.871 202 H GLU 27 H GLU 27 0.230 -3.892 4.635 203 HA GLU 27 HA GLU 27 2.546 -2.325 4.262 204 HB2 GLU 27 HB2 GLU 27 0.943 -4.068 2.340 205 HB3 GLU 27 HB3 GLU 27 2.419 -3.245 1.846 206 HG2 GLU 27 HG2 GLU 27 2.259 -5.295 4.075 207 HG3 GLU 27 HG3 GLU 27 2.707 -5.663 2.413 208 H ALA 28 H ALA 28 -0.766 -2.093 3.111 209 HA ALA 28 HA ALA 28 -0.405 -0.123 1.113 210 HB1 ALA 28 HB1 ALA 28 -2.946 -0.929 2.574 211 HB2 ALA 28 HB2 ALA 28 -2.322 -1.678 1.104 212 HB3 ALA 28 HB3 ALA 28 -2.858 -0.001 1.061 213 H ARG 29 H ARG 29 -1.693 0.002 4.446 214 HA ARG 29 HA ARG 29 -2.153 2.789 4.422 215 HB2 ARG 29 HB2 ARG 29 -2.691 2.622 6.746 216 HB3 ARG 29 HB3 ARG 29 -3.288 1.163 5.971 217 HG2 ARG 29 HG2 ARG 29 -1.302 -0.078 6.859 218 HG3 ARG 29 HG3 ARG 29 -0.786 1.394 7.692 219 HD2 ARG 29 HD2 ARG 29 -2.994 1.360 8.926 220 HD3 ARG 29 HD3 ARG 29 -3.317 -0.210 8.186 221 HE ARG 29 HE ARG 29 -0.969 0.293 9.914 222 HH11 ARG 29 HH11 ARG 29 -3.688 -1.739 9.062 223 HH12 ARG 29 HH12 ARG 29 -3.309 -2.964 10.227 224 HH21 ARG 29 HH21 ARG 29 -0.480 -1.331 11.464 225 HH22 ARG 29 HH22 ARG 29 -1.502 -2.726 11.574 226 H ARG 30 H ARG 30 0.609 0.837 5.521 227 HA ARG 30 HA ARG 30 1.982 2.934 6.866 228 HB2 ARG 30 HB2 ARG 30 2.874 0.212 5.858 229 HB3 ARG 30 HB3 ARG 30 3.986 1.305 6.677 230 HG2 ARG 30 HG2 ARG 30 1.395 0.399 7.981 231 HG3 ARG 30 HG3 ARG 30 2.866 -0.570 8.060 232 HD2 ARG 30 HD2 ARG 30 2.709 0.706 10.082 233 HD3 ARG 30 HD3 ARG 30 4.030 1.370 9.121 234 HE ARG 30 HE ARG 30 1.494 2.748 8.814 235 HH11 ARG 30 HH11 ARG 30 4.506 2.613 10.666 236 HH12 ARG 30 HH12 ARG 30 4.373 4.255 11.217 237 HH21 ARG 30 HH21 ARG 30 1.324 4.855 9.599 238 HH22 ARG 30 HH22 ARG 30 2.562 5.525 10.608 239 H THR 31 H THR 31 2.203 1.586 3.552 240 HA THR 31 HA THR 31 4.360 3.157 2.597 241 HB THR 31 HB THR 31 1.974 2.016 1.068 242 HG1 THR 31 HG1 THR 31 3.494 0.563 2.168 243 HG21 THR 31 HG21 THR 31 3.331 2.226 -0.989 244 HG22 THR 31 HG22 THR 31 4.601 3.045 -0.077 245 HG23 THR 31 HG23 THR 31 3.032 3.821 -0.281 246 H LYS 32 H LYS 32 0.867 3.756 2.693 247 HA LYS 32 HA LYS 32 0.885 6.200 1.240 248 HB2 LYS 32 HB2 LYS 32 -1.172 4.874 3.045 249 HB3 LYS 32 HB3 LYS 32 -1.489 6.400 2.224 250 HG2 LYS 32 HG2 LYS 32 -0.835 3.757 0.873 251 HG3 LYS 32 HG3 LYS 32 -2.437 4.487 0.987 252 HD2 LYS 32 HD2 LYS 32 -0.078 5.785 -0.456 253 HD3 LYS 32 HD3 LYS 32 -1.286 4.770 -1.243 254 HE2 LYS 32 HE2 LYS 32 -1.906 7.057 -1.621 255 HE3 LYS 32 HE3 LYS 32 -3.057 6.381 -0.477 256 HZ1 LYS 32 HZ1 LYS 32 -2.300 8.639 0.080 257 HZ2 LYS 32 HZ2 LYS 32 -0.732 8.062 0.292 258 HZ3 LYS 32 HZ3 LYS 32 -1.976 7.531 1.303 259 H GLU 33 H GLU 33 0.918 5.476 4.703 260 HA GLU 33 HA GLU 33 0.865 8.173 5.655 261 HB2 GLU 33 HB2 GLU 33 1.722 5.584 7.029 262 HB3 GLU 33 HB3 GLU 33 1.501 7.129 7.852 263 HG2 GLU 33 HG2 GLU 33 -0.881 7.118 7.395 264 HG3 GLU 33 HG3 GLU 33 -0.720 5.709 6.345 265 H GLU 34 H GLU 34 3.366 6.041 4.503 266 HA GLU 34 HA GLU 34 5.647 7.241 5.707 267 HB2 GLU 34 HB2 GLU 34 5.550 4.928 4.699 268 HB3 GLU 34 HB3 GLU 34 5.478 5.652 3.104 269 HG2 GLU 34 HG2 GLU 34 7.723 4.871 3.531 270 HG3 GLU 34 HG3 GLU 34 7.723 6.636 3.459 271 H GLU 35 H GLU 35 4.233 7.535 2.436 272 HA GLU 35 HA GLU 35 6.029 9.691 1.743 273 HB2 GLU 35 HB2 GLU 35 4.846 9.635 -0.486 274 HB3 GLU 35 HB3 GLU 35 5.667 8.165 -0.004 275 HG2 GLU 35 HG2 GLU 35 3.703 7.408 -1.002 276 HG3 GLU 35 HG3 GLU 35 3.380 7.284 0.726 277 H CYS 36 H CYS 36 2.588 9.440 2.634 278 HA CYS 36 HA CYS 36 2.125 12.261 1.899 279 HB2 CYS 36 HB2 CYS 36 0.497 10.529 1.137 280 HB3 CYS 36 HB3 CYS 36 0.104 10.173 2.812 281 H ARG 37 H ARG 37 3.509 11.107 4.538 282 HA ARG 37 HA ARG 37 2.000 12.257 6.675 283 HB2 ARG 37 HB2 ARG 37 4.090 12.220 7.969 284 HB3 ARG 37 HB3 ARG 37 3.872 10.706 7.101 285 HG2 ARG 37 HG2 ARG 37 5.546 11.313 5.468 286 HG3 ARG 37 HG3 ARG 37 5.672 12.946 6.128 287 HD2 ARG 37 HD2 ARG 37 7.553 11.549 6.854 288 HD3 ARG 37 HD3 ARG 37 6.565 12.044 8.227 289 HE ARG 37 HE ARG 37 5.691 9.829 8.378 290 HH11 ARG 37 HH11 ARG 37 8.357 10.113 6.103 291 HH12 ARG 37 HH12 ARG 37 8.713 8.419 6.127 292 HH21 ARG 37 HH21 ARG 37 6.174 7.591 8.392 293 HH22 ARG 37 HH22 ARG 37 7.484 6.989 7.421 294 H LYS 38 H LYS 38 4.067 13.616 4.222 295 HA LYS 38 HA LYS 38 3.796 16.338 5.360 296 HB2 LYS 38 HB2 LYS 38 6.142 15.516 5.435 297 HB3 LYS 38 HB3 LYS 38 6.096 15.224 3.699 298 HG2 LYS 38 HG2 LYS 38 5.828 17.641 3.276 299 HG3 LYS 38 HG3 LYS 38 5.813 17.962 5.014 300 HD2 LYS 38 HD2 LYS 38 8.141 16.784 3.440 301 HD3 LYS 38 HD3 LYS 38 8.018 18.456 3.997 302 HE2 LYS 38 HE2 LYS 38 8.140 16.004 5.801 303 HE3 LYS 38 HE3 LYS 38 9.478 17.100 5.465 304 HZ1 LYS 38 HZ1 LYS 38 6.942 17.832 6.822 305 HZ2 LYS 38 HZ2 LYS 38 8.215 18.891 6.499 306 HZ3 LYS 38 HZ3 LYS 38 8.438 17.608 7.574 Start of MODEL 11 1 H1 GLN 1 H1 GLN 1 -2.768 -8.525 -10.979 2 H2 GLN 1 H2 GLN 1 -4.153 -8.442 -10.017 3 H3 GLN 1 H3 GLN 1 -3.764 -9.880 -10.813 4 HA GLN 1 HA GLN 1 -3.266 -9.965 -8.456 5 HB2 GLN 1 HB2 GLN 1 -1.980 -11.334 -10.063 6 HB3 GLN 1 HB3 GLN 1 -0.841 -10.019 -10.298 7 HG2 GLN 1 HG2 GLN 1 0.179 -11.680 -8.889 8 HG3 GLN 1 HG3 GLN 1 -0.136 -10.250 -7.913 9 HE21 GLN 1 HE21 GLN 1 0.328 -12.995 -7.051 10 HE22 GLN 1 HE22 GLN 1 -1.067 -13.468 -6.142 11 H CYS 2 H CYS 2 -2.018 -9.222 -6.689 12 HA CYS 2 HA CYS 2 -0.909 -7.857 -5.306 13 HB2 CYS 2 HB2 CYS 2 0.065 -6.348 -7.748 14 HB3 CYS 2 HB3 CYS 2 0.701 -6.193 -6.113 15 H TYR 3 H TYR 3 -1.631 -6.241 -4.024 16 HA TYR 3 HA TYR 3 -3.926 -4.735 -4.634 17 HB2 TYR 3 HB2 TYR 3 -3.127 -5.432 -2.330 18 HB3 TYR 3 HB3 TYR 3 -1.906 -4.182 -2.427 19 HD1 TYR 3 HD2 TYR 3 -5.554 -4.071 -3.366 20 HD2 TYR 3 HD1 TYR 3 -2.505 -2.613 -0.747 21 HE1 TYR 3 HE2 TYR 3 -7.156 -2.500 -2.361 22 HE2 TYR 3 HE1 TYR 3 -4.110 -1.066 0.265 23 HH TYR 3 HH TYR 3 -7.395 -1.299 -0.096 24 H THR 4 H THR 4 -3.813 -3.293 -6.274 25 HA THR 4 HA THR 4 -1.595 -1.370 -6.468 26 HB THR 4 HB THR 4 -3.886 -1.793 -8.446 27 HG1 THR 4 HG1 THR 4 -2.352 -3.647 -7.941 28 HG21 THR 4 HG21 THR 4 -1.137 -0.504 -8.789 29 HG22 THR 4 HG22 THR 4 -2.666 0.377 -8.687 30 HG23 THR 4 HG23 THR 4 -2.345 -0.694 -10.055 31 H PHE 5 H PHE 5 -1.871 0.657 -5.747 32 HA PHE 5 HA PHE 5 -4.489 1.947 -5.656 33 HB2 PHE 5 HB2 PHE 5 -4.079 2.683 -3.231 34 HB3 PHE 5 HB3 PHE 5 -4.544 1.005 -3.454 35 HD1 PHE 5 HD2 PHE 5 -2.606 -0.740 -3.522 36 HD2 PHE 5 HD1 PHE 5 -2.170 3.173 -1.865 37 HE1 PHE 5 HE2 PHE 5 -0.720 -1.535 -2.188 38 HE2 PHE 5 HE1 PHE 5 -0.265 2.370 -0.515 39 HZ PHE 5 HZ PHE 5 0.452 0.004 -0.672 40 H ARG 6 H ARG 6 -4.359 4.100 -5.955 41 HA ARG 6 HA ARG 6 -1.681 5.324 -6.280 42 HB2 ARG 6 HB2 ARG 6 -2.934 5.036 -8.414 43 HB3 ARG 6 HB3 ARG 6 -4.272 5.976 -7.777 44 HG2 ARG 6 HG2 ARG 6 -1.528 7.224 -7.898 45 HG3 ARG 6 HG3 ARG 6 -2.455 7.071 -9.375 46 HD2 ARG 6 HD2 ARG 6 -4.284 8.390 -8.360 47 HD3 ARG 6 HD3 ARG 6 -3.335 8.554 -6.882 48 HE ARG 6 HE ARG 6 -1.852 9.521 -9.082 49 HH11 ARG 6 HH11 ARG 6 -4.638 10.362 -7.089 50 HH12 ARG 6 HH12 ARG 6 -4.448 12.066 -7.344 51 HH21 ARG 6 HH21 ARG 6 -1.665 11.754 -9.433 52 HH22 ARG 6 HH22 ARG 6 -2.766 12.855 -8.666 53 H SER 7 H SER 7 -1.295 7.170 -5.155 54 HA SER 7 HA SER 7 -3.518 8.369 -3.614 55 HB2 SER 7 HB2 SER 7 -1.924 7.047 -2.196 56 HB3 SER 7 HB3 SER 7 -0.602 8.074 -2.756 57 HG SER 7 HG SER 7 -1.157 9.440 -1.276 58 H GLU 8 H GLU 8 -3.670 10.600 -3.646 59 HA GLU 8 HA GLU 8 -2.304 12.041 -5.731 60 HB2 GLU 8 HB2 GLU 8 -4.701 12.427 -5.050 61 HB3 GLU 8 HB3 GLU 8 -4.132 13.121 -3.537 62 HG2 GLU 8 HG2 GLU 8 -4.740 14.898 -5.066 63 HG3 GLU 8 HG3 GLU 8 -2.995 14.925 -4.822 64 H CYS 9 H CYS 9 -1.961 11.751 -2.263 65 HA CYS 9 HA CYS 9 -0.075 13.918 -1.936 66 HB2 CYS 9 HB2 CYS 9 0.102 12.737 0.424 67 HB3 CYS 9 HB3 CYS 9 -1.370 13.597 -0.010 68 H THR 10 H THR 10 0.984 12.622 -3.888 69 HA THR 10 HA THR 10 3.559 11.981 -3.531 70 HB THR 10 HB THR 10 2.931 9.973 -2.148 71 HG1 THR 10 HG1 THR 10 4.512 8.790 -3.036 72 HG21 THR 10 HG21 THR 10 0.817 9.376 -3.271 73 HG22 THR 10 HG22 THR 10 1.921 8.005 -3.221 74 HG23 THR 10 HG23 THR 10 1.704 8.909 -4.722 75 H ASN 11 H ASN 11 0.565 11.318 -5.140 76 HA ASN 11 HA ASN 11 -0.181 11.415 -7.247 77 HB2 ASN 11 HB2 ASN 11 1.340 13.271 -7.703 78 HB3 ASN 11 HB3 ASN 11 2.656 12.157 -8.035 79 HD21 ASN 11 HD21 ASN 11 2.922 13.179 -10.091 80 HD22 ASN 11 HD22 ASN 11 1.844 12.854 -11.405 81 H LYS 12 H LYS 12 2.558 9.373 -6.544 82 HA LYS 12 HA LYS 12 2.308 7.733 -8.917 83 HB2 LYS 12 HB2 LYS 12 4.051 7.403 -6.434 84 HB3 LYS 12 HB3 LYS 12 4.173 6.423 -7.899 85 HG2 LYS 12 HG2 LYS 12 4.671 8.521 -9.185 86 HG3 LYS 12 HG3 LYS 12 4.714 9.399 -7.652 87 HD2 LYS 12 HD2 LYS 12 6.605 7.968 -6.892 88 HD3 LYS 12 HD3 LYS 12 6.545 7.079 -8.416 89 HE2 LYS 12 HE2 LYS 12 7.042 9.239 -9.611 90 HE3 LYS 12 HE3 LYS 12 7.255 10.004 -8.035 91 HZ1 LYS 12 HZ1 LYS 12 9.079 8.511 -7.579 92 HZ2 LYS 12 HZ2 LYS 12 9.366 9.322 -9.028 93 HZ3 LYS 12 HZ3 LYS 12 8.858 7.708 -9.049 94 H GLU 13 H GLU 13 2.113 5.436 -8.829 95 HA GLU 13 HA GLU 13 0.010 4.422 -7.053 96 HB2 GLU 13 HB2 GLU 13 1.312 3.151 -9.503 97 HB3 GLU 13 HB3 GLU 13 -0.077 2.506 -8.631 98 HG2 GLU 13 HG2 GLU 13 -1.427 4.434 -9.293 99 HG3 GLU 13 HG3 GLU 13 -0.030 5.163 -10.091 100 H PHE 14 H PHE 14 0.260 2.454 -5.914 101 HA PHE 14 HA PHE 14 2.965 1.332 -5.564 102 HB2 PHE 14 HB2 PHE 14 0.933 1.656 -3.304 103 HB3 PHE 14 HB3 PHE 14 2.587 1.065 -3.164 104 HD1 PHE 14 HD2 PHE 14 4.505 2.677 -3.641 105 HD2 PHE 14 HD1 PHE 14 0.451 3.971 -3.150 106 HE1 PHE 14 HE2 PHE 14 5.277 4.981 -3.275 107 HE2 PHE 14 HE1 PHE 14 1.232 6.266 -2.792 108 HZ PHE 14 HZ PHE 14 3.639 6.774 -2.857 109 H THR 15 H THR 15 3.011 -0.845 -5.639 110 HA THR 15 HA THR 15 0.489 -2.367 -5.886 111 HB THR 15 HB THR 15 2.913 -2.571 -7.733 112 HG1 THR 15 HG1 THR 15 1.650 -1.478 -9.237 113 HG21 THR 15 HG21 THR 15 0.181 -3.885 -7.913 114 HG22 THR 15 HG22 THR 15 1.705 -4.703 -7.559 115 HG23 THR 15 HG23 THR 15 1.441 -3.979 -9.148 116 H VAL 16 H VAL 16 0.544 -3.936 -4.357 117 HA VAL 16 HA VAL 16 3.146 -5.052 -3.488 118 HB VAL 16 HB VAL 16 2.594 -3.204 -1.964 119 HG11 VAL 16 HG11 VAL 16 0.039 -4.670 -1.251 120 HG12 VAL 16 HG12 VAL 16 0.151 -3.161 -2.160 121 HG13 VAL 16 HG13 VAL 16 0.656 -3.209 -0.468 122 HG21 VAL 16 HG21 VAL 16 2.286 -5.893 -0.584 123 HG22 VAL 16 HG22 VAL 16 2.805 -4.388 0.182 124 HG23 VAL 16 HG23 VAL 16 3.811 -5.139 -1.059 125 H CYS 17 H CYS 17 3.113 -7.195 -3.537 126 HA CYS 17 HA CYS 17 0.581 -8.712 -3.343 127 HB2 CYS 17 HB2 CYS 17 3.078 -9.086 -4.919 128 HB3 CYS 17 HB3 CYS 17 2.432 -10.564 -4.223 129 H ARG 18 H ARG 18 0.270 -9.141 -1.231 130 HA ARG 18 HA ARG 18 2.200 -11.011 0.019 131 HB2 ARG 18 HB2 ARG 18 0.450 -8.895 1.296 132 HB3 ARG 18 HB3 ARG 18 0.735 -10.382 2.182 133 HG2 ARG 18 HG2 ARG 18 2.281 -8.715 2.949 134 HG3 ARG 18 HG3 ARG 18 3.177 -9.955 2.079 135 HD2 ARG 18 HD2 ARG 18 3.262 -8.462 0.098 136 HD3 ARG 18 HD3 ARG 18 2.405 -7.222 1.017 137 HE ARG 18 HE ARG 18 4.396 -7.413 2.607 138 HH11 ARG 18 HH11 ARG 18 4.689 -7.834 -0.882 139 HH12 ARG 18 HH12 ARG 18 6.335 -7.294 -0.922 140 HH21 ARG 18 HH21 ARG 18 6.526 -6.662 2.522 141 HH22 ARG 18 HH22 ARG 18 7.379 -6.631 1.012 142 HA PRO 19 HA PRO 19 -0.856 -14.146 -0.703 143 HB2 PRO 19 HB2 PRO 19 -0.614 -15.809 1.493 144 HB3 PRO 19 HB3 PRO 19 0.611 -15.699 0.213 145 HG2 PRO 19 HG2 PRO 19 0.568 -14.306 2.882 146 HG3 PRO 19 HG3 PRO 19 1.899 -15.195 2.102 147 HD2 PRO 19 HD2 PRO 19 1.812 -12.517 2.005 148 HD3 PRO 19 HD3 PRO 19 2.363 -13.456 0.597 149 H ASN 20 H ASN 20 -1.160 -12.263 2.187 150 HA ASN 20 HA ASN 20 -4.034 -12.904 2.440 151 HB2 ASN 20 HB2 ASN 20 -3.840 -12.859 4.897 152 HB3 ASN 20 HB3 ASN 20 -2.823 -14.122 4.218 153 HD21 ASN 20 HD21 ASN 20 -2.813 -12.244 6.702 154 HD22 ASN 20 HD22 ASN 20 -1.151 -11.794 6.814 155 HA PRO 21 HA PRO 21 -4.700 -8.543 2.252 156 HB2 PRO 21 HB2 PRO 21 -6.942 -8.204 3.850 157 HB3 PRO 21 HB3 PRO 21 -6.987 -8.938 2.233 158 HG2 PRO 21 HG2 PRO 21 -6.897 -10.304 4.909 159 HG3 PRO 21 HG3 PRO 21 -7.925 -10.655 3.496 160 HD2 PRO 21 HD2 PRO 21 -5.721 -12.124 3.993 161 HD3 PRO 21 HD3 PRO 21 -6.193 -11.723 2.325 162 H GLU 22 H GLU 22 -4.362 -9.937 5.488 163 HA GLU 22 HA GLU 22 -4.284 -7.519 6.967 164 HB2 GLU 22 HB2 GLU 22 -4.718 -9.703 8.021 165 HB3 GLU 22 HB3 GLU 22 -3.085 -10.241 7.634 166 HG2 GLU 22 HG2 GLU 22 -2.134 -8.591 9.161 167 HG3 GLU 22 HG3 GLU 22 -3.728 -7.908 9.473 168 H GLU 23 H GLU 23 -1.658 -9.561 5.658 169 HA GLU 23 HA GLU 23 0.460 -7.849 6.507 170 HB2 GLU 23 HB2 GLU 23 0.378 -10.058 4.431 171 HB3 GLU 23 HB3 GLU 23 1.853 -9.197 4.862 172 HG2 GLU 23 HG2 GLU 23 0.165 -10.931 6.679 173 HG3 GLU 23 HG3 GLU 23 1.756 -11.317 6.024 174 H VAL 24 H VAL 24 -1.471 -8.097 3.565 175 HA VAL 24 HA VAL 24 -0.112 -6.287 1.914 176 HB VAL 24 HB VAL 24 -3.095 -6.928 2.107 177 HG11 VAL 24 HG11 VAL 24 -2.903 -4.671 1.165 178 HG12 VAL 24 HG12 VAL 24 -3.375 -5.810 -0.095 179 HG13 VAL 24 HG13 VAL 24 -1.707 -5.234 -0.006 180 HG21 VAL 24 HG21 VAL 24 -0.989 -7.753 0.075 181 HG22 VAL 24 HG22 VAL 24 -2.702 -8.188 0.003 182 HG23 VAL 24 HG23 VAL 24 -1.689 -8.785 1.321 183 H GLU 25 H GLU 25 -2.659 -5.774 4.349 184 HA GLU 25 HA GLU 25 -2.994 -2.982 4.046 185 HB2 GLU 25 HB2 GLU 25 -3.645 -4.835 6.379 186 HB3 GLU 25 HB3 GLU 25 -4.060 -3.120 6.381 187 HG2 GLU 25 HG2 GLU 25 -5.525 -3.418 4.460 188 HG3 GLU 25 HG3 GLU 25 -5.045 -5.112 4.315 189 H LYS 26 H LYS 26 -0.954 -4.924 6.210 190 HA LYS 26 HA LYS 26 -0.022 -2.845 7.852 191 HB2 LYS 26 HB2 LYS 26 0.123 -5.207 8.483 192 HB3 LYS 26 HB3 LYS 26 1.221 -5.540 7.158 193 HG2 LYS 26 HG2 LYS 26 2.049 -3.537 9.264 194 HG3 LYS 26 HG3 LYS 26 2.106 -5.255 9.656 195 HD2 LYS 26 HD2 LYS 26 3.529 -3.970 7.293 196 HD3 LYS 26 HD3 LYS 26 4.293 -4.356 8.838 197 HE2 LYS 26 HE2 LYS 26 3.828 -6.745 8.485 198 HE3 LYS 26 HE3 LYS 26 3.018 -6.378 6.958 199 HZ1 LYS 26 HZ1 LYS 26 5.071 -5.638 6.033 200 HZ2 LYS 26 HZ2 LYS 26 5.344 -7.153 6.728 201 HZ3 LYS 26 HZ3 LYS 26 5.866 -5.752 7.518 202 H GLU 27 H GLU 27 1.088 -4.042 4.714 203 HA GLU 27 HA GLU 27 3.385 -2.306 4.565 204 HB2 GLU 27 HB2 GLU 27 1.901 -3.864 2.406 205 HB3 GLU 27 HB3 GLU 27 3.421 -3.017 2.158 206 HG2 GLU 27 HG2 GLU 27 3.068 -5.303 4.111 207 HG3 GLU 27 HG3 GLU 27 3.595 -5.508 2.445 208 H ALA 28 H ALA 28 0.033 -2.281 3.405 209 HA ALA 28 HA ALA 28 0.357 -0.276 1.428 210 HB1 ALA 28 HB1 ALA 28 -1.386 -2.016 1.302 211 HB2 ALA 28 HB2 ALA 28 -2.087 -0.399 1.185 212 HB3 ALA 28 HB3 ALA 28 -2.201 -1.317 2.696 213 H ARG 29 H ARG 29 -1.264 -0.201 4.604 214 HA ARG 29 HA ARG 29 -2.051 2.515 4.436 215 HB2 ARG 29 HB2 ARG 29 -2.760 2.324 6.763 216 HB3 ARG 29 HB3 ARG 29 -3.237 0.876 5.882 217 HG2 ARG 29 HG2 ARG 29 -1.281 -0.325 6.853 218 HG3 ARG 29 HG3 ARG 29 -0.865 1.115 7.771 219 HD2 ARG 29 HD2 ARG 29 -2.844 0.923 9.116 220 HD3 ARG 29 HD3 ARG 29 -3.523 -0.325 8.061 221 HE ARG 29 HE ARG 29 -1.118 -0.687 9.752 222 HH11 ARG 29 HH11 ARG 29 -4.076 -1.991 8.343 223 HH12 ARG 29 HH12 ARG 29 -3.867 -3.554 9.065 224 HH21 ARG 29 HH21 ARG 29 -0.846 -2.739 10.649 225 HH22 ARG 29 HH22 ARG 29 -2.030 -3.972 10.371 226 H ARG 30 H ARG 30 0.795 0.916 5.750 227 HA ARG 30 HA ARG 30 1.792 3.178 7.179 228 HB2 ARG 30 HB2 ARG 30 3.176 0.644 6.231 229 HB3 ARG 30 HB3 ARG 30 3.958 1.866 7.227 230 HG2 ARG 30 HG2 ARG 30 1.497 0.283 8.032 231 HG3 ARG 30 HG3 ARG 30 3.147 -0.091 8.522 232 HD2 ARG 30 HD2 ARG 30 2.099 1.040 10.347 233 HD3 ARG 30 HD3 ARG 30 3.241 2.175 9.635 234 HE ARG 30 HE ARG 30 1.410 3.394 8.714 235 HH11 ARG 30 HH11 ARG 30 0.407 0.929 11.051 236 HH12 ARG 30 HH12 ARG 30 -1.152 1.659 11.294 237 HH21 ARG 30 HH21 ARG 30 -0.635 4.244 8.982 238 HH22 ARG 30 HH22 ARG 30 -1.733 3.535 10.117 239 H THR 31 H THR 31 2.671 1.668 4.048 240 HA THR 31 HA THR 31 4.498 3.604 3.163 241 HB THR 31 HB THR 31 2.607 1.894 1.479 242 HG1 THR 31 HG1 THR 31 4.028 0.693 2.796 243 HG21 THR 31 HG21 THR 31 4.195 2.215 -0.383 244 HG22 THR 31 HG22 THR 31 5.168 3.302 0.609 245 HG23 THR 31 HG23 THR 31 3.539 3.774 0.128 246 H LYS 32 H LYS 32 0.968 3.508 2.929 247 HA LYS 32 HA LYS 32 0.430 5.768 1.408 248 HB2 LYS 32 HB2 LYS 32 -1.073 4.236 3.515 249 HB3 LYS 32 HB3 LYS 32 -1.717 5.802 3.060 250 HG2 LYS 32 HG2 LYS 32 -1.124 3.614 1.033 251 HG3 LYS 32 HG3 LYS 32 -2.683 3.775 1.841 252 HD2 LYS 32 HD2 LYS 32 -1.384 5.953 0.144 253 HD3 LYS 32 HD3 LYS 32 -2.641 4.845 -0.418 254 HE2 LYS 32 HE2 LYS 32 -4.230 5.739 1.194 255 HE3 LYS 32 HE3 LYS 32 -2.976 6.746 1.924 256 HZ1 LYS 32 HZ1 LYS 32 -3.893 7.014 -0.881 257 HZ2 LYS 32 HZ2 LYS 32 -2.833 8.034 -0.062 258 HZ3 LYS 32 HZ3 LYS 32 -4.459 7.957 0.397 259 H GLU 33 H GLU 33 0.775 5.556 4.985 260 HA GLU 33 HA GLU 33 0.426 8.363 5.390 261 HB2 GLU 33 HB2 GLU 33 1.728 6.418 7.334 262 HB3 GLU 33 HB3 GLU 33 1.020 7.977 7.723 263 HG2 GLU 33 HG2 GLU 33 -0.360 5.389 7.045 264 HG3 GLU 33 HG3 GLU 33 -0.524 6.368 8.487 265 H GLU 34 H GLU 34 3.248 6.370 4.754 266 HA GLU 34 HA GLU 34 5.221 8.220 5.731 267 HB2 GLU 34 HB2 GLU 34 5.509 5.788 3.916 268 HB3 GLU 34 HB3 GLU 34 6.863 6.712 4.553 269 HG2 GLU 34 HG2 GLU 34 4.899 5.028 6.111 270 HG3 GLU 34 HG3 GLU 34 6.618 4.738 5.888 271 H GLU 35 H GLU 35 3.804 7.558 2.558 272 HA GLU 35 HA GLU 35 5.539 9.436 1.182 273 HB2 GLU 35 HB2 GLU 35 2.982 8.123 0.176 274 HB3 GLU 35 HB3 GLU 35 4.229 8.888 -0.803 275 HG2 GLU 35 HG2 GLU 35 4.518 6.342 0.810 276 HG3 GLU 35 HG3 GLU 35 4.380 6.455 -0.931 277 H CYS 36 H CYS 36 2.326 9.385 2.619 278 HA CYS 36 HA CYS 36 1.549 11.963 1.493 279 HB2 CYS 36 HB2 CYS 36 0.050 10.008 3.248 280 HB3 CYS 36 HB3 CYS 36 -0.631 11.530 2.664 281 H ARG 37 H ARG 37 3.347 11.104 4.185 282 HA ARG 37 HA ARG 37 2.531 13.272 5.900 283 HB2 ARG 37 HB2 ARG 37 4.596 12.932 7.125 284 HB3 ARG 37 HB3 ARG 37 3.897 11.361 6.761 285 HG2 ARG 37 HG2 ARG 37 5.537 10.899 5.097 286 HG3 ARG 37 HG3 ARG 37 6.104 12.569 5.071 287 HD2 ARG 37 HD2 ARG 37 7.720 11.232 6.242 288 HD3 ARG 37 HD3 ARG 37 6.915 12.276 7.411 289 HE ARG 37 HE ARG 37 5.849 9.576 7.166 290 HH11 ARG 37 HH11 ARG 37 8.037 11.708 8.941 291 HH12 ARG 37 HH12 ARG 37 8.106 10.666 10.325 292 HH21 ARG 37 HH21 ARG 37 6.039 8.197 8.979 293 HH22 ARG 37 HH22 ARG 37 6.984 8.695 10.346 294 H LYS 38 H LYS 38 4.461 12.932 3.043 295 HA LYS 38 HA LYS 38 5.825 15.490 3.205 296 HB2 LYS 38 HB2 LYS 38 5.591 13.531 0.877 297 HB3 LYS 38 HB3 LYS 38 6.708 14.887 0.971 298 HG2 LYS 38 HG2 LYS 38 6.722 12.455 2.784 299 HG3 LYS 38 HG3 LYS 38 7.800 12.715 1.411 300 HD2 LYS 38 HD2 LYS 38 8.699 14.764 2.579 301 HD3 LYS 38 HD3 LYS 38 7.676 14.375 3.964 302 HE2 LYS 38 HE2 LYS 38 8.880 12.240 4.250 303 HE3 LYS 38 HE3 LYS 38 9.907 12.627 2.865 304 HZ1 LYS 38 HZ1 LYS 38 9.748 14.157 5.407 305 HZ2 LYS 38 HZ2 LYS 38 10.685 14.593 4.081 306 HZ3 LYS 38 HZ3 LYS 38 11.026 13.167 4.922 Start of MODEL 12 1 H1 GLN 1 H1 GLN 1 -2.841 -12.146 -4.378 2 H2 GLN 1 H2 GLN 1 -1.453 -12.605 -5.206 3 H3 GLN 1 H3 GLN 1 -2.963 -13.061 -5.794 4 HA GLN 1 HA GLN 1 -2.015 -11.260 -7.066 5 HB2 GLN 1 HB2 GLN 1 -4.531 -10.750 -5.457 6 HB3 GLN 1 HB3 GLN 1 -3.967 -9.530 -6.594 7 HG2 GLN 1 HG2 GLN 1 -5.720 -10.980 -7.552 8 HG3 GLN 1 HG3 GLN 1 -4.212 -11.060 -8.451 9 HE21 GLN 1 HE21 GLN 1 -3.045 -13.002 -8.475 10 HE22 GLN 1 HE22 GLN 1 -3.730 -14.492 -7.927 11 H CYS 2 H CYS 2 -1.786 -8.860 -7.093 12 HA CYS 2 HA CYS 2 -0.288 -7.908 -4.728 13 HB2 CYS 2 HB2 CYS 2 0.236 -7.326 -7.671 14 HB3 CYS 2 HB3 CYS 2 1.191 -6.747 -6.306 15 H TYR 3 H TYR 3 -1.251 -6.195 -3.807 16 HA TYR 3 HA TYR 3 -3.532 -4.896 -4.961 17 HB2 TYR 3 HB2 TYR 3 -3.177 -5.438 -2.494 18 HB3 TYR 3 HB3 TYR 3 -2.027 -4.112 -2.426 19 HD1 TYR 3 HD2 TYR 3 -5.426 -4.457 -4.013 20 HD2 TYR 3 HD1 TYR 3 -3.016 -2.328 -1.166 21 HE1 TYR 3 HE2 TYR 3 -7.309 -2.962 -3.540 22 HE2 TYR 3 HE1 TYR 3 -4.928 -0.860 -0.687 23 HH TYR 3 HH TYR 3 -8.110 -1.501 -1.753 24 H THR 4 H THR 4 -3.468 -3.174 -6.285 25 HA THR 4 HA THR 4 -1.159 -1.349 -6.269 26 HB THR 4 HB THR 4 -3.402 -1.587 -8.337 27 HG1 THR 4 HG1 THR 4 -0.681 -2.450 -8.481 28 HG21 THR 4 HG21 THR 4 -1.956 -0.178 -9.754 29 HG22 THR 4 HG22 THR 4 -0.779 -0.042 -8.449 30 HG23 THR 4 HG23 THR 4 -2.379 0.681 -8.269 31 H PHE 5 H PHE 5 -1.404 0.588 -5.315 32 HA PHE 5 HA PHE 5 -4.060 1.733 -4.788 33 HB2 PHE 5 HB2 PHE 5 -3.426 1.944 -2.326 34 HB3 PHE 5 HB3 PHE 5 -3.842 0.336 -2.877 35 HD1 PHE 5 HD2 PHE 5 -1.977 -1.307 -3.338 36 HD2 PHE 5 HD1 PHE 5 -1.284 2.334 -1.261 37 HE1 PHE 5 HE2 PHE 5 0.044 -2.260 -2.387 38 HE2 PHE 5 HE1 PHE 5 0.762 1.378 -0.295 39 HZ PHE 5 HZ PHE 5 1.407 -0.947 -0.850 40 H ARG 6 H ARG 6 -4.013 3.915 -4.570 41 HA ARG 6 HA ARG 6 -1.472 5.226 -5.286 42 HB2 ARG 6 HB2 ARG 6 -3.345 5.171 -6.986 43 HB3 ARG 6 HB3 ARG 6 -4.316 6.134 -5.878 44 HG2 ARG 6 HG2 ARG 6 -2.606 7.965 -6.029 45 HG3 ARG 6 HG3 ARG 6 -1.708 6.987 -7.192 46 HD2 ARG 6 HD2 ARG 6 -3.957 6.960 -8.529 47 HD3 ARG 6 HD3 ARG 6 -4.382 8.339 -7.522 48 HE ARG 6 HE ARG 6 -2.497 9.535 -8.477 49 HH11 ARG 6 HH11 ARG 6 -3.496 6.629 -10.183 50 HH12 ARG 6 HH12 ARG 6 -2.767 7.107 -11.683 51 HH21 ARG 6 HH21 ARG 6 -1.557 10.171 -10.442 52 HH22 ARG 6 HH22 ARG 6 -1.661 9.136 -11.828 53 H SER 7 H SER 7 -0.645 6.518 -3.754 54 HA SER 7 HA SER 7 -2.282 7.881 -1.748 55 HB2 SER 7 HB2 SER 7 -0.022 7.140 -1.114 56 HB3 SER 7 HB3 SER 7 0.694 8.078 -2.424 57 HG SER 7 HG SER 7 -0.717 9.103 -0.176 58 H GLU 8 H GLU 8 -3.529 9.486 -2.537 59 HA GLU 8 HA GLU 8 -3.076 10.790 -5.033 60 HB2 GLU 8 HB2 GLU 8 -5.077 11.404 -2.822 61 HB3 GLU 8 HB3 GLU 8 -5.112 12.115 -4.435 62 HG2 GLU 8 HG2 GLU 8 -5.477 9.887 -5.435 63 HG3 GLU 8 HG3 GLU 8 -5.384 9.145 -3.837 64 H CYS 9 H CYS 9 -2.208 11.596 -1.746 65 HA CYS 9 HA CYS 9 -1.640 14.389 -2.185 66 HB2 CYS 9 HB2 CYS 9 -0.371 14.040 0.063 67 HB3 CYS 9 HB3 CYS 9 -2.119 13.811 0.049 68 H THR 10 H THR 10 -0.075 11.639 -3.287 69 HA THR 10 HA THR 10 2.338 13.213 -3.946 70 HB THR 10 HB THR 10 3.582 11.044 -4.180 71 HG1 THR 10 HG1 THR 10 1.719 9.683 -2.618 72 HG21 THR 10 HG21 THR 10 2.456 11.496 -1.393 73 HG22 THR 10 HG22 THR 10 3.848 12.328 -2.089 74 HG23 THR 10 HG23 THR 10 3.924 10.592 -1.773 75 H ASN 11 H ASN 11 -0.419 11.498 -4.905 76 HA ASN 11 HA ASN 11 -1.447 10.945 -6.807 77 HB2 ASN 11 HB2 ASN 11 -0.832 13.321 -7.356 78 HB3 ASN 11 HB3 ASN 11 0.605 12.726 -8.168 79 HD21 ASN 11 HD21 ASN 11 0.006 13.529 -10.200 80 HD22 ASN 11 HD22 ASN 11 -1.351 12.937 -11.092 81 H LYS 12 H LYS 12 0.924 9.412 -5.786 82 HA LYS 12 HA LYS 12 1.782 7.985 -8.238 83 HB2 LYS 12 HB2 LYS 12 3.679 8.897 -6.935 84 HB3 LYS 12 HB3 LYS 12 3.108 8.072 -5.488 85 HG2 LYS 12 HG2 LYS 12 3.437 5.880 -6.674 86 HG3 LYS 12 HG3 LYS 12 4.145 6.763 -8.028 87 HD2 LYS 12 HD2 LYS 12 5.999 7.526 -6.609 88 HD3 LYS 12 HD3 LYS 12 5.248 6.797 -5.184 89 HE2 LYS 12 HE2 LYS 12 5.489 4.560 -6.231 90 HE3 LYS 12 HE3 LYS 12 6.285 5.304 -7.617 91 HZ1 LYS 12 HZ1 LYS 12 8.056 6.038 -6.146 92 HZ2 LYS 12 HZ2 LYS 12 7.877 4.361 -6.070 93 HZ3 LYS 12 HZ3 LYS 12 7.286 5.335 -4.819 94 H GLU 13 H GLU 13 1.109 5.948 -8.504 95 HA GLU 13 HA GLU 13 -0.288 4.528 -6.358 96 HB2 GLU 13 HB2 GLU 13 -0.810 2.839 -8.112 97 HB3 GLU 13 HB3 GLU 13 -1.361 4.457 -8.538 98 HG2 GLU 13 HG2 GLU 13 0.558 4.730 -10.055 99 HG3 GLU 13 HG3 GLU 13 1.154 3.127 -9.609 100 H PHE 14 H PHE 14 0.330 2.452 -5.677 101 HA PHE 14 HA PHE 14 3.154 1.654 -6.002 102 HB2 PHE 14 HB2 PHE 14 1.623 1.203 -3.412 103 HB3 PHE 14 HB3 PHE 14 3.363 1.206 -3.668 104 HD1 PHE 14 HD2 PHE 14 4.434 3.525 -4.309 105 HD2 PHE 14 HD1 PHE 14 0.593 3.082 -2.499 106 HE1 PHE 14 HE2 PHE 14 4.517 5.844 -3.517 107 HE2 PHE 14 HE1 PHE 14 0.685 5.384 -1.716 108 HZ PHE 14 HZ PHE 14 2.635 6.780 -2.213 109 H THR 15 H THR 15 3.414 -0.735 -5.572 110 HA THR 15 HA THR 15 0.924 -2.298 -5.524 111 HB THR 15 HB THR 15 3.194 -2.909 -7.467 112 HG1 THR 15 HG1 THR 15 1.897 -1.048 -8.077 113 HG21 THR 15 HG21 THR 15 1.954 -4.926 -6.728 114 HG22 THR 15 HG22 THR 15 1.644 -4.565 -8.431 115 HG23 THR 15 HG23 THR 15 0.439 -4.156 -7.209 116 H VAL 16 H VAL 16 1.052 -3.903 -4.023 117 HA VAL 16 HA VAL 16 3.718 -4.922 -3.218 118 HB VAL 16 HB VAL 16 2.784 -3.252 -1.551 119 HG11 VAL 16 HG11 VAL 16 0.745 -5.401 -0.894 120 HG12 VAL 16 HG12 VAL 16 0.390 -3.860 -1.671 121 HG13 VAL 16 HG13 VAL 16 0.992 -3.889 -0.013 122 HG21 VAL 16 HG21 VAL 16 3.256 -6.058 -0.482 123 HG22 VAL 16 HG22 VAL 16 3.422 -4.560 0.441 124 HG23 VAL 16 HG23 VAL 16 4.507 -4.889 -0.911 125 H CYS 17 H CYS 17 3.824 -7.076 -2.831 126 HA CYS 17 HA CYS 17 1.464 -8.714 -3.554 127 HB2 CYS 17 HB2 CYS 17 4.411 -9.349 -3.963 128 HB3 CYS 17 HB3 CYS 17 3.048 -10.339 -4.480 129 H ARG 18 H ARG 18 0.649 -9.285 -1.602 130 HA ARG 18 HA ARG 18 2.383 -10.747 0.304 131 HB2 ARG 18 HB2 ARG 18 0.132 -8.803 0.941 132 HB3 ARG 18 HB3 ARG 18 0.848 -9.878 2.132 133 HG2 ARG 18 HG2 ARG 18 2.365 -7.712 0.624 134 HG3 ARG 18 HG3 ARG 18 1.721 -7.554 2.261 135 HD2 ARG 18 HD2 ARG 18 3.150 -9.496 2.954 136 HD3 ARG 18 HD3 ARG 18 3.869 -9.496 1.341 137 HE ARG 18 HE ARG 18 4.305 -6.968 2.112 138 HH11 ARG 18 HH11 ARG 18 4.833 -9.974 3.882 139 HH12 ARG 18 HH12 ARG 18 6.162 -9.342 4.800 140 HH21 ARG 18 HH21 ARG 18 6.016 -6.144 3.351 141 HH22 ARG 18 HH22 ARG 18 6.829 -7.162 4.493 142 HA PRO 19 HA PRO 19 -0.528 -14.057 -0.448 143 HB2 PRO 19 HB2 PRO 19 -0.007 -15.668 1.732 144 HB3 PRO 19 HB3 PRO 19 1.087 -15.515 0.343 145 HG2 PRO 19 HG2 PRO 19 1.241 -14.132 3.006 146 HG3 PRO 19 HG3 PRO 19 2.537 -14.911 2.068 147 HD2 PRO 19 HD2 PRO 19 2.194 -12.222 2.049 148 HD3 PRO 19 HD3 PRO 19 2.760 -13.100 0.607 149 H ASN 20 H ASN 20 -0.698 -12.174 2.504 150 HA ASN 20 HA ASN 20 -3.530 -12.986 2.898 151 HB2 ASN 20 HB2 ASN 20 -1.616 -11.892 5.009 152 HB3 ASN 20 HB3 ASN 20 -3.306 -12.301 5.274 153 HD21 ASN 20 HD21 ASN 20 -0.110 -13.540 4.858 154 HD22 ASN 20 HD22 ASN 20 -0.473 -15.148 5.313 155 HA PRO 21 HA PRO 21 -4.636 -8.577 2.250 156 HB2 PRO 21 HB2 PRO 21 -7.047 -8.708 3.693 157 HB3 PRO 21 HB3 PRO 21 -6.869 -9.078 1.967 158 HG2 PRO 21 HG2 PRO 21 -6.960 -10.963 4.289 159 HG3 PRO 21 HG3 PRO 21 -7.690 -11.127 2.676 160 HD2 PRO 21 HD2 PRO 21 -5.424 -12.455 3.333 161 HD3 PRO 21 HD3 PRO 21 -5.671 -11.821 1.689 162 H GLU 22 H GLU 22 -4.484 -10.340 5.285 163 HA GLU 22 HA GLU 22 -4.554 -8.360 7.209 164 HB2 GLU 22 HB2 GLU 22 -4.206 -10.965 7.437 165 HB3 GLU 22 HB3 GLU 22 -2.501 -10.611 7.297 166 HG2 GLU 22 HG2 GLU 22 -4.236 -9.330 9.422 167 HG3 GLU 22 HG3 GLU 22 -3.457 -10.889 9.663 168 H GLU 23 H GLU 23 -1.718 -9.587 5.464 169 HA GLU 23 HA GLU 23 0.136 -7.640 6.333 170 HB2 GLU 23 HB2 GLU 23 0.165 -9.508 3.938 171 HB3 GLU 23 HB3 GLU 23 1.547 -8.545 4.460 172 HG2 GLU 23 HG2 GLU 23 1.598 -9.757 6.603 173 HG3 GLU 23 HG3 GLU 23 0.191 -10.703 6.111 174 H VAL 24 H VAL 24 -1.870 -7.929 3.364 175 HA VAL 24 HA VAL 24 -0.716 -5.886 1.859 176 HB VAL 24 HB VAL 24 -3.549 -6.990 1.829 177 HG11 VAL 24 HG11 VAL 24 -3.770 -4.707 1.004 178 HG12 VAL 24 HG12 VAL 24 -3.872 -5.814 -0.367 179 HG13 VAL 24 HG13 VAL 24 -2.377 -4.912 -0.067 180 HG21 VAL 24 HG21 VAL 24 -2.820 -8.033 -0.310 181 HG22 VAL 24 HG22 VAL 24 -1.796 -8.529 1.041 182 HG23 VAL 24 HG23 VAL 24 -1.216 -7.313 -0.101 183 H GLU 25 H GLU 25 -3.433 -5.641 4.192 184 HA GLU 25 HA GLU 25 -4.039 -2.905 3.721 185 HB2 GLU 25 HB2 GLU 25 -4.601 -4.612 6.179 186 HB3 GLU 25 HB3 GLU 25 -5.346 -3.048 5.836 187 HG2 GLU 25 HG2 GLU 25 -6.433 -3.978 3.832 188 HG3 GLU 25 HG3 GLU 25 -5.642 -5.533 4.107 189 H LYS 26 H LYS 26 -1.876 -4.568 5.929 190 HA LYS 26 HA LYS 26 -1.017 -2.400 7.510 191 HB2 LYS 26 HB2 LYS 26 -0.598 -4.713 8.171 192 HB3 LYS 26 HB3 LYS 26 0.346 -4.996 6.715 193 HG2 LYS 26 HG2 LYS 26 2.038 -3.342 7.550 194 HG3 LYS 26 HG3 LYS 26 1.124 -3.231 9.060 195 HD2 LYS 26 HD2 LYS 26 1.481 -5.631 9.475 196 HD3 LYS 26 HD3 LYS 26 2.318 -5.796 7.930 197 HE2 LYS 26 HE2 LYS 26 4.105 -4.315 8.733 198 HE3 LYS 26 HE3 LYS 26 3.258 -4.105 10.267 199 HZ1 LYS 26 HZ1 LYS 26 4.342 -6.658 9.215 200 HZ2 LYS 26 HZ2 LYS 26 3.493 -6.476 10.664 201 HZ3 LYS 26 HZ3 LYS 26 4.998 -5.735 10.469 202 H GLU 27 H GLU 27 0.204 -3.797 4.475 203 HA GLU 27 HA GLU 27 2.426 -2.029 4.187 204 HB2 GLU 27 HB2 GLU 27 1.048 -3.687 2.027 205 HB3 GLU 27 HB3 GLU 27 2.659 -2.988 1.937 206 HG2 GLU 27 HG2 GLU 27 1.777 -5.211 3.791 207 HG3 GLU 27 HG3 GLU 27 2.738 -5.398 2.336 208 H ALA 28 H ALA 28 -0.941 -1.994 3.230 209 HA ALA 28 HA ALA 28 -0.785 -0.156 1.091 210 HB1 ALA 28 HB1 ALA 28 -3.232 -0.053 1.216 211 HB2 ALA 28 HB2 ALA 28 -3.203 -0.875 2.781 212 HB3 ALA 28 HB3 ALA 28 -2.669 -1.723 1.328 213 H ARG 29 H ARG 29 -1.795 0.211 4.499 214 HA ARG 29 HA ARG 29 -2.193 3.011 4.335 215 HB2 ARG 29 HB2 ARG 29 -2.318 2.972 6.810 216 HB3 ARG 29 HB3 ARG 29 -3.322 1.736 6.065 217 HG2 ARG 29 HG2 ARG 29 -1.614 0.018 6.620 218 HG3 ARG 29 HG3 ARG 29 -0.625 1.260 7.392 219 HD2 ARG 29 HD2 ARG 29 -2.376 1.652 9.058 220 HD3 ARG 29 HD3 ARG 29 -3.443 0.499 8.254 221 HE ARG 29 HE ARG 29 -0.966 -0.148 9.729 222 HH11 ARG 29 HH11 ARG 29 -4.034 -1.220 8.368 223 HH12 ARG 29 HH12 ARG 29 -3.955 -2.783 9.119 224 HH21 ARG 29 HH21 ARG 29 -0.888 -2.191 10.718 225 HH22 ARG 29 HH22 ARG 29 -2.167 -3.336 10.454 226 H ARG 30 H ARG 30 0.569 1.069 5.587 227 HA ARG 30 HA ARG 30 2.003 3.268 6.630 228 HB2 ARG 30 HB2 ARG 30 2.880 0.462 5.875 229 HB3 ARG 30 HB3 ARG 30 3.957 1.622 6.642 230 HG2 ARG 30 HG2 ARG 30 1.367 0.622 7.862 231 HG3 ARG 30 HG3 ARG 30 2.959 -0.049 8.196 232 HD2 ARG 30 HD2 ARG 30 2.791 1.359 9.992 233 HD3 ARG 30 HD3 ARG 30 3.498 2.494 8.849 234 HE ARG 30 HE ARG 30 1.160 3.307 8.457 235 HH11 ARG 30 HH11 ARG 30 1.934 1.683 11.505 236 HH12 ARG 30 HH12 ARG 30 0.656 2.459 12.380 237 HH21 ARG 30 HH21 ARG 30 -0.492 4.338 9.642 238 HH22 ARG 30 HH22 ARG 30 -0.718 3.963 11.320 239 H THR 31 H THR 31 2.213 1.611 3.459 240 HA THR 31 HA THR 31 4.518 2.964 2.519 241 HB THR 31 HB THR 31 2.262 1.712 0.897 242 HG1 THR 31 HG1 THR 31 3.614 0.364 2.396 243 HG21 THR 31 HG21 THR 31 3.559 3.247 -0.534 244 HG22 THR 31 HG22 THR 31 3.929 1.571 -0.953 245 HG23 THR 31 HG23 THR 31 5.065 2.509 0.019 246 H LYS 32 H LYS 32 1.007 3.591 1.991 247 HA LYS 32 HA LYS 32 1.250 5.838 0.353 248 HB2 LYS 32 HB2 LYS 32 -0.937 5.165 2.350 249 HB3 LYS 32 HB3 LYS 32 -1.031 6.511 1.217 250 HG2 LYS 32 HG2 LYS 32 -0.830 4.812 -0.662 251 HG3 LYS 32 HG3 LYS 32 -1.024 3.544 0.563 252 HD2 LYS 32 HD2 LYS 32 -3.165 4.699 1.282 253 HD3 LYS 32 HD3 LYS 32 -2.979 5.776 -0.104 254 HE2 LYS 32 HE2 LYS 32 -3.162 3.857 -1.614 255 HE3 LYS 32 HE3 LYS 32 -3.309 2.774 -0.227 256 HZ1 LYS 32 HZ1 LYS 32 -5.206 4.914 -1.011 257 HZ2 LYS 32 HZ2 LYS 32 -5.347 3.985 0.394 258 HZ3 LYS 32 HZ3 LYS 32 -5.462 3.249 -1.126 259 H GLU 33 H GLU 33 0.860 5.652 3.894 260 HA GLU 33 HA GLU 33 0.730 8.387 4.469 261 HB2 GLU 33 HB2 GLU 33 1.653 6.065 6.213 262 HB3 GLU 33 HB3 GLU 33 1.345 7.691 6.821 263 HG2 GLU 33 HG2 GLU 33 -1.021 7.523 6.248 264 HG3 GLU 33 HG3 GLU 33 -0.758 5.962 5.471 265 H GLU 34 H GLU 34 3.536 6.162 4.547 266 HA GLU 34 HA GLU 34 5.411 8.013 5.561 267 HB2 GLU 34 HB2 GLU 34 5.683 5.541 5.611 268 HB3 GLU 34 HB3 GLU 34 5.933 5.535 3.867 269 HG2 GLU 34 HG2 GLU 34 8.006 6.764 4.085 270 HG3 GLU 34 HG3 GLU 34 7.722 7.046 5.803 271 H GLU 35 H GLU 35 4.573 7.120 2.224 272 HA GLU 35 HA GLU 35 6.364 8.949 0.962 273 HB2 GLU 35 HB2 GLU 35 4.055 7.235 0.093 274 HB3 GLU 35 HB3 GLU 35 4.504 8.558 -0.972 275 HG2 GLU 35 HG2 GLU 35 5.554 6.417 -1.608 276 HG3 GLU 35 HG3 GLU 35 6.725 7.681 -1.255 277 H CYS 36 H CYS 36 3.172 9.274 2.349 278 HA CYS 36 HA CYS 36 2.426 11.651 0.864 279 HB2 CYS 36 HB2 CYS 36 0.767 9.944 1.616 280 HB3 CYS 36 HB3 CYS 36 1.101 10.367 3.290 281 H ARG 37 H ARG 37 4.245 11.040 3.718 282 HA ARG 37 HA ARG 37 4.144 13.868 4.502 283 HB2 ARG 37 HB2 ARG 37 3.657 13.423 6.830 284 HB3 ARG 37 HB3 ARG 37 2.375 12.700 5.860 285 HG2 ARG 37 HG2 ARG 37 3.344 10.475 6.172 286 HG3 ARG 37 HG3 ARG 37 4.725 11.157 7.028 287 HD2 ARG 37 HD2 ARG 37 3.257 11.901 8.840 288 HD3 ARG 37 HD3 ARG 37 1.846 11.299 7.966 289 HE ARG 37 HE ARG 37 2.477 9.111 8.436 290 HH11 ARG 37 HH11 ARG 37 4.827 11.326 9.847 291 HH12 ARG 37 HH12 ARG 37 5.502 10.117 10.890 292 HH21 ARG 37 HH21 ARG 37 3.372 7.558 9.816 293 HH22 ARG 37 HH22 ARG 37 4.675 7.982 10.868 294 H LYS 38 H LYS 38 5.523 13.874 6.704 295 HA LYS 38 HA LYS 38 8.222 13.083 5.965 296 HB2 LYS 38 HB2 LYS 38 8.864 14.626 7.862 297 HB3 LYS 38 HB3 LYS 38 7.983 15.402 6.550 298 HG2 LYS 38 HG2 LYS 38 5.873 15.183 7.940 299 HG3 LYS 38 HG3 LYS 38 6.880 14.613 9.275 300 HD2 LYS 38 HD2 LYS 38 8.101 16.769 9.272 301 HD3 LYS 38 HD3 LYS 38 7.120 17.334 7.918 302 HE2 LYS 38 HE2 LYS 38 5.087 17.154 9.355 303 HE3 LYS 38 HE3 LYS 38 6.105 16.663 10.710 304 HZ1 LYS 38 HZ1 LYS 38 6.246 19.275 9.287 305 HZ2 LYS 38 HZ2 LYS 38 7.221 18.810 10.590 306 HZ3 LYS 38 HZ3 LYS 38 5.558 19.016 10.809 Start of MODEL 13 1 H1 GLN 1 H1 GLN 1 -3.973 -12.182 -8.833 2 H2 GLN 1 H2 GLN 1 -3.085 -12.369 -7.408 3 H3 GLN 1 H3 GLN 1 -2.427 -11.518 -8.710 4 HA GLN 1 HA GLN 1 -4.024 -9.786 -8.504 5 HB2 GLN 1 HB2 GLN 1 -5.111 -11.435 -6.179 6 HB3 GLN 1 HB3 GLN 1 -5.619 -9.793 -6.569 7 HG2 GLN 1 HG2 GLN 1 -6.501 -10.572 -8.734 8 HG3 GLN 1 HG3 GLN 1 -5.980 -12.214 -8.361 9 HE21 GLN 1 HE21 GLN 1 -8.301 -9.720 -7.656 10 HE22 GLN 1 HE22 GLN 1 -9.395 -10.701 -6.749 11 H CYS 2 H CYS 2 -3.222 -8.039 -7.493 12 HA CYS 2 HA CYS 2 -1.707 -8.207 -4.988 13 HB2 CYS 2 HB2 CYS 2 -0.592 -7.001 -7.566 14 HB3 CYS 2 HB3 CYS 2 0.186 -6.956 -5.983 15 H TYR 3 H TYR 3 -2.050 -6.401 -3.741 16 HA TYR 3 HA TYR 3 -4.279 -4.778 -4.371 17 HB2 TYR 3 HB2 TYR 3 -3.656 -5.472 -2.045 18 HB3 TYR 3 HB3 TYR 3 -2.282 -4.396 -2.111 19 HD1 TYR 3 HD2 TYR 3 -5.851 -3.827 -3.209 20 HD2 TYR 3 HD1 TYR 3 -2.718 -2.713 -0.519 21 HE1 TYR 3 HE2 TYR 3 -7.235 -1.983 -2.354 22 HE2 TYR 3 HE1 TYR 3 -4.109 -0.890 0.333 23 HH TYR 3 HH TYR 3 -5.981 0.505 -0.402 24 H THR 4 H THR 4 -4.299 -3.092 -5.684 25 HA THR 4 HA THR 4 -1.925 -1.408 -6.096 26 HB THR 4 HB THR 4 -4.530 -1.497 -7.684 27 HG1 THR 4 HG1 THR 4 -3.034 -3.412 -7.689 28 HG21 THR 4 HG21 THR 4 -3.337 0.679 -7.902 29 HG22 THR 4 HG22 THR 4 -3.263 -0.241 -9.405 30 HG23 THR 4 HG23 THR 4 -1.857 -0.185 -8.343 31 H PHE 5 H PHE 5 -1.804 0.553 -5.198 32 HA PHE 5 HA PHE 5 -4.155 2.149 -4.487 33 HB2 PHE 5 HB2 PHE 5 -3.182 2.568 -2.153 34 HB3 PHE 5 HB3 PHE 5 -3.894 0.983 -2.403 35 HD1 PHE 5 HD2 PHE 5 -2.349 -0.988 -2.852 36 HD2 PHE 5 HD1 PHE 5 -0.894 2.745 -1.380 37 HE1 PHE 5 HE2 PHE 5 -0.357 -2.114 -2.025 38 HE2 PHE 5 HE1 PHE 5 1.129 1.613 -0.544 39 HZ PHE 5 HZ PHE 5 1.397 -0.822 -0.859 40 H ARG 6 H ARG 6 -3.705 4.340 -4.555 41 HA ARG 6 HA ARG 6 -0.975 5.138 -5.403 42 HB2 ARG 6 HB2 ARG 6 -2.574 5.021 -7.309 43 HB3 ARG 6 HB3 ARG 6 -3.653 6.137 -6.480 44 HG2 ARG 6 HG2 ARG 6 -1.931 7.919 -6.638 45 HG3 ARG 6 HG3 ARG 6 -0.845 6.789 -7.444 46 HD2 ARG 6 HD2 ARG 6 -2.596 6.552 -9.267 47 HD3 ARG 6 HD3 ARG 6 -3.477 7.873 -8.490 48 HE ARG 6 HE ARG 6 -0.742 8.523 -9.106 49 HH11 ARG 6 HH11 ARG 6 -3.996 8.417 -10.461 50 HH12 ARG 6 HH12 ARG 6 -3.648 9.598 -11.685 51 HH21 ARG 6 HH21 ARG 6 -0.282 10.006 -10.757 52 HH22 ARG 6 HH22 ARG 6 -1.543 10.495 -11.848 53 H SER 7 H SER 7 -0.109 6.575 -4.048 54 HA SER 7 HA SER 7 -1.728 8.232 -2.271 55 HB2 SER 7 HB2 SER 7 0.407 7.267 -1.426 56 HB3 SER 7 HB3 SER 7 1.299 8.154 -2.663 57 HG SER 7 HG SER 7 0.412 8.995 -0.253 58 H GLU 8 H GLU 8 -2.625 10.007 -3.059 59 HA GLU 8 HA GLU 8 -1.999 11.208 -5.550 60 HB2 GLU 8 HB2 GLU 8 -4.267 11.197 -4.502 61 HB3 GLU 8 HB3 GLU 8 -3.696 12.317 -3.270 62 HG2 GLU 8 HG2 GLU 8 -3.169 13.943 -5.171 63 HG3 GLU 8 HG3 GLU 8 -4.026 12.837 -6.243 64 H CYS 9 H CYS 9 -0.942 11.822 -2.277 65 HA CYS 9 HA CYS 9 -0.030 14.486 -2.501 66 HB2 CYS 9 HB2 CYS 9 0.919 12.241 -0.683 67 HB3 CYS 9 HB3 CYS 9 1.343 13.939 -0.476 68 H THR 10 H THR 10 1.351 11.500 -3.613 69 HA THR 10 HA THR 10 3.795 12.888 -4.567 70 HB THR 10 HB THR 10 4.838 10.563 -4.620 71 HG1 THR 10 HG1 THR 10 3.785 8.977 -3.278 72 HG21 THR 10 HG21 THR 10 5.312 10.448 -2.198 73 HG22 THR 10 HG22 THR 10 3.988 11.566 -1.878 74 HG23 THR 10 HG23 THR 10 5.402 12.110 -2.787 75 H ASN 11 H ASN 11 0.836 11.583 -5.413 76 HA ASN 11 HA ASN 11 -0.232 11.119 -7.345 77 HB2 ASN 11 HB2 ASN 11 0.754 13.279 -7.999 78 HB3 ASN 11 HB3 ASN 11 2.235 12.486 -8.485 79 HD21 ASN 11 HD21 ASN 11 -1.134 13.033 -9.299 80 HD22 ASN 11 HD22 ASN 11 -0.984 12.645 -10.976 81 H LYS 12 H LYS 12 1.644 9.184 -6.124 82 HA LYS 12 HA LYS 12 2.794 7.712 -8.426 83 HB2 LYS 12 HB2 LYS 12 4.412 8.623 -6.756 84 HB3 LYS 12 HB3 LYS 12 3.613 7.702 -5.493 85 HG2 LYS 12 HG2 LYS 12 5.428 6.343 -5.921 86 HG3 LYS 12 HG3 LYS 12 4.246 5.609 -6.995 87 HD2 LYS 12 HD2 LYS 12 6.376 7.615 -7.846 88 HD3 LYS 12 HD3 LYS 12 6.528 5.867 -7.993 89 HE2 LYS 12 HE2 LYS 12 4.590 5.847 -9.546 90 HE3 LYS 12 HE3 LYS 12 4.497 7.607 -9.430 91 HZ1 LYS 12 HZ1 LYS 12 6.784 7.696 -10.313 92 HZ2 LYS 12 HZ2 LYS 12 5.701 6.989 -11.400 93 HZ3 LYS 12 HZ3 LYS 12 6.764 6.020 -10.514 94 H GLU 13 H GLU 13 1.920 5.815 -8.904 95 HA GLU 13 HA GLU 13 0.001 4.479 -7.201 96 HB2 GLU 13 HB2 GLU 13 -0.141 2.831 -9.072 97 HB3 GLU 13 HB3 GLU 13 -0.392 4.489 -9.604 98 HG2 GLU 13 HG2 GLU 13 1.909 4.585 -10.476 99 HG3 GLU 13 HG3 GLU 13 2.206 2.945 -9.905 100 H PHE 14 H PHE 14 0.189 2.338 -6.416 101 HA PHE 14 HA PHE 14 2.866 1.107 -6.226 102 HB2 PHE 14 HB2 PHE 14 1.017 1.368 -3.799 103 HB3 PHE 14 HB3 PHE 14 2.653 0.713 -3.826 104 HD1 PHE 14 HD2 PHE 14 4.585 2.319 -4.421 105 HD2 PHE 14 HD1 PHE 14 0.658 3.660 -3.351 106 HE1 PHE 14 HE2 PHE 14 5.463 4.562 -3.937 107 HE2 PHE 14 HE1 PHE 14 1.557 5.890 -2.881 108 HZ PHE 14 HZ PHE 14 3.952 6.340 -3.179 109 H THR 15 H THR 15 2.823 -1.116 -5.891 110 HA THR 15 HA THR 15 0.244 -2.544 -5.897 111 HB THR 15 HB THR 15 2.560 -3.255 -7.774 112 HG1 THR 15 HG1 THR 15 0.700 -1.316 -8.076 113 HG21 THR 15 HG21 THR 15 -0.329 -4.197 -7.768 114 HG22 THR 15 HG22 THR 15 1.050 -5.142 -7.197 115 HG23 THR 15 HG23 THR 15 0.921 -4.697 -8.902 116 H VAL 16 H VAL 16 0.348 -4.245 -4.393 117 HA VAL 16 HA VAL 16 3.039 -5.190 -3.575 118 HB VAL 16 HB VAL 16 2.233 -3.515 -1.929 119 HG11 VAL 16 HG11 VAL 16 -0.009 -5.445 -1.265 120 HG12 VAL 16 HG12 VAL 16 -0.193 -3.868 -2.036 121 HG13 VAL 16 HG13 VAL 16 0.396 -3.973 -0.375 122 HG21 VAL 16 HG21 VAL 16 3.787 -5.301 -1.239 123 HG22 VAL 16 HG22 VAL 16 2.421 -6.311 -0.762 124 HG23 VAL 16 HG23 VAL 16 2.743 -4.800 0.094 125 H CYS 17 H CYS 17 3.219 -7.260 -3.851 126 HA CYS 17 HA CYS 17 0.872 -9.015 -4.105 127 HB2 CYS 17 HB2 CYS 17 3.764 -9.424 -4.957 128 HB3 CYS 17 HB3 CYS 17 2.451 -10.561 -5.245 129 H ARG 18 H ARG 18 0.533 -9.155 -1.815 130 HA ARG 18 HA ARG 18 2.297 -11.125 -0.477 131 HB2 ARG 18 HB2 ARG 18 0.612 -9.024 0.912 132 HB3 ARG 18 HB3 ARG 18 1.648 -10.222 1.691 133 HG2 ARG 18 HG2 ARG 18 3.596 -9.236 0.446 134 HG3 ARG 18 HG3 ARG 18 2.521 -7.964 -0.125 135 HD2 ARG 18 HD2 ARG 18 3.650 -7.030 1.669 136 HD3 ARG 18 HD3 ARG 18 2.084 -7.471 2.335 137 HE ARG 18 HE ARG 18 3.284 -9.517 3.199 138 HH11 ARG 18 HH11 ARG 18 5.045 -6.482 2.761 139 HH12 ARG 18 HH12 ARG 18 6.215 -6.857 3.984 140 HH21 ARG 18 HH21 ARG 18 4.806 -9.954 4.830 141 HH22 ARG 18 HH22 ARG 18 6.077 -8.817 5.149 142 HA PRO 19 HA PRO 19 -1.026 -13.805 -1.316 143 HB2 PRO 19 HB2 PRO 19 -0.612 -15.923 0.335 144 HB3 PRO 19 HB3 PRO 19 0.596 -15.444 -0.876 145 HG2 PRO 19 HG2 PRO 19 0.542 -14.787 2.064 146 HG3 PRO 19 HG3 PRO 19 1.888 -15.415 1.084 147 HD2 PRO 19 HD2 PRO 19 1.651 -12.760 1.668 148 HD3 PRO 19 HD3 PRO 19 2.362 -13.335 0.145 149 H ASN 20 H ASN 20 -1.320 -12.056 1.466 150 HA ASN 20 HA ASN 20 -4.043 -12.913 2.031 151 HB2 ASN 20 HB2 ASN 20 -3.618 -13.204 4.473 152 HB3 ASN 20 HB3 ASN 20 -2.775 -14.411 3.507 153 HD21 ASN 20 HD21 ASN 20 -2.228 -13.319 6.230 154 HD22 ASN 20 HD22 ASN 20 -0.587 -12.800 6.178 155 HA PRO 21 HA PRO 21 -4.696 -8.501 2.647 156 HB2 PRO 21 HB2 PRO 21 -6.543 -9.418 4.871 157 HB3 PRO 21 HB3 PRO 21 -6.845 -8.264 3.544 158 HG2 PRO 21 HG2 PRO 21 -7.831 -10.704 3.361 159 HG3 PRO 21 HG3 PRO 21 -7.077 -9.946 1.937 160 HD2 PRO 21 HD2 PRO 21 -5.932 -12.050 3.777 161 HD3 PRO 21 HD3 PRO 21 -5.829 -11.919 2.005 162 H GLU 22 H GLU 22 -3.967 -10.517 5.477 163 HA GLU 22 HA GLU 22 -3.801 -8.477 7.423 164 HB2 GLU 22 HB2 GLU 22 -2.278 -11.127 7.469 165 HB3 GLU 22 HB3 GLU 22 -2.618 -10.088 8.847 166 HG2 GLU 22 HG2 GLU 22 -4.202 -11.731 9.140 167 HG3 GLU 22 HG3 GLU 22 -5.129 -10.535 8.240 168 H GLU 23 H GLU 23 -1.266 -10.028 5.491 169 HA GLU 23 HA GLU 23 0.893 -8.453 6.438 170 HB2 GLU 23 HB2 GLU 23 0.559 -10.094 3.892 171 HB3 GLU 23 HB3 GLU 23 2.072 -9.353 4.388 172 HG2 GLU 23 HG2 GLU 23 0.600 -11.408 6.058 173 HG3 GLU 23 HG3 GLU 23 1.832 -11.823 4.875 174 H VAL 24 H VAL 24 -1.223 -8.251 3.568 175 HA VAL 24 HA VAL 24 -0.015 -6.168 2.182 176 HB VAL 24 HB VAL 24 -2.948 -6.997 2.300 177 HG11 VAL 24 HG11 VAL 24 -2.866 -4.657 1.564 178 HG12 VAL 24 HG12 VAL 24 -3.293 -5.706 0.212 179 HG13 VAL 24 HG13 VAL 24 -1.653 -5.065 0.350 180 HG21 VAL 24 HG21 VAL 24 -1.436 -8.698 1.337 181 HG22 VAL 24 HG22 VAL 24 -0.821 -7.510 0.184 182 HG23 VAL 24 HG23 VAL 24 -2.507 -8.034 0.099 183 H GLU 25 H GLU 25 -2.590 -5.937 4.692 184 HA GLU 25 HA GLU 25 -3.140 -3.215 4.123 185 HB2 GLU 25 HB2 GLU 25 -4.676 -3.288 6.094 186 HB3 GLU 25 HB3 GLU 25 -4.950 -4.552 4.914 187 HG2 GLU 25 HG2 GLU 25 -5.253 -5.623 6.950 188 HG3 GLU 25 HG3 GLU 25 -3.631 -6.096 6.467 189 H LYS 26 H LYS 26 -1.059 -4.762 6.483 190 HA LYS 26 HA LYS 26 -0.474 -2.535 8.124 191 HB2 LYS 26 HB2 LYS 26 1.123 -5.033 7.414 192 HB3 LYS 26 HB3 LYS 26 1.689 -3.850 8.597 193 HG2 LYS 26 HG2 LYS 26 -0.281 -4.268 9.992 194 HG3 LYS 26 HG3 LYS 26 -0.910 -5.399 8.788 195 HD2 LYS 26 HD2 LYS 26 1.067 -6.869 9.163 196 HD3 LYS 26 HD3 LYS 26 1.659 -5.741 10.389 197 HE2 LYS 26 HE2 LYS 26 0.501 -7.674 11.409 198 HE3 LYS 26 HE3 LYS 26 -0.337 -6.160 11.764 199 HZ1 LYS 26 HZ1 LYS 26 -1.919 -6.673 10.004 200 HZ2 LYS 26 HZ2 LYS 26 -1.880 -7.915 11.151 201 HZ3 LYS 26 HZ3 LYS 26 -1.109 -8.114 9.656 202 H GLU 27 H GLU 27 0.983 -3.759 5.145 203 HA GLU 27 HA GLU 27 3.102 -1.861 4.972 204 HB2 GLU 27 HB2 GLU 27 1.921 -3.516 2.697 205 HB3 GLU 27 HB3 GLU 27 3.529 -2.804 2.765 206 HG2 GLU 27 HG2 GLU 27 2.486 -5.082 4.456 207 HG3 GLU 27 HG3 GLU 27 3.639 -5.212 3.135 208 H ALA 28 H ALA 28 -0.128 -2.148 3.607 209 HA ALA 28 HA ALA 28 0.145 -0.169 1.594 210 HB1 ALA 28 HB1 ALA 28 -2.239 -0.555 1.196 211 HB2 ALA 28 HB2 ALA 28 -2.369 -1.454 2.715 212 HB3 ALA 28 HB3 ALA 28 -1.379 -2.083 1.396 213 H ARG 29 H ARG 29 -1.463 -0.190 4.786 214 HA ARG 29 HA ARG 29 -2.638 2.367 4.607 215 HB2 ARG 29 HB2 ARG 29 -3.070 2.225 6.986 216 HB3 ARG 29 HB3 ARG 29 -3.276 0.613 6.314 217 HG2 ARG 29 HG2 ARG 29 -0.971 0.028 7.156 218 HG3 ARG 29 HG3 ARG 29 -0.897 1.609 7.926 219 HD2 ARG 29 HD2 ARG 29 -2.889 0.976 9.310 220 HD3 ARG 29 HD3 ARG 29 -2.838 -0.637 8.583 221 HE ARG 29 HE ARG 29 -0.496 0.434 10.027 222 HH11 ARG 29 HH11 ARG 29 -2.983 -2.043 9.790 223 HH12 ARG 29 HH12 ARG 29 -2.250 -3.043 10.995 224 HH21 ARG 29 HH21 ARG 29 0.447 -0.901 11.597 225 HH22 ARG 29 HH22 ARG 29 -0.314 -2.401 12.018 226 H ARG 30 H ARG 30 0.504 1.295 5.867 227 HA ARG 30 HA ARG 30 1.226 3.887 6.872 228 HB2 ARG 30 HB2 ARG 30 2.788 1.298 6.611 229 HB3 ARG 30 HB3 ARG 30 3.478 2.764 7.296 230 HG2 ARG 30 HG2 ARG 30 1.055 1.304 8.389 231 HG3 ARG 30 HG3 ARG 30 2.693 1.151 9.014 232 HD2 ARG 30 HD2 ARG 30 1.560 2.642 10.473 233 HD3 ARG 30 HD3 ARG 30 2.621 3.654 9.491 234 HE ARG 30 HE ARG 30 -0.123 3.410 8.540 235 HH11 ARG 30 HH11 ARG 30 2.073 5.309 10.546 236 HH12 ARG 30 HH12 ARG 30 1.077 6.728 10.488 237 HH21 ARG 30 HH21 ARG 30 -1.394 5.318 8.478 238 HH22 ARG 30 HH22 ARG 30 -0.857 6.730 9.333 239 H THR 31 H THR 31 2.107 1.965 3.983 240 HA THR 31 HA THR 31 4.118 3.668 2.961 241 HB THR 31 HB THR 31 2.243 1.757 1.492 242 HG1 THR 31 HG1 THR 31 3.900 1.040 3.096 243 HG21 THR 31 HG21 THR 31 4.769 3.051 0.398 244 HG22 THR 31 HG22 THR 31 3.130 3.409 -0.150 245 HG23 THR 31 HG23 THR 31 3.821 1.803 -0.403 246 H LYS 32 H LYS 32 0.622 3.604 2.363 247 HA LYS 32 HA LYS 32 0.327 5.654 0.516 248 HB2 LYS 32 HB2 LYS 32 -1.436 4.361 2.570 249 HB3 LYS 32 HB3 LYS 32 -1.997 5.901 1.957 250 HG2 LYS 32 HG2 LYS 32 -1.374 3.480 0.240 251 HG3 LYS 32 HG3 LYS 32 -2.981 3.948 0.791 252 HD2 LYS 32 HD2 LYS 32 -1.170 5.544 -1.056 253 HD3 LYS 32 HD3 LYS 32 -2.647 4.694 -1.508 254 HE2 LYS 32 HE2 LYS 32 -2.452 7.129 0.305 255 HE3 LYS 32 HE3 LYS 32 -3.083 7.090 -1.337 256 HZ1 LYS 32 HZ1 LYS 32 -4.278 5.655 0.968 257 HZ2 LYS 32 HZ2 LYS 32 -4.895 5.720 -0.602 258 HZ3 LYS 32 HZ3 LYS 32 -4.831 7.123 0.338 259 H GLU 33 H GLU 33 0.132 5.853 4.077 260 HA GLU 33 HA GLU 33 -0.283 8.686 4.075 261 HB2 GLU 33 HB2 GLU 33 0.446 6.944 6.456 262 HB3 GLU 33 HB3 GLU 33 -0.288 8.535 6.505 263 HG2 GLU 33 HG2 GLU 33 -1.540 5.907 5.727 264 HG3 GLU 33 HG3 GLU 33 -2.034 7.010 6.994 265 H GLU 34 H GLU 34 2.538 6.615 4.259 266 HA GLU 34 HA GLU 34 4.389 8.397 5.518 267 HB2 GLU 34 HB2 GLU 34 4.782 5.959 5.458 268 HB3 GLU 34 HB3 GLU 34 4.914 5.990 3.702 269 HG2 GLU 34 HG2 GLU 34 6.967 7.316 3.849 270 HG3 GLU 34 HG3 GLU 34 6.808 7.419 5.603 271 H GLU 35 H GLU 35 3.570 7.684 2.166 272 HA GLU 35 HA GLU 35 5.385 9.327 0.796 273 HB2 GLU 35 HB2 GLU 35 2.515 8.560 0.132 274 HB3 GLU 35 HB3 GLU 35 3.597 9.352 -1.008 275 HG2 GLU 35 HG2 GLU 35 4.122 6.660 0.263 276 HG3 GLU 35 HG3 GLU 35 3.397 6.893 -1.324 277 H CYS 36 H CYS 36 2.438 10.070 2.506 278 HA CYS 36 HA CYS 36 2.534 12.927 1.735 279 HB2 CYS 36 HB2 CYS 36 0.415 11.392 1.478 280 HB3 CYS 36 HB3 CYS 36 0.258 11.560 3.223 281 H ARG 37 H ARG 37 4.208 11.340 3.858 282 HA ARG 37 HA ARG 37 3.717 13.150 6.166 283 HB2 ARG 37 HB2 ARG 37 2.872 10.925 6.771 284 HB3 ARG 37 HB3 ARG 37 4.376 10.169 6.271 285 HG2 ARG 37 HG2 ARG 37 4.203 10.289 8.713 286 HG3 ARG 37 HG3 ARG 37 5.564 11.255 8.139 287 HD2 ARG 37 HD2 ARG 37 4.235 12.336 9.968 288 HD3 ARG 37 HD3 ARG 37 4.319 13.306 8.495 289 HE ARG 37 HE ARG 37 2.056 12.579 7.979 290 HH11 ARG 37 HH11 ARG 37 3.026 12.159 11.345 291 HH12 ARG 37 HH12 ARG 37 1.394 12.145 11.932 292 HH21 ARG 37 HH21 ARG 37 -0.055 12.560 8.760 293 HH22 ARG 37 HH22 ARG 37 -0.354 12.376 10.460 294 H LYS 38 H LYS 38 5.405 14.496 6.089 295 HA LYS 38 HA LYS 38 8.087 13.307 6.492 296 HB2 LYS 38 HB2 LYS 38 7.520 15.900 4.973 297 HB3 LYS 38 HB3 LYS 38 9.105 15.408 5.539 298 HG2 LYS 38 HG2 LYS 38 9.172 14.801 3.290 299 HG3 LYS 38 HG3 LYS 38 8.759 13.280 4.080 300 HD2 LYS 38 HD2 LYS 38 7.417 13.598 2.046 301 HD3 LYS 38 HD3 LYS 38 6.373 13.615 3.466 302 HE2 LYS 38 HE2 LYS 38 6.257 16.073 3.366 303 HE3 LYS 38 HE3 LYS 38 7.372 16.085 1.997 304 HZ1 LYS 38 HZ1 LYS 38 5.729 14.850 0.713 305 HZ2 LYS 38 HZ2 LYS 38 5.113 16.323 1.257 306 HZ3 LYS 38 HZ3 LYS 38 4.651 14.888 2.014 Start of MODEL 14 1 H1 GLN 1 H1 GLN 1 -5.029 -8.738 -7.510 2 H2 GLN 1 H2 GLN 1 -4.294 -9.183 -6.059 3 H3 GLN 1 H3 GLN 1 -4.970 -10.369 -7.057 4 HA GLN 1 HA GLN 1 -2.577 -10.362 -7.212 5 HB2 GLN 1 HB2 GLN 1 -4.138 -10.826 -9.234 6 HB3 GLN 1 HB3 GLN 1 -3.741 -9.214 -9.801 7 HG2 GLN 1 HG2 GLN 1 -1.720 -11.440 -9.361 8 HG3 GLN 1 HG3 GLN 1 -2.450 -11.045 -10.912 9 HE21 GLN 1 HE21 GLN 1 -1.852 -9.067 -11.916 10 HE22 GLN 1 HE22 GLN 1 -0.376 -8.261 -11.521 11 H CYS 2 H CYS 2 -1.288 -8.970 -6.159 12 HA CYS 2 HA CYS 2 -0.245 -7.170 -5.383 13 HB2 CYS 2 HB2 CYS 2 -0.091 -6.646 -8.364 14 HB3 CYS 2 HB3 CYS 2 0.728 -5.628 -7.183 15 H TYR 3 H TYR 3 -1.715 -6.223 -4.108 16 HA TYR 3 HA TYR 3 -4.054 -4.906 -4.779 17 HB2 TYR 3 HB2 TYR 3 -3.482 -5.762 -2.509 18 HB3 TYR 3 HB3 TYR 3 -2.339 -4.444 -2.315 19 HD1 TYR 3 HD2 TYR 3 -5.943 -4.853 -3.315 20 HD2 TYR 3 HD1 TYR 3 -3.118 -2.619 -0.982 21 HE1 TYR 3 HE2 TYR 3 -7.758 -3.475 -2.436 22 HE2 TYR 3 HE1 TYR 3 -4.960 -1.251 -0.108 23 HH TYR 3 HH TYR 3 -7.229 -0.594 -0.726 24 H THR 4 H THR 4 -4.454 -2.975 -5.652 25 HA THR 4 HA THR 4 -2.258 -1.099 -6.103 26 HB THR 4 HB THR 4 -5.044 -1.057 -7.368 27 HG1 THR 4 HG1 THR 4 -3.084 -2.850 -7.673 28 HG21 THR 4 HG21 THR 4 -3.738 1.068 -7.574 29 HG22 THR 4 HG22 THR 4 -3.913 0.265 -9.134 30 HG23 THR 4 HG23 THR 4 -2.385 0.160 -8.260 31 H PHE 5 H PHE 5 -2.099 0.720 -4.996 32 HA PHE 5 HA PHE 5 -4.379 2.303 -4.150 33 HB2 PHE 5 HB2 PHE 5 -3.280 2.639 -1.830 34 HB3 PHE 5 HB3 PHE 5 -4.092 1.104 -2.082 35 HD1 PHE 5 HD2 PHE 5 -2.703 -0.948 -2.612 36 HD2 PHE 5 HD1 PHE 5 -0.924 2.669 -1.221 37 HE1 PHE 5 HE2 PHE 5 -0.710 -2.193 -1.969 38 HE2 PHE 5 HE1 PHE 5 1.089 1.413 -0.570 39 HZ PHE 5 HZ PHE 5 1.191 -1.026 -0.938 40 H ARG 6 H ARG 6 -3.858 4.508 -4.288 41 HA ARG 6 HA ARG 6 -1.090 5.120 -5.211 42 HB2 ARG 6 HB2 ARG 6 -2.610 5.059 -7.139 43 HB3 ARG 6 HB3 ARG 6 -3.740 6.148 -6.332 44 HG2 ARG 6 HG2 ARG 6 -2.041 7.951 -6.376 45 HG3 ARG 6 HG3 ARG 6 -0.907 6.866 -7.183 46 HD2 ARG 6 HD2 ARG 6 -2.314 6.773 -9.160 47 HD3 ARG 6 HD3 ARG 6 -3.602 7.660 -8.343 48 HE ARG 6 HE ARG 6 -1.077 8.740 -9.376 49 HH11 ARG 6 HH11 ARG 6 -4.123 9.371 -7.748 50 HH12 ARG 6 HH12 ARG 6 -4.032 11.085 -8.002 51 HH21 ARG 6 HH21 ARG 6 -0.990 10.969 -9.697 52 HH22 ARG 6 HH22 ARG 6 -2.265 11.982 -9.101 53 H SER 7 H SER 7 -0.142 6.465 -3.812 54 HA SER 7 HA SER 7 -1.650 8.290 -2.129 55 HB2 SER 7 HB2 SER 7 0.437 7.211 -1.296 56 HB3 SER 7 HB3 SER 7 1.365 8.059 -2.536 57 HG SER 7 HG SER 7 0.411 8.970 -0.139 58 H GLU 8 H GLU 8 -2.647 9.741 -3.335 59 HA GLU 8 HA GLU 8 -1.778 11.167 -5.589 60 HB2 GLU 8 HB2 GLU 8 -3.624 12.685 -5.167 61 HB3 GLU 8 HB3 GLU 8 -4.156 11.064 -4.761 62 HG2 GLU 8 HG2 GLU 8 -3.300 13.167 -2.752 63 HG3 GLU 8 HG3 GLU 8 -4.965 12.822 -3.182 64 H CYS 9 H CYS 9 -1.055 11.558 -2.207 65 HA CYS 9 HA CYS 9 -0.054 14.096 -1.926 66 HB2 CYS 9 HB2 CYS 9 1.095 11.519 -0.781 67 HB3 CYS 9 HB3 CYS 9 1.437 13.136 -0.167 68 H THR 10 H THR 10 1.510 11.322 -3.491 69 HA THR 10 HA THR 10 3.861 12.977 -4.222 70 HB THR 10 HB THR 10 4.419 11.163 -2.578 71 HG1 THR 10 HG1 THR 10 5.981 11.813 -4.162 72 HG21 THR 10 HG21 THR 10 3.546 9.269 -4.792 73 HG22 THR 10 HG22 THR 10 2.731 9.488 -3.240 74 HG23 THR 10 HG23 THR 10 4.358 8.806 -3.298 75 H ASN 11 H ASN 11 1.117 11.414 -5.323 76 HA ASN 11 HA ASN 11 0.180 11.104 -7.339 77 HB2 ASN 11 HB2 ASN 11 1.245 13.024 -8.277 78 HB3 ASN 11 HB3 ASN 11 2.812 12.235 -8.300 79 HD21 ASN 11 HD21 ASN 11 3.334 10.897 -10.065 80 HD22 ASN 11 HD22 ASN 11 2.383 10.826 -11.504 81 H LYS 12 H LYS 12 2.950 9.387 -6.318 82 HA LYS 12 HA LYS 12 3.124 7.418 -8.369 83 HB2 LYS 12 HB2 LYS 12 4.245 7.612 -5.564 84 HB3 LYS 12 HB3 LYS 12 4.303 6.064 -6.395 85 HG2 LYS 12 HG2 LYS 12 6.416 7.186 -6.664 86 HG3 LYS 12 HG3 LYS 12 5.602 7.106 -8.226 87 HD2 LYS 12 HD2 LYS 12 4.951 9.461 -8.047 88 HD3 LYS 12 HD3 LYS 12 5.646 9.561 -6.426 89 HE2 LYS 12 HE2 LYS 12 7.221 8.985 -8.963 90 HE3 LYS 12 HE3 LYS 12 7.115 10.555 -8.165 91 HZ1 LYS 12 HZ1 LYS 12 8.223 8.090 -6.949 92 HZ2 LYS 12 HZ2 LYS 12 8.157 9.611 -6.220 93 HZ3 LYS 12 HZ3 LYS 12 9.129 9.370 -7.581 94 H GLU 13 H GLU 13 1.996 5.580 -8.648 95 HA GLU 13 HA GLU 13 0.048 4.664 -6.665 96 HB2 GLU 13 HB2 GLU 13 -0.653 3.027 -8.432 97 HB3 GLU 13 HB3 GLU 13 -0.801 4.707 -8.915 98 HG2 GLU 13 HG2 GLU 13 -0.002 3.553 -10.818 99 HG3 GLU 13 HG3 GLU 13 1.371 4.448 -10.180 100 H PHE 14 H PHE 14 0.070 2.449 -5.959 101 HA PHE 14 HA PHE 14 2.715 1.138 -5.914 102 HB2 PHE 14 HB2 PHE 14 0.971 1.597 -3.443 103 HB3 PHE 14 HB3 PHE 14 2.562 0.838 -3.489 104 HD1 PHE 14 HD2 PHE 14 4.568 2.306 -4.236 105 HD2 PHE 14 HD1 PHE 14 0.776 3.940 -3.094 106 HE1 PHE 14 HE2 PHE 14 5.613 4.495 -3.842 107 HE2 PHE 14 HE1 PHE 14 1.842 6.117 -2.721 108 HZ PHE 14 HZ PHE 14 4.252 6.400 -3.085 109 H THR 15 H THR 15 2.551 -1.003 -6.135 110 HA THR 15 HA THR 15 -0.016 -2.370 -5.588 111 HB THR 15 HB THR 15 0.714 -4.010 -7.425 112 HG1 THR 15 HG1 THR 15 2.310 -1.872 -8.361 113 HG21 THR 15 HG21 THR 15 -1.118 -2.409 -7.838 114 HG22 THR 15 HG22 THR 15 -0.154 -2.663 -9.292 115 HG23 THR 15 HG23 THR 15 0.063 -1.191 -8.347 116 H VAL 16 H VAL 16 0.180 -4.008 -4.090 117 HA VAL 16 HA VAL 16 2.895 -5.076 -3.569 118 HB VAL 16 HB VAL 16 2.254 -3.341 -1.863 119 HG11 VAL 16 HG11 VAL 16 0.170 -5.321 -0.890 120 HG12 VAL 16 HG12 VAL 16 -0.164 -3.773 -1.664 121 HG13 VAL 16 HG13 VAL 16 0.636 -3.814 -0.092 122 HG21 VAL 16 HG21 VAL 16 3.050 -4.618 0.070 123 HG22 VAL 16 HG22 VAL 16 3.928 -5.078 -1.388 124 HG23 VAL 16 HG23 VAL 16 2.666 -6.133 -0.751 125 H CYS 17 H CYS 17 2.974 -7.177 -3.836 126 HA CYS 17 HA CYS 17 0.575 -8.870 -3.601 127 HB2 CYS 17 HB2 CYS 17 3.161 -9.089 -5.129 128 HB3 CYS 17 HB3 CYS 17 2.351 -10.583 -4.665 129 H ARG 18 H ARG 18 0.357 -9.307 -1.461 130 HA ARG 18 HA ARG 18 2.410 -11.088 -0.254 131 HB2 ARG 18 HB2 ARG 18 0.630 -9.004 1.014 132 HB3 ARG 18 HB3 ARG 18 0.851 -10.491 1.922 133 HG2 ARG 18 HG2 ARG 18 2.381 -8.765 2.680 134 HG3 ARG 18 HG3 ARG 18 3.272 -10.122 1.995 135 HD2 ARG 18 HD2 ARG 18 3.714 -8.855 -0.026 136 HD3 ARG 18 HD3 ARG 18 2.684 -7.533 0.530 137 HE ARG 18 HE ARG 18 4.468 -7.676 2.502 138 HH11 ARG 18 HH11 ARG 18 4.978 -7.563 -0.976 139 HH12 ARG 18 HH12 ARG 18 6.511 -6.764 -0.833 140 HH21 ARG 18 HH21 ARG 18 6.448 -6.624 2.662 141 HH22 ARG 18 HH22 ARG 18 7.340 -6.234 1.223 142 HA PRO 19 HA PRO 19 -0.742 -14.259 -0.658 143 HB2 PRO 19 HB2 PRO 19 -0.139 -15.966 1.431 144 HB3 PRO 19 HB3 PRO 19 0.828 -15.852 -0.052 145 HG2 PRO 19 HG2 PRO 19 1.342 -14.598 2.622 146 HG3 PRO 19 HG3 PRO 19 2.483 -15.392 1.512 147 HD2 PRO 19 HD2 PRO 19 2.261 -12.682 1.683 148 HD3 PRO 19 HD3 PRO 19 2.699 -13.505 0.168 149 H ASN 20 H ASN 20 -0.337 -12.824 2.578 150 HA ASN 20 HA ASN 20 -3.153 -13.404 3.267 151 HB2 ASN 20 HB2 ASN 20 -0.964 -12.211 5.018 152 HB3 ASN 20 HB3 ASN 20 -2.584 -12.640 5.543 153 HD21 ASN 20 HD21 ASN 20 0.132 -13.615 6.352 154 HD22 ASN 20 HD22 ASN 20 0.018 -15.331 6.227 155 HA PRO 21 HA PRO 21 -4.451 -9.065 2.306 156 HB2 PRO 21 HB2 PRO 21 -6.542 -9.905 4.340 157 HB3 PRO 21 HB3 PRO 21 -6.754 -9.104 2.764 158 HG2 PRO 21 HG2 PRO 21 -7.304 -11.687 3.036 159 HG3 PRO 21 HG3 PRO 21 -6.515 -11.081 1.561 160 HD2 PRO 21 HD2 PRO 21 -5.304 -12.594 3.867 161 HD3 PRO 21 HD3 PRO 21 -4.931 -12.688 2.132 162 H GLU 22 H GLU 22 -4.114 -10.556 5.471 163 HA GLU 22 HA GLU 22 -4.165 -8.410 7.231 164 HB2 GLU 22 HB2 GLU 22 -3.786 -11.127 7.433 165 HB3 GLU 22 HB3 GLU 22 -2.147 -10.605 7.750 166 HG2 GLU 22 HG2 GLU 22 -4.571 -9.643 9.293 167 HG3 GLU 22 HG3 GLU 22 -3.603 -11.027 9.766 168 H GLU 23 H GLU 23 -1.425 -9.824 5.490 169 HA GLU 23 HA GLU 23 0.596 -8.041 6.448 170 HB2 GLU 23 HB2 GLU 23 0.619 -9.954 4.073 171 HB3 GLU 23 HB3 GLU 23 2.035 -9.192 4.790 172 HG2 GLU 23 HG2 GLU 23 1.668 -10.426 6.878 173 HG3 GLU 23 HG3 GLU 23 0.217 -11.171 6.198 174 H VAL 24 H VAL 24 -1.415 -8.241 3.534 175 HA VAL 24 HA VAL 24 -0.213 -6.254 1.940 176 HB VAL 24 HB VAL 24 -3.142 -7.143 2.082 177 HG11 VAL 24 HG11 VAL 24 -1.812 -5.393 -0.024 178 HG12 VAL 24 HG12 VAL 24 -3.057 -4.878 1.116 179 HG13 VAL 24 HG13 VAL 24 -3.440 -6.060 -0.134 180 HG21 VAL 24 HG21 VAL 24 -2.618 -8.395 0.023 181 HG22 VAL 24 HG22 VAL 24 -1.572 -8.899 1.353 182 HG23 VAL 24 HG23 VAL 24 -0.944 -7.829 0.100 183 H GLU 25 H GLU 25 -2.795 -6.025 4.398 184 HA GLU 25 HA GLU 25 -3.497 -3.325 4.072 185 HB2 GLU 25 HB2 GLU 25 -3.680 -5.135 6.513 186 HB3 GLU 25 HB3 GLU 25 -4.359 -3.508 6.467 187 HG2 GLU 25 HG2 GLU 25 -5.847 -4.151 4.630 188 HG3 GLU 25 HG3 GLU 25 -5.142 -5.769 4.614 189 H LYS 26 H LYS 26 -1.043 -4.842 6.125 190 HA LYS 26 HA LYS 26 -0.150 -2.632 7.612 191 HB2 LYS 26 HB2 LYS 26 1.596 -4.905 6.558 192 HB3 LYS 26 HB3 LYS 26 1.943 -3.877 7.949 193 HG2 LYS 26 HG2 LYS 26 0.048 -4.858 9.167 194 HG3 LYS 26 HG3 LYS 26 -0.353 -5.843 7.754 195 HD2 LYS 26 HD2 LYS 26 1.937 -6.913 7.923 196 HD3 LYS 26 HD3 LYS 26 2.187 -6.029 9.433 197 HE2 LYS 26 HE2 LYS 26 0.033 -8.095 8.893 198 HE3 LYS 26 HE3 LYS 26 1.481 -8.323 9.871 199 HZ1 LYS 26 HZ1 LYS 26 0.653 -6.624 11.389 200 HZ2 LYS 26 HZ2 LYS 26 -0.434 -7.919 11.249 201 HZ3 LYS 26 HZ3 LYS 26 -0.743 -6.457 10.459 202 H GLU 27 H GLU 27 1.034 -3.950 4.542 203 HA GLU 27 HA GLU 27 2.950 -1.975 3.926 204 HB2 GLU 27 HB2 GLU 27 1.408 -3.924 2.157 205 HB3 GLU 27 HB3 GLU 27 2.763 -2.951 1.592 206 HG2 GLU 27 HG2 GLU 27 2.927 -4.985 3.829 207 HG3 GLU 27 HG3 GLU 27 3.356 -5.319 2.152 208 H ALA 28 H ALA 28 -0.497 -2.221 3.296 209 HA ALA 28 HA ALA 28 -0.573 -0.408 1.106 210 HB1 ALA 28 HB1 ALA 28 -3.003 -0.675 1.231 211 HB2 ALA 28 HB2 ALA 28 -2.857 -1.456 2.812 212 HB3 ALA 28 HB3 ALA 28 -2.199 -2.237 1.371 213 H ARG 29 H ARG 29 -1.665 -0.131 4.486 214 HA ARG 29 HA ARG 29 -2.624 2.536 4.186 215 HB2 ARG 29 HB2 ARG 29 -3.018 2.472 6.607 216 HB3 ARG 29 HB3 ARG 29 -3.576 0.994 5.831 217 HG2 ARG 29 HG2 ARG 29 -1.298 -0.031 6.573 218 HG3 ARG 29 HG3 ARG 29 -1.168 1.372 7.632 219 HD2 ARG 29 HD2 ARG 29 -3.194 0.740 8.811 220 HD3 ARG 29 HD3 ARG 29 -3.505 -0.568 7.658 221 HE ARG 29 HE ARG 29 -1.073 -0.547 9.334 222 HH11 ARG 29 HH11 ARG 29 -4.012 -2.158 8.328 223 HH12 ARG 29 HH12 ARG 29 -3.640 -3.633 9.158 224 HH21 ARG 29 HH21 ARG 29 -0.561 -2.469 10.406 225 HH22 ARG 29 HH22 ARG 29 -1.666 -3.806 10.345 226 H ARG 30 H ARG 30 0.372 1.144 5.482 227 HA ARG 30 HA ARG 30 1.426 3.544 6.577 228 HB2 ARG 30 HB2 ARG 30 2.830 0.982 5.723 229 HB3 ARG 30 HB3 ARG 30 3.629 2.296 6.576 230 HG2 ARG 30 HG2 ARG 30 1.258 0.763 7.691 231 HG3 ARG 30 HG3 ARG 30 2.939 0.336 8.003 232 HD2 ARG 30 HD2 ARG 30 2.157 1.566 9.894 233 HD3 ARG 30 HD3 ARG 30 3.248 2.634 9.011 234 HE ARG 30 HE ARG 30 0.517 3.041 8.247 235 HH11 ARG 30 HH11 ARG 30 2.817 3.818 10.815 236 HH12 ARG 30 HH12 ARG 30 1.973 5.257 11.286 237 HH21 ARG 30 HH21 ARG 30 -0.566 4.946 8.903 238 HH22 ARG 30 HH22 ARG 30 0.074 5.890 10.214 239 H THR 31 H THR 31 2.116 1.794 3.499 240 HA THR 31 HA THR 31 4.042 3.555 2.483 241 HB THR 31 HB THR 31 2.092 1.805 0.923 242 HG1 THR 31 HG1 THR 31 3.491 0.246 1.311 243 HG21 THR 31 HG21 THR 31 3.127 3.504 -0.584 244 HG22 THR 31 HG22 THR 31 3.715 1.877 -0.930 245 HG23 THR 31 HG23 THR 31 4.726 3.006 -0.025 246 H LYS 32 H LYS 32 0.522 3.746 2.286 247 HA LYS 32 HA LYS 32 0.238 5.912 0.488 248 HB2 LYS 32 HB2 LYS 32 -1.499 4.842 2.749 249 HB3 LYS 32 HB3 LYS 32 -1.996 6.248 1.820 250 HG2 LYS 32 HG2 LYS 32 -1.430 3.512 0.615 251 HG3 LYS 32 HG3 LYS 32 -3.034 4.106 1.047 252 HD2 LYS 32 HD2 LYS 32 -1.168 5.323 -1.035 253 HD3 LYS 32 HD3 LYS 32 -2.635 4.393 -1.360 254 HE2 LYS 32 HE2 LYS 32 -2.504 7.104 0.014 255 HE3 LYS 32 HE3 LYS 32 -3.056 6.791 -1.625 256 HZ1 LYS 32 HZ1 LYS 32 -4.922 7.054 -0.224 257 HZ2 LYS 32 HZ2 LYS 32 -4.344 5.914 0.880 258 HZ3 LYS 32 HZ3 LYS 32 -4.832 5.422 -0.658 259 H GLU 33 H GLU 33 0.340 5.856 4.043 260 HA GLU 33 HA GLU 33 0.005 8.694 4.368 261 HB2 GLU 33 HB2 GLU 33 0.695 6.485 6.351 262 HB3 GLU 33 HB3 GLU 33 0.322 8.147 6.810 263 HG2 GLU 33 HG2 GLU 33 -1.950 7.940 5.951 264 HG3 GLU 33 HG3 GLU 33 -1.595 6.343 5.293 265 H GLU 34 H GLU 34 2.757 6.566 4.151 266 HA GLU 34 HA GLU 34 4.751 8.152 5.376 267 HB2 GLU 34 HB2 GLU 34 4.896 5.950 3.295 268 HB3 GLU 34 HB3 GLU 34 6.344 6.763 3.881 269 HG2 GLU 34 HG2 GLU 34 5.884 6.011 6.169 270 HG3 GLU 34 HG3 GLU 34 4.385 5.248 5.633 271 H GLU 35 H GLU 35 3.481 8.052 2.107 272 HA GLU 35 HA GLU 35 5.392 9.878 0.974 273 HB2 GLU 35 HB2 GLU 35 2.639 9.087 -0.042 274 HB3 GLU 35 HB3 GLU 35 3.935 9.812 -0.985 275 HG2 GLU 35 HG2 GLU 35 4.019 7.069 0.298 276 HG3 GLU 35 HG3 GLU 35 3.694 7.389 -1.400 277 H CYS 36 H CYS 36 2.561 10.271 2.886 278 HA CYS 36 HA CYS 36 2.179 13.084 2.120 279 HB2 CYS 36 HB2 CYS 36 0.546 11.450 4.098 280 HB3 CYS 36 HB3 CYS 36 0.086 12.947 3.284 281 H ARG 37 H ARG 37 3.840 11.207 4.484 282 HA ARG 37 HA ARG 37 3.670 13.239 6.602 283 HB2 ARG 37 HB2 ARG 37 4.573 11.634 8.114 284 HB3 ARG 37 HB3 ARG 37 3.427 10.763 7.119 285 HG2 ARG 37 HG2 ARG 37 5.113 9.205 7.160 286 HG3 ARG 37 HG3 ARG 37 5.609 10.116 5.744 287 HD2 ARG 37 HD2 ARG 37 7.258 11.354 7.125 288 HD3 ARG 37 HD3 ARG 37 6.740 10.447 8.546 289 HE ARG 37 HE ARG 37 7.508 8.557 6.684 290 HH11 ARG 37 HH11 ARG 37 9.109 11.217 8.354 291 HH12 ARG 37 HH12 ARG 37 10.665 10.450 8.313 292 HH21 ARG 37 HH21 ARG 37 9.544 7.567 6.696 293 HH22 ARG 37 HH22 ARG 37 10.906 8.398 7.384 294 H LYS 38 H LYS 38 5.715 12.456 3.992 295 HA LYS 38 HA LYS 38 8.268 12.754 5.065 296 HB2 LYS 38 HB2 LYS 38 9.081 12.968 2.756 297 HB3 LYS 38 HB3 LYS 38 7.864 11.713 2.892 298 HG2 LYS 38 HG2 LYS 38 7.225 12.707 0.900 299 HG3 LYS 38 HG3 LYS 38 6.211 13.591 2.043 300 HD2 LYS 38 HD2 LYS 38 8.025 15.391 2.090 301 HD3 LYS 38 HD3 LYS 38 8.803 14.540 0.755 302 HE2 LYS 38 HE2 LYS 38 6.867 14.918 -0.664 303 HE3 LYS 38 HE3 LYS 38 5.966 15.609 0.685 304 HZ1 LYS 38 HZ1 LYS 38 8.420 16.771 -0.519 305 HZ2 LYS 38 HZ2 LYS 38 7.533 17.443 0.752 306 HZ3 LYS 38 HZ3 LYS 38 6.842 17.310 -0.784 Start of MODEL 15 1 H1 GLN 1 H1 GLN 1 -5.105 -11.727 -6.323 2 H2 GLN 1 H2 GLN 1 -6.673 -11.456 -6.887 3 H3 GLN 1 H3 GLN 1 -6.209 -10.895 -5.363 4 HA GLN 1 HA GLN 1 -5.045 -9.986 -7.915 5 HB2 GLN 1 HB2 GLN 1 -7.037 -8.589 -6.075 6 HB3 GLN 1 HB3 GLN 1 -6.258 -7.843 -7.470 7 HG2 GLN 1 HG2 GLN 1 -7.362 -9.494 -8.953 8 HG3 GLN 1 HG3 GLN 1 -8.168 -10.199 -7.553 9 HE21 GLN 1 HE21 GLN 1 -9.849 -9.022 -6.544 10 HE22 GLN 1 HE22 GLN 1 -10.646 -7.709 -7.334 11 H CYS 2 H CYS 2 -3.521 -8.282 -7.694 12 HA CYS 2 HA CYS 2 -2.193 -8.022 -5.080 13 HB2 CYS 2 HB2 CYS 2 -1.318 -7.094 -7.855 14 HB3 CYS 2 HB3 CYS 2 -0.340 -7.033 -6.388 15 H TYR 3 H TYR 3 -2.341 -6.177 -3.908 16 HA TYR 3 HA TYR 3 -4.454 -4.340 -4.475 17 HB2 TYR 3 HB2 TYR 3 -3.475 -5.279 -2.153 18 HB3 TYR 3 HB3 TYR 3 -2.456 -3.858 -2.240 19 HD1 TYR 3 HD2 TYR 3 -6.031 -4.947 -2.307 20 HD2 TYR 3 HD1 TYR 3 -3.330 -1.736 -1.427 21 HE1 TYR 3 HE2 TYR 3 -7.876 -3.648 -1.360 22 HE2 TYR 3 HE1 TYR 3 -5.200 -0.450 -0.488 23 HH TYR 3 HH TYR 3 -7.690 -0.372 -0.768 24 H THR 4 H THR 4 -4.096 -2.950 -6.131 25 HA THR 4 HA THR 4 -1.633 -1.332 -6.241 26 HB THR 4 HB THR 4 -3.861 -1.513 -8.321 27 HG1 THR 4 HG1 THR 4 -2.620 -3.513 -7.795 28 HG21 THR 4 HG21 THR 4 -0.982 -0.522 -8.546 29 HG22 THR 4 HG22 THR 4 -2.413 0.505 -8.502 30 HG23 THR 4 HG23 THR 4 -2.164 -0.589 -9.860 31 H PHE 5 H PHE 5 -1.705 0.639 -5.357 32 HA PHE 5 HA PHE 5 -4.176 2.217 -5.203 33 HB2 PHE 5 HB2 PHE 5 -3.588 2.762 -2.769 34 HB3 PHE 5 HB3 PHE 5 -4.192 1.135 -3.047 35 HD1 PHE 5 HD2 PHE 5 -2.547 -0.782 -3.141 36 HD2 PHE 5 HD1 PHE 5 -1.389 3.084 -1.737 37 HE1 PHE 5 HE2 PHE 5 -0.598 -1.764 -2.046 38 HE2 PHE 5 HE1 PHE 5 0.574 2.079 -0.635 39 HZ PHE 5 HZ PHE 5 0.961 -0.357 -0.783 40 H ARG 6 H ARG 6 -3.851 4.380 -5.376 41 HA ARG 6 HA ARG 6 -1.088 5.324 -5.889 42 HB2 ARG 6 HB2 ARG 6 -2.395 5.529 -7.875 43 HB3 ARG 6 HB3 ARG 6 -3.791 6.145 -7.009 44 HG2 ARG 6 HG2 ARG 6 -1.342 7.857 -6.878 45 HG3 ARG 6 HG3 ARG 6 -2.081 7.704 -8.459 46 HD2 ARG 6 HD2 ARG 6 -4.263 8.452 -7.481 47 HD3 ARG 6 HD3 ARG 6 -3.442 8.688 -5.935 48 HE ARG 6 HE ARG 6 -2.181 10.153 -8.037 49 HH11 ARG 6 HH11 ARG 6 -4.974 10.230 -5.875 50 HH12 ARG 6 HH12 ARG 6 -5.114 11.957 -5.945 51 HH21 ARG 6 HH21 ARG 6 -2.380 12.395 -8.093 52 HH22 ARG 6 HH22 ARG 6 -3.641 13.188 -7.203 53 H SER 7 H SER 7 -0.242 6.796 -4.522 54 HA SER 7 HA SER 7 -1.955 8.028 -2.496 55 HB2 SER 7 HB2 SER 7 0.134 7.021 -1.687 56 HB3 SER 7 HB3 SER 7 1.081 8.018 -2.787 57 HG SER 7 HG SER 7 0.344 8.591 -0.320 58 H GLU 8 H GLU 8 -2.323 10.179 -2.348 59 HA GLU 8 HA GLU 8 -2.291 11.746 -4.734 60 HB2 GLU 8 HB2 GLU 8 -4.005 11.686 -2.726 61 HB3 GLU 8 HB3 GLU 8 -2.927 12.837 -1.962 62 HG2 GLU 8 HG2 GLU 8 -4.359 13.241 -4.612 63 HG3 GLU 8 HG3 GLU 8 -4.878 13.892 -3.063 64 H CYS 9 H CYS 9 -0.322 11.593 -1.834 65 HA CYS 9 HA CYS 9 0.977 14.160 -2.150 66 HB2 CYS 9 HB2 CYS 9 1.748 11.880 -0.302 67 HB3 CYS 9 HB3 CYS 9 2.127 13.586 -0.102 68 H THR 10 H THR 10 1.359 12.256 -4.382 69 HA THR 10 HA THR 10 4.106 12.465 -4.941 70 HB THR 10 HB THR 10 4.360 10.618 -3.330 71 HG1 THR 10 HG1 THR 10 5.442 9.166 -4.709 72 HG21 THR 10 HG21 THR 10 3.404 8.386 -3.735 73 HG22 THR 10 HG22 THR 10 2.525 9.007 -5.131 74 HG23 THR 10 HG23 THR 10 2.118 9.577 -3.510 75 H ASN 11 H ASN 11 0.978 11.130 -5.544 76 HA ASN 11 HA ASN 11 -0.341 10.858 -7.329 77 HB2 ASN 11 HB2 ASN 11 0.803 12.931 -8.257 78 HB3 ASN 11 HB3 ASN 11 1.900 11.871 -9.128 79 HD21 ASN 11 HD21 ASN 11 1.223 12.599 -11.131 80 HD22 ASN 11 HD22 ASN 11 -0.326 12.232 -11.801 81 H LYS 12 H LYS 12 2.400 9.180 -6.762 82 HA LYS 12 HA LYS 12 2.429 7.422 -9.055 83 HB2 LYS 12 HB2 LYS 12 4.068 7.474 -6.482 84 HB3 LYS 12 HB3 LYS 12 4.277 6.271 -7.756 85 HG2 LYS 12 HG2 LYS 12 4.745 8.163 -9.360 86 HG3 LYS 12 HG3 LYS 12 4.739 9.259 -7.972 87 HD2 LYS 12 HD2 LYS 12 6.643 8.085 -6.991 88 HD3 LYS 12 HD3 LYS 12 6.596 6.871 -8.273 89 HE2 LYS 12 HE2 LYS 12 7.141 8.627 -9.945 90 HE3 LYS 12 HE3 LYS 12 7.217 9.826 -8.648 91 HZ1 LYS 12 HZ1 LYS 12 9.060 8.594 -7.666 92 HZ2 LYS 12 HZ2 LYS 12 9.415 9.017 -9.267 93 HZ3 LYS 12 HZ3 LYS 12 8.965 7.429 -8.895 94 H GLU 13 H GLU 13 1.840 5.305 -9.057 95 HA GLU 13 HA GLU 13 0.065 4.372 -6.919 96 HB2 GLU 13 HB2 GLU 13 -0.597 2.599 -8.644 97 HB3 GLU 13 HB3 GLU 13 -1.062 4.252 -8.997 98 HG2 GLU 13 HG2 GLU 13 -0.359 3.273 -11.047 99 HG3 GLU 13 HG3 GLU 13 0.904 4.400 -10.561 100 H PHE 14 H PHE 14 0.226 2.207 -6.174 101 HA PHE 14 HA PHE 14 2.950 1.068 -6.113 102 HB2 PHE 14 HB2 PHE 14 1.196 1.485 -3.638 103 HB3 PHE 14 HB3 PHE 14 2.849 0.868 -3.682 104 HD1 PHE 14 HD2 PHE 14 4.712 2.439 -4.447 105 HD2 PHE 14 HD1 PHE 14 0.789 3.834 -3.465 106 HE1 PHE 14 HE2 PHE 14 5.574 4.728 -4.225 107 HE2 PHE 14 HE1 PHE 14 1.668 6.119 -3.263 108 HZ PHE 14 HZ PHE 14 4.054 6.569 -3.636 109 H THR 15 H THR 15 2.828 -1.024 -6.575 110 HA THR 15 HA THR 15 0.299 -2.514 -6.150 111 HB THR 15 HB THR 15 2.693 -3.325 -7.865 112 HG1 THR 15 HG1 THR 15 1.433 -1.325 -8.469 113 HG21 THR 15 HG21 THR 15 1.200 -5.200 -7.203 114 HG22 THR 15 HG22 THR 15 1.091 -4.873 -8.935 115 HG23 THR 15 HG23 THR 15 -0.188 -4.332 -7.844 116 H VAL 16 H VAL 16 0.347 -3.615 -4.278 117 HA VAL 16 HA VAL 16 2.816 -5.052 -3.514 118 HB VAL 16 HB VAL 16 2.158 -3.196 -1.924 119 HG11 VAL 16 HG11 VAL 16 0.295 -3.544 -0.340 120 HG12 VAL 16 HG12 VAL 16 -0.209 -4.976 -1.240 121 HG13 VAL 16 HG13 VAL 16 -0.285 -3.386 -2.000 122 HG21 VAL 16 HG21 VAL 16 2.609 -4.525 0.101 123 HG22 VAL 16 HG22 VAL 16 3.602 -5.080 -1.245 124 HG23 VAL 16 HG23 VAL 16 2.179 -6.005 -0.757 125 H CYS 17 H CYS 17 2.563 -7.195 -2.908 126 HA CYS 17 HA CYS 17 -0.068 -8.465 -3.112 127 HB2 CYS 17 HB2 CYS 17 1.357 -8.244 -5.420 128 HB3 CYS 17 HB3 CYS 17 2.094 -9.712 -4.792 129 H ARG 18 H ARG 18 0.168 -8.960 -0.957 130 HA ARG 18 HA ARG 18 2.493 -10.540 -0.059 131 HB2 ARG 18 HB2 ARG 18 0.153 -9.421 1.538 132 HB3 ARG 18 HB3 ARG 18 1.560 -10.230 2.213 133 HG2 ARG 18 HG2 ARG 18 1.645 -7.602 0.699 134 HG3 ARG 18 HG3 ARG 18 1.597 -7.752 2.453 135 HD2 ARG 18 HD2 ARG 18 3.874 -7.363 1.903 136 HD3 ARG 18 HD3 ARG 18 3.769 -9.081 2.280 137 HE ARG 18 HE ARG 18 3.841 -9.525 -0.136 138 HH11 ARG 18 HH11 ARG 18 4.993 -6.368 0.926 139 HH12 ARG 18 HH12 ARG 18 5.961 -6.130 -0.495 140 HH21 ARG 18 HH21 ARG 18 5.094 -9.169 -1.984 141 HH22 ARG 18 HH22 ARG 18 6.020 -7.705 -2.134 142 HA PRO 19 HA PRO 19 0.457 -14.494 -0.452 143 HB2 PRO 19 HB2 PRO 19 1.178 -15.792 1.908 144 HB3 PRO 19 HB3 PRO 19 2.256 -15.572 0.517 145 HG2 PRO 19 HG2 PRO 19 2.076 -13.939 3.031 146 HG3 PRO 19 HG3 PRO 19 3.519 -14.540 2.180 147 HD2 PRO 19 HD2 PRO 19 2.743 -11.996 1.898 148 HD3 PRO 19 HD3 PRO 19 3.379 -12.903 0.506 149 H ASN 20 H ASN 20 -0.271 -12.532 2.296 150 HA ASN 20 HA ASN 20 -3.013 -13.564 2.371 151 HB2 ASN 20 HB2 ASN 20 -3.045 -13.626 4.830 152 HB3 ASN 20 HB3 ASN 20 -1.806 -14.709 4.219 153 HD21 ASN 20 HD21 ASN 20 -2.449 -11.944 6.125 154 HD22 ASN 20 HD22 ASN 20 -0.828 -11.659 6.663 155 HA PRO 21 HA PRO 21 -4.105 -9.257 2.085 156 HB2 PRO 21 HB2 PRO 21 -6.503 -9.858 3.804 157 HB3 PRO 21 HB3 PRO 21 -6.425 -9.236 2.141 158 HG2 PRO 21 HG2 PRO 21 -7.187 -11.731 2.601 159 HG3 PRO 21 HG3 PRO 21 -6.154 -11.343 1.204 160 HD2 PRO 21 HD2 PRO 21 -5.365 -12.538 3.863 161 HD3 PRO 21 HD3 PRO 21 -4.862 -13.005 2.219 162 H GLU 22 H GLU 22 -3.846 -10.726 5.227 163 HA GLU 22 HA GLU 22 -4.339 -8.461 6.869 164 HB2 GLU 22 HB2 GLU 22 -2.815 -11.022 7.496 165 HB3 GLU 22 HB3 GLU 22 -3.199 -9.796 8.698 166 HG2 GLU 22 HG2 GLU 22 -4.784 -11.581 8.907 167 HG3 GLU 22 HG3 GLU 22 -5.620 -10.171 8.258 168 H GLU 23 H GLU 23 -1.365 -9.713 5.344 169 HA GLU 23 HA GLU 23 0.345 -7.796 6.649 170 HB2 GLU 23 HB2 GLU 23 0.911 -9.403 4.123 171 HB3 GLU 23 HB3 GLU 23 2.093 -8.509 5.070 172 HG2 GLU 23 HG2 GLU 23 0.580 -10.995 5.892 173 HG3 GLU 23 HG3 GLU 23 2.309 -10.843 5.583 174 H VAL 24 H VAL 24 -1.426 -7.951 3.593 175 HA VAL 24 HA VAL 24 -0.510 -5.579 2.378 176 HB VAL 24 HB VAL 24 -3.318 -6.779 2.214 177 HG11 VAL 24 HG11 VAL 24 -3.512 -5.599 0.042 178 HG12 VAL 24 HG12 VAL 24 -1.951 -4.820 0.328 179 HG13 VAL 24 HG13 VAL 24 -3.317 -4.482 1.393 180 HG21 VAL 24 HG21 VAL 24 -1.618 -8.432 1.562 181 HG22 VAL 24 HG22 VAL 24 -0.928 -7.297 0.399 182 HG23 VAL 24 HG23 VAL 24 -2.563 -7.922 0.160 183 H GLU 25 H GLU 25 -2.934 -6.125 4.916 184 HA GLU 25 HA GLU 25 -4.084 -3.588 5.136 185 HB2 GLU 25 HB2 GLU 25 -3.524 -5.690 7.258 186 HB3 GLU 25 HB3 GLU 25 -4.391 -4.203 7.629 187 HG2 GLU 25 HG2 GLU 25 -5.256 -6.327 5.644 188 HG3 GLU 25 HG3 GLU 25 -5.933 -6.054 7.249 189 H LYS 26 H LYS 26 -0.969 -4.743 6.350 190 HA LYS 26 HA LYS 26 -0.313 -2.285 7.715 191 HB2 LYS 26 HB2 LYS 26 1.408 -4.647 6.823 192 HB3 LYS 26 HB3 LYS 26 2.068 -3.236 7.652 193 HG2 LYS 26 HG2 LYS 26 1.815 -4.738 9.407 194 HG3 LYS 26 HG3 LYS 26 0.309 -3.826 9.529 195 HD2 LYS 26 HD2 LYS 26 -0.916 -5.611 8.412 196 HD3 LYS 26 HD3 LYS 26 0.582 -6.478 8.064 197 HE2 LYS 26 HE2 LYS 26 0.943 -6.759 10.529 198 HE3 LYS 26 HE3 LYS 26 -0.631 -6.006 10.812 199 HZ1 LYS 26 HZ1 LYS 26 -0.840 -8.393 10.842 200 HZ2 LYS 26 HZ2 LYS 26 -0.131 -8.524 9.313 201 HZ3 LYS 26 HZ3 LYS 26 -1.645 -7.786 9.483 202 H GLU 27 H GLU 27 0.625 -3.778 4.617 203 HA GLU 27 HA GLU 27 2.583 -1.985 3.814 204 HB2 GLU 27 HB2 GLU 27 0.786 -3.691 2.045 205 HB3 GLU 27 HB3 GLU 27 2.337 -3.010 1.568 206 HG2 GLU 27 HG2 GLU 27 2.011 -5.002 3.826 207 HG3 GLU 27 HG3 GLU 27 2.335 -5.465 2.164 208 H ALA 28 H ALA 28 -0.873 -2.013 3.041 209 HA ALA 28 HA ALA 28 -0.829 -0.005 1.051 210 HB1 ALA 28 HB1 ALA 28 -3.275 -0.055 1.195 211 HB2 ALA 28 HB2 ALA 28 -3.178 -0.986 2.691 212 HB3 ALA 28 HB3 ALA 28 -2.608 -1.689 1.178 213 H ARG 29 H ARG 29 -1.870 0.117 4.493 214 HA ARG 29 HA ARG 29 -2.487 2.895 4.444 215 HB2 ARG 29 HB2 ARG 29 -2.572 2.792 6.921 216 HB3 ARG 29 HB3 ARG 29 -3.494 1.500 6.168 217 HG2 ARG 29 HG2 ARG 29 -1.875 -0.152 6.783 218 HG3 ARG 29 HG3 ARG 29 -0.680 1.074 7.190 219 HD2 ARG 29 HD2 ARG 29 -3.273 0.676 8.727 220 HD3 ARG 29 HD3 ARG 29 -1.709 -0.025 9.182 221 HE ARG 29 HE ARG 29 -1.284 2.679 8.847 222 HH11 ARG 29 HH11 ARG 29 -3.231 0.712 11.022 223 HH12 ARG 29 HH12 ARG 29 -3.143 1.869 12.310 224 HH21 ARG 29 HH21 ARG 29 -1.127 4.141 10.545 225 HH22 ARG 29 HH22 ARG 29 -1.955 3.810 12.040 226 H ARG 30 H ARG 30 0.427 1.108 5.413 227 HA ARG 30 HA ARG 30 1.762 3.283 6.667 228 HB2 ARG 30 HB2 ARG 30 2.886 0.656 5.622 229 HB3 ARG 30 HB3 ARG 30 3.793 1.807 6.602 230 HG2 ARG 30 HG2 ARG 30 1.235 0.452 7.504 231 HG3 ARG 30 HG3 ARG 30 2.850 -0.138 7.883 232 HD2 ARG 30 HD2 ARG 30 3.313 1.749 9.277 233 HD3 ARG 30 HD3 ARG 30 1.949 2.651 8.627 234 HE ARG 30 HE ARG 30 0.585 1.671 10.142 235 HH11 ARG 30 HH11 ARG 30 3.500 -0.303 10.031 236 HH12 ARG 30 HH12 ARG 30 2.999 -1.277 11.375 237 HH21 ARG 30 HH21 ARG 30 -0.010 0.401 11.901 238 HH22 ARG 30 HH22 ARG 30 1.034 -0.884 12.423 239 H THR 31 H THR 31 1.969 1.887 3.396 240 HA THR 31 HA THR 31 4.044 3.527 2.391 241 HB THR 31 HB THR 31 1.693 2.327 0.848 242 HG1 THR 31 HG1 THR 31 3.297 0.974 2.086 243 HG21 THR 31 HG21 THR 31 2.819 4.112 -0.471 244 HG22 THR 31 HG22 THR 31 3.130 2.511 -1.152 245 HG23 THR 31 HG23 THR 31 4.369 3.334 -0.199 246 H LYS 32 H LYS 32 0.515 3.996 2.432 247 HA LYS 32 HA LYS 32 0.384 6.483 1.105 248 HB2 LYS 32 HB2 LYS 32 -1.461 5.225 3.180 249 HB3 LYS 32 HB3 LYS 32 -1.859 6.709 2.321 250 HG2 LYS 32 HG2 LYS 32 -1.444 3.977 1.048 251 HG3 LYS 32 HG3 LYS 32 -2.996 4.756 1.358 252 HD2 LYS 32 HD2 LYS 32 -1.968 6.701 -0.143 253 HD3 LYS 32 HD3 LYS 32 -0.910 5.412 -0.719 254 HE2 LYS 32 HE2 LYS 32 -2.811 5.612 -2.206 255 HE3 LYS 32 HE3 LYS 32 -2.945 4.084 -1.333 256 HZ1 LYS 32 HZ1 LYS 32 -5.040 5.374 -1.489 257 HZ2 LYS 32 HZ2 LYS 32 -4.341 6.571 -0.524 258 HZ3 LYS 32 HZ3 LYS 32 -4.577 5.023 0.094 259 H GLU 33 H GLU 33 0.833 5.667 4.521 260 HA GLU 33 HA GLU 33 0.720 8.269 5.640 261 HB2 GLU 33 HB2 GLU 33 2.004 5.690 6.652 262 HB3 GLU 33 HB3 GLU 33 1.957 7.171 7.605 263 HG2 GLU 33 HG2 GLU 33 -0.474 7.126 7.645 264 HG3 GLU 33 HG3 GLU 33 -0.499 5.728 6.574 265 H GLU 34 H GLU 34 3.417 6.281 4.478 266 HA GLU 34 HA GLU 34 5.516 8.051 5.283 267 HB2 GLU 34 HB2 GLU 34 5.461 5.694 3.361 268 HB3 GLU 34 HB3 GLU 34 6.942 6.554 3.780 269 HG2 GLU 34 HG2 GLU 34 6.725 5.896 6.111 270 HG3 GLU 34 HG3 GLU 34 5.148 5.172 5.793 271 H GLU 35 H GLU 35 3.500 7.841 2.428 272 HA GLU 35 HA GLU 35 5.145 9.632 0.840 273 HB2 GLU 35 HB2 GLU 35 2.283 8.700 0.390 274 HB3 GLU 35 HB3 GLU 35 3.228 9.658 -0.744 275 HG2 GLU 35 HG2 GLU 35 3.844 6.834 0.154 276 HG3 GLU 35 HG3 GLU 35 3.171 7.310 -1.404 277 H CYS 36 H CYS 36 2.494 9.963 3.111 278 HA CYS 36 HA CYS 36 2.341 12.880 2.593 279 HB2 CYS 36 HB2 CYS 36 0.279 11.095 3.950 280 HB3 CYS 36 HB3 CYS 36 0.081 12.802 3.546 281 H ARG 37 H ARG 37 4.320 11.406 4.369 282 HA ARG 37 HA ARG 37 3.518 11.930 7.102 283 HB2 ARG 37 HB2 ARG 37 5.639 10.980 7.766 284 HB3 ARG 37 HB3 ARG 37 4.906 9.981 6.531 285 HG2 ARG 37 HG2 ARG 37 7.032 9.939 5.714 286 HG3 ARG 37 HG3 ARG 37 6.542 11.445 4.946 287 HD2 ARG 37 HD2 ARG 37 8.775 11.599 6.029 288 HD3 ARG 37 HD3 ARG 37 7.620 12.737 6.725 289 HE ARG 37 HE ARG 37 7.603 11.533 8.708 290 HH11 ARG 37 HH11 ARG 37 9.547 9.789 6.347 291 HH12 ARG 37 HH12 ARG 37 10.216 8.724 7.537 292 HH21 ARG 37 HH21 ARG 37 8.496 10.143 10.226 293 HH22 ARG 37 HH22 ARG 37 9.623 8.919 9.730 294 H LYS 38 H LYS 38 4.898 13.848 4.673 295 HA LYS 38 HA LYS 38 6.220 15.721 6.493 296 HB2 LYS 38 HB2 LYS 38 5.832 15.823 3.463 297 HB3 LYS 38 HB3 LYS 38 6.700 17.037 4.395 298 HG2 LYS 38 HG2 LYS 38 7.485 14.119 4.154 299 HG3 LYS 38 HG3 LYS 38 8.220 15.453 3.260 300 HD2 LYS 38 HD2 LYS 38 8.973 16.452 5.415 301 HD3 LYS 38 HD3 LYS 38 8.259 15.088 6.280 302 HE2 LYS 38 HE2 LYS 38 9.814 13.549 5.090 303 HE3 LYS 38 HE3 LYS 38 10.554 14.943 4.293 304 HZ1 LYS 38 HZ1 LYS 38 11.144 15.803 6.502 305 HZ2 LYS 38 HZ2 LYS 38 11.849 14.294 6.207 306 HZ3 LYS 38 HZ3 LYS 38 10.499 14.414 7.219 Start of MODEL 16 1 H1 GLN 1 H1 GLN 1 -5.908 -9.630 -6.721 2 H2 GLN 1 H2 GLN 1 -6.598 -9.995 -8.221 3 H3 GLN 1 H3 GLN 1 -6.366 -8.381 -7.764 4 HA GLN 1 HA GLN 1 -4.201 -10.349 -8.168 5 HB2 GLN 1 HB2 GLN 1 -5.332 -9.846 -10.307 6 HB3 GLN 1 HB3 GLN 1 -5.177 -8.116 -10.011 7 HG2 GLN 1 HG2 GLN 1 -2.706 -8.338 -10.142 8 HG3 GLN 1 HG3 GLN 1 -2.887 -10.060 -10.475 9 HE21 GLN 1 HE21 GLN 1 -3.296 -6.835 -11.744 10 HE22 GLN 1 HE22 GLN 1 -3.480 -7.296 -13.400 11 H CYS 2 H CYS 2 -3.131 -9.735 -6.300 12 HA CYS 2 HA CYS 2 -1.862 -8.565 -4.855 13 HB2 CYS 2 HB2 CYS 2 -1.254 -6.856 -7.302 14 HB3 CYS 2 HB3 CYS 2 -0.285 -6.930 -5.830 15 H TYR 3 H TYR 3 -1.358 -5.604 -4.880 16 HA TYR 3 HA TYR 3 -4.077 -4.526 -4.392 17 HB2 TYR 3 HB2 TYR 3 -2.555 -5.285 -2.297 18 HB3 TYR 3 HB3 TYR 3 -1.821 -3.721 -2.547 19 HD1 TYR 3 HD2 TYR 3 -5.177 -5.324 -2.074 20 HD2 TYR 3 HD1 TYR 3 -2.786 -1.847 -1.413 21 HE1 TYR 3 HE2 TYR 3 -6.937 -4.371 -0.666 22 HE2 TYR 3 HE1 TYR 3 -4.548 -0.903 0.013 23 HH TYR 3 HH TYR 3 -7.024 -2.726 1.276 24 H THR 4 H THR 4 -4.029 -3.291 -6.258 25 HA THR 4 HA THR 4 -1.916 -1.304 -6.604 26 HB THR 4 HB THR 4 -4.453 -1.716 -8.255 27 HG1 THR 4 HG1 THR 4 -1.845 -2.523 -9.032 28 HG21 THR 4 HG21 THR 4 -3.278 -0.451 -10.002 29 HG22 THR 4 HG22 THR 4 -1.894 -0.227 -8.934 30 HG23 THR 4 HG23 THR 4 -3.438 0.533 -8.544 31 H PHE 5 H PHE 5 -2.053 0.606 -5.591 32 HA PHE 5 HA PHE 5 -4.609 1.955 -5.114 33 HB2 PHE 5 HB2 PHE 5 -4.079 2.372 -2.713 34 HB3 PHE 5 HB3 PHE 5 -4.336 0.667 -3.041 35 HD1 PHE 5 HD2 PHE 5 -2.226 -0.810 -3.360 36 HD2 PHE 5 HD1 PHE 5 -2.088 3.062 -1.557 37 HE1 PHE 5 HE2 PHE 5 -0.116 -1.405 -2.269 38 HE2 PHE 5 HE1 PHE 5 0.044 2.464 -0.462 39 HZ PHE 5 HZ PHE 5 1.024 0.223 -0.813 40 H ARG 6 H ARG 6 -4.334 4.219 -4.709 41 HA ARG 6 HA ARG 6 -1.770 5.286 -5.757 42 HB2 ARG 6 HB2 ARG 6 -3.686 5.565 -7.296 43 HB3 ARG 6 HB3 ARG 6 -4.626 6.341 -6.026 44 HG2 ARG 6 HG2 ARG 6 -2.909 8.183 -5.975 45 HG3 ARG 6 HG3 ARG 6 -2.128 7.426 -7.361 46 HD2 ARG 6 HD2 ARG 6 -4.080 7.825 -8.756 47 HD3 ARG 6 HD3 ARG 6 -5.016 8.392 -7.368 48 HE ARG 6 HE ARG 6 -2.610 9.800 -8.344 49 HH11 ARG 6 HH11 ARG 6 -6.011 9.904 -7.410 50 HH12 ARG 6 HH12 ARG 6 -6.110 11.633 -7.524 51 HH21 ARG 6 HH21 ARG 6 -2.750 12.034 -8.463 52 HH22 ARG 6 HH22 ARG 6 -4.246 12.837 -8.124 53 H SER 7 H SER 7 -0.736 6.795 -4.575 54 HA SER 7 HA SER 7 -2.068 8.118 -2.291 55 HB2 SER 7 HB2 SER 7 -0.003 6.831 -1.719 56 HB3 SER 7 HB3 SER 7 0.917 7.810 -2.863 57 HG SER 7 HG SER 7 0.608 8.357 -0.384 58 H GLU 8 H GLU 8 -2.932 9.947 -3.051 59 HA GLU 8 HA GLU 8 -2.123 11.572 -5.202 60 HB2 GLU 8 HB2 GLU 8 -3.684 13.261 -4.184 61 HB3 GLU 8 HB3 GLU 8 -4.393 11.654 -4.325 62 HG2 GLU 8 HG2 GLU 8 -3.858 11.243 -1.926 63 HG3 GLU 8 HG3 GLU 8 -3.251 12.889 -1.803 64 H CYS 9 H CYS 9 -0.976 11.420 -1.955 65 HA CYS 9 HA CYS 9 0.091 13.990 -1.529 66 HB2 CYS 9 HB2 CYS 9 1.004 11.308 -0.440 67 HB3 CYS 9 HB3 CYS 9 1.387 12.880 0.256 68 H THR 10 H THR 10 1.146 11.535 -3.609 69 HA THR 10 HA THR 10 3.740 12.803 -4.192 70 HB THR 10 HB THR 10 4.218 10.910 -2.686 71 HG1 THR 10 HG1 THR 10 5.555 9.655 -4.126 72 HG21 THR 10 HG21 THR 10 2.199 9.588 -3.024 73 HG22 THR 10 HG22 THR 10 3.624 8.588 -3.312 74 HG23 THR 10 HG23 THR 10 2.689 9.206 -4.675 75 H ASN 11 H ASN 11 0.790 11.519 -5.118 76 HA ASN 11 HA ASN 11 -0.308 10.926 -6.962 77 HB2 ASN 11 HB2 ASN 11 0.514 13.235 -7.611 78 HB3 ASN 11 HB3 ASN 11 1.862 12.484 -8.446 79 HD21 ASN 11 HD21 ASN 11 1.440 11.417 -10.434 80 HD22 ASN 11 HD22 ASN 11 -0.045 11.621 -11.300 81 H LYS 12 H LYS 12 1.443 9.012 -5.914 82 HA LYS 12 HA LYS 12 2.518 7.615 -8.304 83 HB2 LYS 12 HB2 LYS 12 4.127 8.343 -6.367 84 HB3 LYS 12 HB3 LYS 12 3.392 7.041 -5.439 85 HG2 LYS 12 HG2 LYS 12 5.413 6.187 -6.397 86 HG3 LYS 12 HG3 LYS 12 4.080 5.455 -7.303 87 HD2 LYS 12 HD2 LYS 12 4.376 7.164 -9.084 88 HD3 LYS 12 HD3 LYS 12 5.716 7.871 -8.178 89 HE2 LYS 12 HE2 LYS 12 6.911 5.656 -8.400 90 HE3 LYS 12 HE3 LYS 12 5.607 5.138 -9.478 91 HZ1 LYS 12 HZ1 LYS 12 7.513 6.038 -10.705 92 HZ2 LYS 12 HZ2 LYS 12 7.330 7.525 -9.923 93 HZ3 LYS 12 HZ3 LYS 12 6.122 6.963 -10.965 94 H GLU 13 H GLU 13 2.054 5.472 -8.539 95 HA GLU 13 HA GLU 13 -0.142 4.325 -6.911 96 HB2 GLU 13 HB2 GLU 13 -0.707 2.947 -8.887 97 HB3 GLU 13 HB3 GLU 13 -0.827 4.657 -9.242 98 HG2 GLU 13 HG2 GLU 13 1.496 2.896 -10.064 99 HG3 GLU 13 HG3 GLU 13 0.122 3.268 -11.097 100 H PHE 14 H PHE 14 0.167 2.362 -5.994 101 HA PHE 14 HA PHE 14 2.824 1.060 -6.246 102 HB2 PHE 14 HB2 PHE 14 1.130 1.268 -3.699 103 HB3 PHE 14 HB3 PHE 14 2.759 0.613 -3.840 104 HD1 PHE 14 HD2 PHE 14 4.699 2.136 -4.208 105 HD2 PHE 14 HD1 PHE 14 0.755 3.656 -3.531 106 HE1 PHE 14 HE2 PHE 14 5.627 4.360 -3.730 107 HE2 PHE 14 HE1 PHE 14 1.697 5.874 -3.062 108 HZ PHE 14 HZ PHE 14 4.125 6.226 -3.163 109 H THR 15 H THR 15 2.789 -1.187 -6.252 110 HA THR 15 HA THR 15 0.218 -2.600 -5.976 111 HB THR 15 HB THR 15 2.232 -3.065 -8.223 112 HG1 THR 15 HG1 THR 15 0.162 -1.348 -8.016 113 HG21 THR 15 HG21 THR 15 1.104 -5.171 -7.548 114 HG22 THR 15 HG22 THR 15 0.545 -4.638 -9.134 115 HG23 THR 15 HG23 THR 15 -0.469 -4.385 -7.712 116 H VAL 16 H VAL 16 0.463 -4.024 -4.386 117 HA VAL 16 HA VAL 16 3.107 -5.274 -3.860 118 HB VAL 16 HB VAL 16 2.836 -3.390 -2.342 119 HG11 VAL 16 HG11 VAL 16 0.400 -3.155 -2.312 120 HG12 VAL 16 HG12 VAL 16 1.052 -3.206 -0.672 121 HG13 VAL 16 HG13 VAL 16 0.253 -4.628 -1.349 122 HG21 VAL 16 HG21 VAL 16 3.152 -4.513 -0.182 123 HG22 VAL 16 HG22 VAL 16 3.974 -5.388 -1.475 124 HG23 VAL 16 HG23 VAL 16 2.446 -5.995 -0.833 125 H CYS 17 H CYS 17 3.042 -7.409 -3.264 126 HA CYS 17 HA CYS 17 0.411 -8.776 -3.180 127 HB2 CYS 17 HB2 CYS 17 2.215 -8.795 -5.387 128 HB3 CYS 17 HB3 CYS 17 2.425 -10.361 -4.626 129 H ARG 18 H ARG 18 0.498 -9.283 -1.025 130 HA ARG 18 HA ARG 18 2.751 -10.814 0.106 131 HB2 ARG 18 HB2 ARG 18 0.465 -9.231 1.237 132 HB3 ARG 18 HB3 ARG 18 0.940 -10.639 2.166 133 HG2 ARG 18 HG2 ARG 18 2.015 -8.610 3.000 134 HG3 ARG 18 HG3 ARG 18 3.197 -9.777 2.420 135 HD2 ARG 18 HD2 ARG 18 3.570 -8.477 0.403 136 HD3 ARG 18 HD3 ARG 18 2.254 -7.370 0.820 137 HE ARG 18 HE ARG 18 3.741 -6.971 2.924 138 HH11 ARG 18 HH11 ARG 18 4.993 -7.437 -0.344 139 HH12 ARG 18 HH12 ARG 18 6.401 -6.467 -0.055 140 HH21 ARG 18 HH21 ARG 18 5.547 -5.637 3.232 141 HH22 ARG 18 HH22 ARG 18 6.715 -5.453 1.956 142 HA PRO 19 HA PRO 19 0.573 -14.795 -0.140 143 HB2 PRO 19 HB2 PRO 19 0.867 -15.963 2.328 144 HB3 PRO 19 HB3 PRO 19 2.223 -15.762 1.198 145 HG2 PRO 19 HG2 PRO 19 1.449 -13.997 3.513 146 HG3 PRO 19 HG3 PRO 19 3.046 -14.678 3.116 147 HD2 PRO 19 HD2 PRO 19 2.438 -12.152 2.460 148 HD3 PRO 19 HD3 PRO 19 3.392 -13.166 1.346 149 H ASN 20 H ASN 20 -0.506 -12.438 2.144 150 HA ASN 20 HA ASN 20 -3.272 -13.295 1.847 151 HB2 ASN 20 HB2 ASN 20 -3.759 -13.218 4.301 152 HB3 ASN 20 HB3 ASN 20 -2.668 -14.531 3.878 153 HD21 ASN 20 HD21 ASN 20 -0.638 -14.545 4.731 154 HD22 ASN 20 HD22 ASN 20 -0.052 -13.393 5.868 155 HA PRO 21 HA PRO 21 -3.870 -8.833 1.655 156 HB2 PRO 21 HB2 PRO 21 -6.557 -8.667 2.366 157 HB3 PRO 21 HB3 PRO 21 -5.978 -9.193 0.772 158 HG2 PRO 21 HG2 PRO 21 -6.800 -10.884 3.112 159 HG3 PRO 21 HG3 PRO 21 -7.236 -11.052 1.397 160 HD2 PRO 21 HD2 PRO 21 -5.319 -12.592 2.458 161 HD3 PRO 21 HD3 PRO 21 -5.141 -11.938 0.810 162 H GLU 22 H GLU 22 -4.339 -10.546 4.661 163 HA GLU 22 HA GLU 22 -4.975 -8.501 6.471 164 HB2 GLU 22 HB2 GLU 22 -4.843 -11.003 6.971 165 HB3 GLU 22 HB3 GLU 22 -3.102 -10.846 6.985 166 HG2 GLU 22 HG2 GLU 22 -3.786 -10.863 9.257 167 HG3 GLU 22 HG3 GLU 22 -3.338 -9.199 8.883 168 H GLU 23 H GLU 23 -1.806 -9.743 5.452 169 HA GLU 23 HA GLU 23 -0.161 -7.907 6.835 170 HB2 GLU 23 HB2 GLU 23 0.375 -9.588 4.356 171 HB3 GLU 23 HB3 GLU 23 1.614 -8.650 5.183 172 HG2 GLU 23 HG2 GLU 23 1.257 -9.998 7.222 173 HG3 GLU 23 HG3 GLU 23 0.046 -10.953 6.363 174 H VAL 24 H VAL 24 -1.720 -7.832 3.689 175 HA VAL 24 HA VAL 24 -0.107 -5.844 2.497 176 HB VAL 24 HB VAL 24 -3.008 -6.498 1.799 177 HG11 VAL 24 HG11 VAL 24 -2.420 -5.596 -0.430 178 HG12 VAL 24 HG12 VAL 24 -0.816 -5.161 0.159 179 HG13 VAL 24 HG13 VAL 24 -2.245 -4.371 0.828 180 HG21 VAL 24 HG21 VAL 24 -1.596 -8.521 1.721 181 HG22 VAL 24 HG22 VAL 24 -0.461 -7.699 0.651 182 HG23 VAL 24 HG23 VAL 24 -2.106 -8.036 0.104 183 H GLU 25 H GLU 25 -3.124 -5.671 4.399 184 HA GLU 25 HA GLU 25 -3.664 -2.921 4.057 185 HB2 GLU 25 HB2 GLU 25 -4.288 -4.591 6.529 186 HB3 GLU 25 HB3 GLU 25 -5.046 -3.064 6.090 187 HG2 GLU 25 HG2 GLU 25 -5.305 -5.721 4.688 188 HG3 GLU 25 HG3 GLU 25 -6.554 -4.852 5.572 189 H LYS 26 H LYS 26 -1.642 -4.658 6.394 190 HA LYS 26 HA LYS 26 -0.904 -2.558 8.112 191 HB2 LYS 26 HB2 LYS 26 0.915 -4.851 7.248 192 HB3 LYS 26 HB3 LYS 26 1.026 -3.936 8.749 193 HG2 LYS 26 HG2 LYS 26 -1.233 -5.798 7.983 194 HG3 LYS 26 HG3 LYS 26 0.115 -6.223 9.036 195 HD2 LYS 26 HD2 LYS 26 -0.640 -4.470 10.654 196 HD3 LYS 26 HD3 LYS 26 -2.013 -4.118 9.597 197 HE2 LYS 26 HE2 LYS 26 -2.859 -6.403 9.893 198 HE3 LYS 26 HE3 LYS 26 -1.465 -6.812 10.897 199 HZ1 LYS 26 HZ1 LYS 26 -3.458 -6.284 12.197 200 HZ2 LYS 26 HZ2 LYS 26 -3.474 -4.722 11.567 201 HZ3 LYS 26 HZ3 LYS 26 -2.190 -5.229 12.544 202 H GLU 27 H GLU 27 0.608 -3.748 5.121 203 HA GLU 27 HA GLU 27 2.858 -1.990 5.159 204 HB2 GLU 27 HB2 GLU 27 1.771 -3.617 2.813 205 HB3 GLU 27 HB3 GLU 27 3.399 -2.968 2.972 206 HG2 GLU 27 HG2 GLU 27 2.173 -5.134 4.683 207 HG3 GLU 27 HG3 GLU 27 3.335 -5.385 3.389 208 H ALA 28 H ALA 28 -0.291 -1.981 3.575 209 HA ALA 28 HA ALA 28 0.332 -0.007 1.584 210 HB1 ALA 28 HB1 ALA 28 -2.038 -0.154 0.986 211 HB2 ALA 28 HB2 ALA 28 -2.391 -1.065 2.459 212 HB3 ALA 28 HB3 ALA 28 -1.363 -1.765 1.205 213 H ARG 29 H ARG 29 -1.417 0.026 4.687 214 HA ARG 29 HA ARG 29 -2.284 2.727 4.539 215 HB2 ARG 29 HB2 ARG 29 -2.912 2.531 6.858 216 HB3 ARG 29 HB3 ARG 29 -3.282 1.010 6.057 217 HG2 ARG 29 HG2 ARG 29 -1.148 0.060 7.019 218 HG3 ARG 29 HG3 ARG 29 -0.959 1.555 7.936 219 HD2 ARG 29 HD2 ARG 29 -3.061 1.119 9.128 220 HD3 ARG 29 HD3 ARG 29 -3.336 -0.330 8.152 221 HE ARG 29 HE ARG 29 -0.830 -0.498 9.459 222 HH11 ARG 29 HH11 ARG 29 -4.267 -0.743 10.188 223 HH12 ARG 29 HH12 ARG 29 -4.025 -1.774 11.562 224 HH21 ARG 29 HH21 ARG 29 -0.516 -1.799 11.294 225 HH22 ARG 29 HH22 ARG 29 -1.896 -2.366 12.181 226 H ARG 30 H ARG 30 0.629 1.176 5.759 227 HA ARG 30 HA ARG 30 1.849 3.491 6.885 228 HB2 ARG 30 HB2 ARG 30 3.044 0.867 5.908 229 HB3 ARG 30 HB3 ARG 30 4.000 2.124 6.671 230 HG2 ARG 30 HG2 ARG 30 1.711 0.635 7.981 231 HG3 ARG 30 HG3 ARG 30 3.422 0.272 8.193 232 HD2 ARG 30 HD2 ARG 30 2.982 1.518 10.090 233 HD3 ARG 30 HD3 ARG 30 3.570 2.778 9.007 234 HE ARG 30 HE ARG 30 0.689 2.250 9.441 235 HH11 ARG 30 HH11 ARG 30 3.368 4.553 9.350 236 HH12 ARG 30 HH12 ARG 30 2.332 5.921 9.617 237 HH21 ARG 30 HH21 ARG 30 -0.612 4.044 9.868 238 HH22 ARG 30 HH22 ARG 30 0.094 5.629 9.910 239 H THR 31 H THR 31 2.103 1.868 3.703 240 HA THR 31 HA THR 31 4.097 3.410 2.495 241 HB THR 31 HB THR 31 1.704 2.035 1.177 242 HG1 THR 31 HG1 THR 31 3.574 0.936 2.451 243 HG21 THR 31 HG21 THR 31 2.690 3.670 -0.414 244 HG22 THR 31 HG22 THR 31 3.029 2.014 -0.915 245 HG23 THR 31 HG23 THR 31 4.289 2.976 -0.138 246 H LYS 32 H LYS 32 0.607 3.929 2.539 247 HA LYS 32 HA LYS 32 0.390 6.268 1.030 248 HB2 LYS 32 HB2 LYS 32 -1.274 5.147 3.318 249 HB3 LYS 32 HB3 LYS 32 -1.750 6.597 2.451 250 HG2 LYS 32 HG2 LYS 32 -1.350 3.877 1.143 251 HG3 LYS 32 HG3 LYS 32 -2.908 4.510 1.671 252 HD2 LYS 32 HD2 LYS 32 -1.112 5.684 -0.485 253 HD3 LYS 32 HD3 LYS 32 -2.643 4.840 -0.734 254 HE2 LYS 32 HE2 LYS 32 -2.273 7.529 0.633 255 HE3 LYS 32 HE3 LYS 32 -2.964 7.246 -0.959 256 HZ1 LYS 32 HZ1 LYS 32 -4.679 7.637 0.644 257 HZ2 LYS 32 HZ2 LYS 32 -4.131 6.376 1.623 258 HZ3 LYS 32 HZ3 LYS 32 -4.774 6.041 0.098 259 H GLU 33 H GLU 33 0.832 5.876 4.568 260 HA GLU 33 HA GLU 33 0.859 8.593 5.273 261 HB2 GLU 33 HB2 GLU 33 2.163 6.200 6.615 262 HB3 GLU 33 HB3 GLU 33 2.099 7.795 7.345 263 HG2 GLU 33 HG2 GLU 33 -0.312 6.135 6.587 264 HG3 GLU 33 HG3 GLU 33 0.371 6.245 8.202 265 H GLU 34 H GLU 34 3.567 6.435 4.407 266 HA GLU 34 HA GLU 34 5.657 8.210 5.066 267 HB2 GLU 34 HB2 GLU 34 5.770 6.007 2.975 268 HB3 GLU 34 HB3 GLU 34 7.134 6.729 3.809 269 HG2 GLU 34 HG2 GLU 34 5.078 4.817 4.882 270 HG3 GLU 34 HG3 GLU 34 6.817 4.610 4.795 271 H GLU 35 H GLU 35 3.715 7.859 2.192 272 HA GLU 35 HA GLU 35 5.292 9.614 0.524 273 HB2 GLU 35 HB2 GLU 35 2.484 8.501 0.188 274 HB3 GLU 35 HB3 GLU 35 3.371 9.386 -1.044 275 HG2 GLU 35 HG2 GLU 35 4.100 6.704 0.127 276 HG3 GLU 35 HG3 GLU 35 3.491 7.017 -1.494 277 H CYS 36 H CYS 36 2.601 9.930 2.719 278 HA CYS 36 HA CYS 36 1.982 12.665 1.923 279 HB2 CYS 36 HB2 CYS 36 0.867 10.968 4.183 280 HB3 CYS 36 HB3 CYS 36 0.244 12.539 3.676 281 H ARG 37 H ARG 37 4.480 11.387 3.602 282 HA ARG 37 HA ARG 37 5.014 13.904 4.996 283 HB2 ARG 37 HB2 ARG 37 5.604 12.879 7.091 284 HB3 ARG 37 HB3 ARG 37 3.980 12.353 6.684 285 HG2 ARG 37 HG2 ARG 37 4.953 10.166 5.889 286 HG3 ARG 37 HG3 ARG 37 6.527 10.699 6.481 287 HD2 ARG 37 HD2 ARG 37 5.550 10.921 8.772 288 HD3 ARG 37 HD3 ARG 37 4.017 10.299 8.156 289 HE ARG 37 HE ARG 37 5.619 8.293 7.485 290 HH11 ARG 37 HH11 ARG 37 5.521 10.065 10.541 291 HH12 ARG 37 HH12 ARG 37 6.074 8.709 11.469 292 HH21 ARG 37 HH21 ARG 37 6.369 6.554 8.721 293 HH22 ARG 37 HH22 ARG 37 6.555 6.719 10.446 294 H LYS 38 H LYS 38 7.386 13.636 6.019 295 HA LYS 38 HA LYS 38 9.125 12.663 3.841 296 HB2 LYS 38 HB2 LYS 38 10.887 14.165 4.922 297 HB3 LYS 38 HB3 LYS 38 9.526 14.995 4.178 298 HG2 LYS 38 HG2 LYS 38 8.533 15.444 6.349 299 HG3 LYS 38 HG3 LYS 38 9.753 14.460 7.157 300 HD2 LYS 38 HD2 LYS 38 11.507 16.072 6.500 301 HD3 LYS 38 HD3 LYS 38 10.307 17.051 5.650 302 HE2 LYS 38 HE2 LYS 38 10.259 16.464 8.633 303 HE3 LYS 38 HE3 LYS 38 10.869 17.951 7.905 304 HZ1 LYS 38 HZ1 LYS 38 8.614 18.259 8.660 305 HZ2 LYS 38 HZ2 LYS 38 8.076 16.943 7.743 306 HZ3 LYS 38 HZ3 LYS 38 8.651 18.330 6.971 Start of MODEL 17 1 H1 GLN 1 H1 GLN 1 -1.870 -12.525 -7.009 2 H2 GLN 1 H2 GLN 1 -3.400 -13.221 -6.806 3 H3 GLN 1 H3 GLN 1 -2.448 -12.841 -5.458 4 HA GLN 1 HA GLN 1 -3.518 -10.873 -7.383 5 HB2 GLN 1 HB2 GLN 1 -5.125 -10.226 -5.629 6 HB3 GLN 1 HB3 GLN 1 -5.326 -11.924 -6.051 7 HG2 GLN 1 HG2 GLN 1 -3.943 -12.508 -4.023 8 HG3 GLN 1 HG3 GLN 1 -3.977 -10.807 -3.572 9 HE21 GLN 1 HE21 GLN 1 -6.684 -12.633 -4.962 10 HE22 GLN 1 HE22 GLN 1 -7.680 -12.568 -3.553 11 H CYS 2 H CYS 2 -3.338 -8.666 -6.565 12 HA CYS 2 HA CYS 2 -1.312 -8.087 -4.539 13 HB2 CYS 2 HB2 CYS 2 -0.998 -7.135 -7.419 14 HB3 CYS 2 HB3 CYS 2 0.075 -6.771 -6.072 15 H TYR 3 H TYR 3 -1.764 -6.121 -3.555 16 HA TYR 3 HA TYR 3 -4.228 -4.761 -4.293 17 HB2 TYR 3 HB2 TYR 3 -3.484 -5.325 -1.897 18 HB3 TYR 3 HB3 TYR 3 -2.311 -4.031 -2.042 19 HD1 TYR 3 HD2 TYR 3 -5.975 -4.399 -2.866 20 HD2 TYR 3 HD1 TYR 3 -2.988 -2.127 -0.810 21 HE1 TYR 3 HE2 TYR 3 -7.697 -2.835 -2.083 22 HE2 TYR 3 HE1 TYR 3 -4.719 -0.575 -0.020 23 HH TYR 3 HH TYR 3 -8.047 -1.252 -0.229 24 H THR 4 H THR 4 -4.282 -3.026 -5.590 25 HA THR 4 HA THR 4 -1.805 -1.487 -6.115 26 HB THR 4 HB THR 4 -4.246 -1.724 -7.933 27 HG1 THR 4 HG1 THR 4 -3.515 -3.618 -8.436 28 HG21 THR 4 HG21 THR 4 -1.394 -0.829 -8.519 29 HG22 THR 4 HG22 THR 4 -2.804 0.233 -8.404 30 HG23 THR 4 HG23 THR 4 -2.692 -0.963 -9.700 31 H PHE 5 H PHE 5 -1.802 0.521 -5.303 32 HA PHE 5 HA PHE 5 -4.261 2.048 -4.792 33 HB2 PHE 5 HB2 PHE 5 -3.476 2.447 -2.397 34 HB3 PHE 5 HB3 PHE 5 -4.065 0.826 -2.728 35 HD1 PHE 5 HD2 PHE 5 -2.359 -1.027 -3.142 36 HD2 PHE 5 HD1 PHE 5 -1.244 2.742 -1.461 37 HE1 PHE 5 HE2 PHE 5 -0.336 -2.040 -2.241 38 HE2 PHE 5 HE1 PHE 5 0.802 1.707 -0.555 39 HZ PHE 5 HZ PHE 5 1.242 -0.697 -0.937 40 H ARG 6 H ARG 6 -3.925 4.255 -4.825 41 HA ARG 6 HA ARG 6 -1.194 5.173 -5.549 42 HB2 ARG 6 HB2 ARG 6 -2.840 5.009 -7.471 43 HB3 ARG 6 HB3 ARG 6 -3.829 6.222 -6.670 44 HG2 ARG 6 HG2 ARG 6 -2.051 7.894 -6.921 45 HG3 ARG 6 HG3 ARG 6 -0.968 6.675 -7.603 46 HD2 ARG 6 HD2 ARG 6 -2.699 6.354 -9.445 47 HD3 ARG 6 HD3 ARG 6 -3.508 7.788 -8.813 48 HE ARG 6 HE ARG 6 -0.709 8.180 -9.429 49 HH11 ARG 6 HH11 ARG 6 -3.983 8.332 -10.749 50 HH12 ARG 6 HH12 ARG 6 -3.537 9.409 -12.030 51 HH21 ARG 6 HH21 ARG 6 -0.145 9.540 -11.175 52 HH22 ARG 6 HH22 ARG 6 -1.374 10.091 -12.271 53 H SER 7 H SER 7 -0.431 6.491 -4.045 54 HA SER 7 HA SER 7 -2.197 8.191 -2.423 55 HB2 SER 7 HB2 SER 7 -0.287 6.990 -1.294 56 HB3 SER 7 HB3 SER 7 0.843 7.922 -2.268 57 HG SER 7 HG SER 7 -0.975 8.880 -0.312 58 H GLU 8 H GLU 8 -2.878 9.926 -3.533 59 HA GLU 8 HA GLU 8 -1.405 11.072 -5.719 60 HB2 GLU 8 HB2 GLU 8 -4.026 11.916 -4.435 61 HB3 GLU 8 HB3 GLU 8 -3.365 12.614 -5.912 62 HG2 GLU 8 HG2 GLU 8 -3.557 10.458 -7.065 63 HG3 GLU 8 HG3 GLU 8 -4.113 9.684 -5.580 64 H CYS 9 H CYS 9 -1.068 11.547 -2.427 65 HA CYS 9 HA CYS 9 -0.333 14.251 -2.198 66 HB2 CYS 9 HB2 CYS 9 0.890 11.801 -0.844 67 HB3 CYS 9 HB3 CYS 9 1.210 13.461 -0.356 68 H THR 10 H THR 10 1.375 11.471 -3.506 69 HA THR 10 HA THR 10 3.647 13.137 -4.422 70 HB THR 10 HB THR 10 4.888 10.949 -4.624 71 HG1 THR 10 HG1 THR 10 3.848 9.185 -3.303 72 HG21 THR 10 HG21 THR 10 5.217 12.303 -2.602 73 HG22 THR 10 HG22 THR 10 5.261 10.585 -2.199 74 HG23 THR 10 HG23 THR 10 3.820 11.540 -1.838 75 H ASN 11 H ASN 11 0.957 11.144 -5.220 76 HA ASN 11 HA ASN 11 -0.232 10.789 -7.078 77 HB2 ASN 11 HB2 ASN 11 0.365 13.033 -7.823 78 HB3 ASN 11 HB3 ASN 11 1.897 12.458 -8.436 79 HD21 ASN 11 HD21 ASN 11 -1.569 12.426 -8.914 80 HD22 ASN 11 HD22 ASN 11 -1.532 12.030 -10.594 81 H LYS 12 H LYS 12 2.382 9.281 -6.196 82 HA LYS 12 HA LYS 12 2.819 7.537 -8.514 83 HB2 LYS 12 HB2 LYS 12 4.020 7.570 -5.712 84 HB3 LYS 12 HB3 LYS 12 4.292 6.232 -6.818 85 HG2 LYS 12 HG2 LYS 12 6.205 7.651 -6.935 86 HG3 LYS 12 HG3 LYS 12 5.313 7.827 -8.448 87 HD2 LYS 12 HD2 LYS 12 4.333 9.950 -7.602 88 HD3 LYS 12 HD3 LYS 12 5.256 9.775 -6.110 89 HE2 LYS 12 HE2 LYS 12 7.341 10.071 -7.303 90 HE3 LYS 12 HE3 LYS 12 6.511 10.027 -8.861 91 HZ1 LYS 12 HZ1 LYS 12 5.339 12.055 -8.253 92 HZ2 LYS 12 HZ2 LYS 12 7.014 12.293 -8.203 93 HZ3 LYS 12 HZ3 LYS 12 6.146 12.103 -6.768 94 H GLU 13 H GLU 13 2.158 5.410 -8.637 95 HA GLU 13 HA GLU 13 0.149 4.445 -6.683 96 HB2 GLU 13 HB2 GLU 13 -0.718 4.804 -8.974 97 HB3 GLU 13 HB3 GLU 13 0.490 3.701 -9.619 98 HG2 GLU 13 HG2 GLU 13 -0.538 1.819 -8.453 99 HG3 GLU 13 HG3 GLU 13 -1.672 2.906 -7.635 100 H PHE 14 H PHE 14 0.256 2.253 -6.052 101 HA PHE 14 HA PHE 14 2.944 1.033 -6.152 102 HB2 PHE 14 HB2 PHE 14 1.329 1.304 -3.575 103 HB3 PHE 14 HB3 PHE 14 3.027 0.870 -3.744 104 HD1 PHE 14 HD2 PHE 14 4.616 2.685 -4.696 105 HD2 PHE 14 HD1 PHE 14 0.725 3.549 -3.137 106 HE1 PHE 14 HE2 PHE 14 5.230 5.044 -4.443 107 HE2 PHE 14 HE1 PHE 14 1.353 5.910 -2.897 108 HZ PHE 14 HZ PHE 14 3.605 6.657 -3.552 109 H THR 15 H THR 15 2.922 -1.227 -5.602 110 HA THR 15 HA THR 15 0.341 -2.635 -5.600 111 HB THR 15 HB THR 15 2.603 -3.126 -7.575 112 HG1 THR 15 HG1 THR 15 0.016 -1.975 -7.802 113 HG21 THR 15 HG21 THR 15 1.128 -4.829 -8.600 114 HG22 THR 15 HG22 THR 15 -0.045 -4.592 -7.303 115 HG23 THR 15 HG23 THR 15 1.547 -5.260 -6.939 116 H VAL 16 H VAL 16 0.451 -3.999 -3.896 117 HA VAL 16 HA VAL 16 3.075 -5.140 -3.120 118 HB VAL 16 HB VAL 16 2.275 -3.404 -1.547 119 HG11 VAL 16 HG11 VAL 16 -0.046 -5.248 -0.881 120 HG12 VAL 16 HG12 VAL 16 -0.156 -3.692 -1.705 121 HG13 VAL 16 HG13 VAL 16 0.380 -3.760 -0.026 122 HG21 VAL 16 HG21 VAL 16 3.774 -5.172 -0.749 123 HG22 VAL 16 HG22 VAL 16 2.395 -6.190 -0.323 124 HG23 VAL 16 HG23 VAL 16 2.675 -4.675 0.540 125 H CYS 17 H CYS 17 3.160 -7.203 -3.515 126 HA CYS 17 HA CYS 17 0.749 -8.853 -3.808 127 HB2 CYS 17 HB2 CYS 17 3.631 -9.404 -4.624 128 HB3 CYS 17 HB3 CYS 17 2.240 -10.416 -5.007 129 H ARG 18 H ARG 18 0.228 -9.355 -1.705 130 HA ARG 18 HA ARG 18 2.088 -11.167 -0.267 131 HB2 ARG 18 HB2 ARG 18 -0.088 -9.393 0.955 132 HB3 ARG 18 HB3 ARG 18 0.942 -10.508 1.845 133 HG2 ARG 18 HG2 ARG 18 1.879 -8.014 0.376 134 HG3 ARG 18 HG3 ARG 18 1.670 -8.179 2.125 135 HD2 ARG 18 HD2 ARG 18 3.650 -9.726 0.405 136 HD3 ARG 18 HD3 ARG 18 4.032 -8.387 1.493 137 HE ARG 18 HE ARG 18 2.733 -10.395 2.976 138 HH11 ARG 18 HH11 ARG 18 5.837 -9.937 1.342 139 HH12 ARG 18 HH12 ARG 18 6.680 -11.013 2.409 140 HH21 ARG 18 HH21 ARG 18 3.902 -11.752 4.389 141 HH22 ARG 18 HH22 ARG 18 5.591 -12.030 4.118 142 HA PRO 19 HA PRO 19 -1.024 -14.266 -1.092 143 HB2 PRO 19 HB2 PRO 19 -0.444 -16.188 0.753 144 HB3 PRO 19 HB3 PRO 19 0.686 -15.789 -0.563 145 HG2 PRO 19 HG2 PRO 19 0.727 -14.852 2.300 146 HG3 PRO 19 HG3 PRO 19 2.067 -15.473 1.308 147 HD2 PRO 19 HD2 PRO 19 1.653 -12.795 1.689 148 HD3 PRO 19 HD3 PRO 19 2.365 -13.446 0.195 149 H ASN 20 H ASN 20 -1.257 -12.274 1.530 150 HA ASN 20 HA ASN 20 -3.976 -13.069 2.193 151 HB2 ASN 20 HB2 ASN 20 -3.537 -13.040 4.623 152 HB3 ASN 20 HB3 ASN 20 -2.564 -14.282 3.843 153 HD21 ASN 20 HD21 ASN 20 -2.065 -13.181 6.389 154 HD22 ASN 20 HD22 ASN 20 -0.535 -12.374 6.348 155 HA PRO 21 HA PRO 21 -4.334 -8.550 2.300 156 HB2 PRO 21 HB2 PRO 21 -6.614 -8.220 3.806 157 HB3 PRO 21 HB3 PRO 21 -6.643 -8.810 2.126 158 HG2 PRO 21 HG2 PRO 21 -6.765 -10.395 4.678 159 HG3 PRO 21 HG3 PRO 21 -7.750 -10.559 3.205 160 HD2 PRO 21 HD2 PRO 21 -5.643 -12.205 3.699 161 HD3 PRO 21 HD3 PRO 21 -6.072 -11.714 2.048 162 H GLU 22 H GLU 22 -3.814 -10.446 5.101 163 HA GLU 22 HA GLU 22 -3.962 -8.583 7.201 164 HB2 GLU 22 HB2 GLU 22 -3.585 -11.319 6.977 165 HB3 GLU 22 HB3 GLU 22 -1.986 -10.820 7.497 166 HG2 GLU 22 HG2 GLU 22 -4.541 -10.128 8.982 167 HG3 GLU 22 HG3 GLU 22 -3.580 -11.571 9.310 168 H GLU 23 H GLU 23 -1.089 -9.719 5.338 169 HA GLU 23 HA GLU 23 0.663 -7.692 6.423 170 HB2 GLU 23 HB2 GLU 23 0.992 -9.938 4.444 171 HB3 GLU 23 HB3 GLU 23 2.123 -8.598 4.316 172 HG2 GLU 23 HG2 GLU 23 3.080 -10.358 5.678 173 HG3 GLU 23 HG3 GLU 23 2.823 -8.908 6.639 174 H VAL 24 H VAL 24 -1.374 -7.979 3.553 175 HA VAL 24 HA VAL 24 -0.354 -5.905 1.980 176 HB VAL 24 HB VAL 24 -3.211 -6.929 2.293 177 HG11 VAL 24 HG11 VAL 24 -3.843 -5.591 0.276 178 HG12 VAL 24 HG12 VAL 24 -2.287 -4.750 0.371 179 HG13 VAL 24 HG13 VAL 24 -3.466 -4.584 1.675 180 HG21 VAL 24 HG21 VAL 24 -1.221 -7.168 -0.000 181 HG22 VAL 24 HG22 VAL 24 -2.847 -7.862 0.026 182 HG23 VAL 24 HG23 VAL 24 -1.622 -8.437 1.159 183 H GLU 25 H GLU 25 -2.797 -5.777 4.588 184 HA GLU 25 HA GLU 25 -3.527 -3.089 4.407 185 HB2 GLU 25 HB2 GLU 25 -3.551 -4.968 6.803 186 HB3 GLU 25 HB3 GLU 25 -4.291 -3.363 6.819 187 HG2 GLU 25 HG2 GLU 25 -5.848 -4.028 5.056 188 HG3 GLU 25 HG3 GLU 25 -5.073 -5.608 4.934 189 H LYS 26 H LYS 26 -1.014 -4.665 6.367 190 HA LYS 26 HA LYS 26 -0.090 -2.517 7.879 191 HB2 LYS 26 HB2 LYS 26 1.514 -4.844 6.724 192 HB3 LYS 26 HB3 LYS 26 2.098 -3.760 7.987 193 HG2 LYS 26 HG2 LYS 26 0.314 -4.559 9.498 194 HG3 LYS 26 HG3 LYS 26 -0.277 -5.641 8.225 195 HD2 LYS 26 HD2 LYS 26 1.889 -6.835 8.229 196 HD3 LYS 26 HD3 LYS 26 2.498 -5.755 9.490 197 HE2 LYS 26 HE2 LYS 26 1.795 -7.921 10.420 198 HE3 LYS 26 HE3 LYS 26 0.779 -6.619 11.040 199 HZ1 LYS 26 HZ1 LYS 26 -0.499 -8.589 10.366 200 HZ2 LYS 26 HZ2 LYS 26 0.050 -8.410 8.785 201 HZ3 LYS 26 HZ3 LYS 26 -0.940 -7.220 9.481 202 H GLU 27 H GLU 27 1.096 -3.681 4.722 203 HA GLU 27 HA GLU 27 3.116 -1.685 4.451 204 HB2 GLU 27 HB2 GLU 27 1.982 -3.554 2.324 205 HB3 GLU 27 HB3 GLU 27 3.498 -2.654 2.219 206 HG2 GLU 27 HG2 GLU 27 2.829 -4.988 4.032 207 HG3 GLU 27 HG3 GLU 27 4.042 -4.925 2.755 208 H ALA 28 H ALA 28 -0.194 -2.007 3.330 209 HA ALA 28 HA ALA 28 -0.113 -0.156 1.196 210 HB1 ALA 28 HB1 ALA 28 -2.533 -1.133 2.753 211 HB2 ALA 28 HB2 ALA 28 -1.831 -1.921 1.339 212 HB3 ALA 28 HB3 ALA 28 -2.564 -0.325 1.179 213 H ARG 29 H ARG 29 -1.354 0.075 4.523 214 HA ARG 29 HA ARG 29 -2.084 2.831 4.285 215 HB2 ARG 29 HB2 ARG 29 -2.711 2.739 6.620 216 HB3 ARG 29 HB3 ARG 29 -3.265 1.274 5.817 217 HG2 ARG 29 HG2 ARG 29 -1.216 0.112 6.770 218 HG3 ARG 29 HG3 ARG 29 -0.931 1.569 7.731 219 HD2 ARG 29 HD2 ARG 29 -3.077 1.295 8.855 220 HD3 ARG 29 HD3 ARG 29 -3.499 -0.067 7.806 221 HE ARG 29 HE ARG 29 -1.117 -0.229 9.515 222 HH11 ARG 29 HH11 ARG 29 -4.371 -1.372 8.812 223 HH12 ARG 29 HH12 ARG 29 -4.233 -2.749 9.852 224 HH21 ARG 29 HH21 ARG 29 -0.950 -2.055 10.852 225 HH22 ARG 29 HH22 ARG 29 -2.299 -3.136 11.013 226 H ARG 30 H ARG 30 0.785 1.114 5.584 227 HA ARG 30 HA ARG 30 1.967 3.415 6.779 228 HB2 ARG 30 HB2 ARG 30 3.218 0.812 5.842 229 HB3 ARG 30 HB3 ARG 30 4.180 2.103 6.542 230 HG2 ARG 30 HG2 ARG 30 2.062 0.421 7.881 231 HG3 ARG 30 HG3 ARG 30 3.780 0.499 8.250 232 HD2 ARG 30 HD2 ARG 30 2.950 1.764 9.992 233 HD3 ARG 30 HD3 ARG 30 3.185 3.057 8.810 234 HE ARG 30 HE ARG 30 0.565 1.741 8.912 235 HH11 ARG 30 HH11 ARG 30 2.458 4.594 9.782 236 HH12 ARG 30 HH12 ARG 30 1.058 5.569 10.092 237 HH21 ARG 30 HH21 ARG 30 -1.253 3.049 9.342 238 HH22 ARG 30 HH22 ARG 30 -1.032 4.689 9.838 239 H THR 31 H THR 31 2.154 2.015 3.525 240 HA THR 31 HA THR 31 4.107 3.806 2.477 241 HB THR 31 HB THR 31 1.955 2.212 1.013 242 HG1 THR 31 HG1 THR 31 3.698 1.135 2.279 243 HG21 THR 31 HG21 THR 31 4.447 3.532 -0.151 244 HG22 THR 31 HG22 THR 31 2.783 4.041 -0.459 245 HG23 THR 31 HG23 THR 31 3.351 2.463 -1.019 246 H LYS 32 H LYS 32 0.507 3.896 2.521 247 HA LYS 32 HA LYS 32 0.100 6.296 1.108 248 HB2 LYS 32 HB2 LYS 32 -1.527 4.986 3.329 249 HB3 LYS 32 HB3 LYS 32 -2.060 6.468 2.535 250 HG2 LYS 32 HG2 LYS 32 -1.637 3.766 1.207 251 HG3 LYS 32 HG3 LYS 32 -3.188 4.531 1.584 252 HD2 LYS 32 HD2 LYS 32 -2.446 6.463 0.050 253 HD3 LYS 32 HD3 LYS 32 -1.113 5.421 -0.462 254 HE2 LYS 32 HE2 LYS 32 -2.976 5.308 -2.046 255 HE3 LYS 32 HE3 LYS 32 -2.750 3.749 -1.252 256 HZ1 LYS 32 HZ1 LYS 32 -4.587 4.204 0.184 257 HZ2 LYS 32 HZ2 LYS 32 -5.089 4.444 -1.410 258 HZ3 LYS 32 HZ3 LYS 32 -4.754 5.775 -0.425 259 H GLU 33 H GLU 33 0.485 5.744 4.593 260 HA GLU 33 HA GLU 33 0.352 8.446 5.406 261 HB2 GLU 33 HB2 GLU 33 1.543 6.047 6.854 262 HB3 GLU 33 HB3 GLU 33 1.265 7.624 7.590 263 HG2 GLU 33 HG2 GLU 33 -0.846 5.720 6.532 264 HG3 GLU 33 HG3 GLU 33 -0.479 6.037 8.222 265 H GLU 34 H GLU 34 2.971 6.437 4.211 266 HA GLU 34 HA GLU 34 5.140 8.075 5.126 267 HB2 GLU 34 HB2 GLU 34 5.414 5.664 4.533 268 HB3 GLU 34 HB3 GLU 34 5.092 6.042 2.850 269 HG2 GLU 34 HG2 GLU 34 7.488 5.746 3.228 270 HG3 GLU 34 HG3 GLU 34 7.137 7.406 2.737 271 H GLU 35 H GLU 35 3.306 7.827 2.074 272 HA GLU 35 HA GLU 35 4.834 9.794 0.657 273 HB2 GLU 35 HB2 GLU 35 2.009 8.851 0.029 274 HB3 GLU 35 HB3 GLU 35 3.126 9.651 -1.075 275 HG2 GLU 35 HG2 GLU 35 3.325 6.853 0.052 276 HG3 GLU 35 HG3 GLU 35 3.008 7.312 -1.609 277 H CYS 36 H CYS 36 2.150 9.914 2.852 278 HA CYS 36 HA CYS 36 1.704 12.804 2.366 279 HB2 CYS 36 HB2 CYS 36 -0.166 10.817 3.730 280 HB3 CYS 36 HB3 CYS 36 -0.536 12.484 3.301 281 H ARG 37 H ARG 37 3.883 11.488 4.087 282 HA ARG 37 HA ARG 37 3.088 11.752 6.840 283 HB2 ARG 37 HB2 ARG 37 5.277 11.037 7.450 284 HB3 ARG 37 HB3 ARG 37 4.872 10.152 5.999 285 HG2 ARG 37 HG2 ARG 37 6.939 10.699 5.270 286 HG3 ARG 37 HG3 ARG 37 6.281 12.306 4.958 287 HD2 ARG 37 HD2 ARG 37 8.404 12.386 6.229 288 HD3 ARG 37 HD3 ARG 37 7.061 13.073 7.158 289 HE ARG 37 HE ARG 37 7.670 10.247 7.602 290 HH11 ARG 37 HH11 ARG 37 8.087 13.524 8.836 291 HH12 ARG 37 HH12 ARG 37 8.503 12.988 10.427 292 HH21 ARG 37 HH21 ARG 37 8.155 9.584 9.703 293 HH22 ARG 37 HH22 ARG 37 8.545 10.756 10.924 294 H LYS 38 H LYS 38 4.924 13.745 4.623 295 HA LYS 38 HA LYS 38 5.349 15.889 6.561 296 HB2 LYS 38 HB2 LYS 38 7.172 15.240 4.980 297 HB3 LYS 38 HB3 LYS 38 6.139 15.644 3.618 298 HG2 LYS 38 HG2 LYS 38 6.087 18.039 4.524 299 HG3 LYS 38 HG3 LYS 38 7.348 17.544 5.657 300 HD2 LYS 38 HD2 LYS 38 7.535 17.506 2.613 301 HD3 LYS 38 HD3 LYS 38 8.317 18.666 3.686 302 HE2 LYS 38 HE2 LYS 38 9.746 16.917 4.604 303 HE3 LYS 38 HE3 LYS 38 8.892 15.680 3.680 304 HZ1 LYS 38 HZ1 LYS 38 9.655 16.751 1.634 305 HZ2 LYS 38 HZ2 LYS 38 10.954 16.268 2.601 306 HZ3 LYS 38 HZ3 LYS 38 10.514 17.898 2.536 Start of MODEL 18 1 H1 GLN 1 H1 GLN 1 -4.635 -8.268 -8.830 2 H2 GLN 1 H2 GLN 1 -4.822 -8.825 -10.414 3 H3 GLN 1 H3 GLN 1 -4.371 -7.223 -10.129 4 HA GLN 1 HA GLN 1 -2.776 -9.606 -9.459 5 HB2 GLN 1 HB2 GLN 1 -2.376 -7.518 -11.646 6 HB3 GLN 1 HB3 GLN 1 -1.222 -8.788 -11.240 7 HG2 GLN 1 HG2 GLN 1 -2.838 -10.502 -11.922 8 HG3 GLN 1 HG3 GLN 1 -4.034 -9.257 -12.274 9 HE21 GLN 1 HE21 GLN 1 -1.020 -10.714 -13.319 10 HE22 GLN 1 HE22 GLN 1 -1.041 -10.050 -14.918 11 H CYS 2 H CYS 2 -2.366 -9.000 -7.383 12 HA CYS 2 HA CYS 2 -1.387 -8.038 -5.606 13 HB2 CYS 2 HB2 CYS 2 0.113 -6.334 -7.615 14 HB3 CYS 2 HB3 CYS 2 0.529 -6.515 -5.918 15 H TYR 3 H TYR 3 -1.777 -6.284 -4.153 16 HA TYR 3 HA TYR 3 -3.999 -4.624 -4.741 17 HB2 TYR 3 HB2 TYR 3 -3.248 -5.448 -2.408 18 HB3 TYR 3 HB3 TYR 3 -2.077 -4.147 -2.432 19 HD1 TYR 3 HD2 TYR 3 -5.735 -4.453 -3.287 20 HD2 TYR 3 HD1 TYR 3 -2.775 -2.298 -1.061 21 HE1 TYR 3 HE2 TYR 3 -7.471 -2.955 -2.416 22 HE2 TYR 3 HE1 TYR 3 -4.527 -0.819 -0.191 23 HH TYR 3 HH TYR 3 -7.859 -1.463 -0.540 24 H THR 4 H THR 4 -3.773 -3.110 -6.295 25 HA THR 4 HA THR 4 -1.482 -1.269 -6.275 26 HB THR 4 HB THR 4 -3.752 -1.423 -8.312 27 HG1 THR 4 HG1 THR 4 -1.999 -3.244 -7.934 28 HG21 THR 4 HG21 THR 4 -1.011 -0.081 -8.441 29 HG22 THR 4 HG22 THR 4 -2.554 0.765 -8.308 30 HG23 THR 4 HG23 THR 4 -2.175 -0.157 -9.765 31 H PHE 5 H PHE 5 -1.643 0.709 -5.398 32 HA PHE 5 HA PHE 5 -4.218 2.033 -4.930 33 HB2 PHE 5 HB2 PHE 5 -3.558 2.422 -2.478 34 HB3 PHE 5 HB3 PHE 5 -4.068 0.790 -2.873 35 HD1 PHE 5 HD2 PHE 5 -2.250 -0.978 -3.245 36 HD2 PHE 5 HD1 PHE 5 -1.414 2.767 -1.387 37 HE1 PHE 5 HE2 PHE 5 -0.244 -1.943 -2.239 38 HE2 PHE 5 HE1 PHE 5 0.609 1.800 -0.376 39 HZ PHE 5 HZ PHE 5 1.196 -0.567 -0.794 40 H ARG 6 H ARG 6 -4.006 4.270 -4.924 41 HA ARG 6 HA ARG 6 -1.314 5.296 -5.637 42 HB2 ARG 6 HB2 ARG 6 -2.985 5.173 -7.521 43 HB3 ARG 6 HB3 ARG 6 -4.026 6.282 -6.637 44 HG2 ARG 6 HG2 ARG 6 -2.324 8.045 -6.794 45 HG3 ARG 6 HG3 ARG 6 -1.217 6.925 -7.587 46 HD2 ARG 6 HD2 ARG 6 -2.854 6.722 -9.475 47 HD3 ARG 6 HD3 ARG 6 -3.848 7.953 -8.688 48 HE ARG 6 HE ARG 6 -1.195 8.881 -9.036 49 HH11 ARG 6 HH11 ARG 6 -4.140 8.325 -10.884 50 HH12 ARG 6 HH12 ARG 6 -3.758 9.521 -12.081 51 HH21 ARG 6 HH21 ARG 6 -0.675 10.394 -10.624 52 HH22 ARG 6 HH22 ARG 6 -1.779 10.700 -11.927 53 H SER 7 H SER 7 -0.507 6.663 -4.169 54 HA SER 7 HA SER 7 -2.218 7.990 -2.209 55 HB2 SER 7 HB2 SER 7 -0.097 6.959 -1.443 56 HB3 SER 7 HB3 SER 7 0.822 8.005 -2.522 57 HG SER 7 HG SER 7 0.330 8.537 -0.092 58 H GLU 8 H GLU 8 -2.394 10.171 -1.965 59 HA GLU 8 HA GLU 8 -2.516 11.725 -4.378 60 HB2 GLU 8 HB2 GLU 8 -3.038 12.624 -1.499 61 HB3 GLU 8 HB3 GLU 8 -3.487 13.506 -2.954 62 HG2 GLU 8 HG2 GLU 8 -5.487 12.520 -2.179 63 HG3 GLU 8 HG3 GLU 8 -4.989 11.534 -3.548 64 H CYS 9 H CYS 9 -0.422 11.541 -1.588 65 HA CYS 9 HA CYS 9 0.807 14.140 -1.919 66 HB2 CYS 9 HB2 CYS 9 1.654 11.853 -0.106 67 HB3 CYS 9 HB3 CYS 9 2.049 13.558 0.079 68 H THR 10 H THR 10 1.161 11.773 -3.960 69 HA THR 10 HA THR 10 3.962 12.308 -4.563 70 HB THR 10 HB THR 10 4.141 10.334 -3.119 71 HG1 THR 10 HG1 THR 10 5.339 10.544 -5.263 72 HG21 THR 10 HG21 THR 10 2.304 8.918 -5.079 73 HG22 THR 10 HG22 THR 10 1.858 9.434 -3.450 74 HG23 THR 10 HG23 THR 10 3.103 8.206 -3.674 75 H ASN 11 H ASN 11 0.764 11.303 -5.517 76 HA ASN 11 HA ASN 11 -0.318 11.176 -7.503 77 HB2 ASN 11 HB2 ASN 11 0.788 13.295 -8.068 78 HB3 ASN 11 HB3 ASN 11 2.238 12.458 -8.577 79 HD21 ASN 11 HD21 ASN 11 -1.035 13.306 -9.434 80 HD22 ASN 11 HD22 ASN 11 -0.895 12.950 -11.119 81 H LYS 12 H LYS 12 1.792 9.098 -6.530 82 HA LYS 12 HA LYS 12 2.125 7.502 -9.011 83 HB2 LYS 12 HB2 LYS 12 3.777 7.460 -6.438 84 HB3 LYS 12 HB3 LYS 12 4.041 6.416 -7.827 85 HG2 LYS 12 HG2 LYS 12 4.309 9.431 -7.829 86 HG3 LYS 12 HG3 LYS 12 5.653 8.292 -7.710 87 HD2 LYS 12 HD2 LYS 12 5.080 7.415 -9.975 88 HD3 LYS 12 HD3 LYS 12 3.759 8.583 -10.080 89 HE2 LYS 12 HE2 LYS 12 5.354 10.439 -9.990 90 HE3 LYS 12 HE3 LYS 12 6.693 9.304 -9.782 91 HZ1 LYS 12 HZ1 LYS 12 4.936 9.484 -12.175 92 HZ2 LYS 12 HZ2 LYS 12 6.207 8.389 -11.976 93 HZ3 LYS 12 HZ3 LYS 12 6.527 10.044 -12.070 94 H GLU 13 H GLU 13 1.685 5.287 -8.915 95 HA GLU 13 HA GLU 13 -0.063 4.375 -6.704 96 HB2 GLU 13 HB2 GLU 13 -1.036 2.739 -8.215 97 HB3 GLU 13 HB3 GLU 13 -1.134 4.327 -8.946 98 HG2 GLU 13 HG2 GLU 13 0.884 2.191 -9.689 99 HG3 GLU 13 HG3 GLU 13 -0.604 2.521 -10.566 100 H PHE 14 H PHE 14 0.180 2.210 -5.946 101 HA PHE 14 HA PHE 14 2.954 1.175 -6.019 102 HB2 PHE 14 HB2 PHE 14 1.236 1.486 -3.505 103 HB3 PHE 14 HB3 PHE 14 2.915 0.955 -3.584 104 HD1 PHE 14 HD2 PHE 14 4.704 2.610 -4.314 105 HD2 PHE 14 HD1 PHE 14 0.701 3.808 -3.367 106 HE1 PHE 14 HE2 PHE 14 5.447 4.936 -4.053 107 HE2 PHE 14 HE1 PHE 14 1.461 6.126 -3.123 108 HZ PHE 14 HZ PHE 14 3.823 6.688 -3.459 109 H THR 15 H THR 15 3.036 -1.014 -6.095 110 HA THR 15 HA THR 15 0.498 -2.537 -6.047 111 HB THR 15 HB THR 15 2.801 -2.817 -8.031 112 HG1 THR 15 HG1 THR 15 0.323 -1.431 -8.179 113 HG21 THR 15 HG21 THR 15 0.029 -4.054 -8.056 114 HG22 THR 15 HG22 THR 15 1.544 -4.914 -7.766 115 HG23 THR 15 HG23 THR 15 1.224 -4.196 -9.347 116 H VAL 16 H VAL 16 0.643 -4.004 -4.435 117 HA VAL 16 HA VAL 16 3.255 -5.258 -3.781 118 HB VAL 16 HB VAL 16 2.666 -3.452 -2.134 119 HG11 VAL 16 HG11 VAL 16 0.301 -5.186 -1.362 120 HG12 VAL 16 HG12 VAL 16 0.221 -3.610 -2.148 121 HG13 VAL 16 HG13 VAL 16 0.852 -3.742 -0.505 122 HG21 VAL 16 HG21 VAL 16 2.681 -6.244 -0.923 123 HG22 VAL 16 HG22 VAL 16 3.155 -4.750 -0.107 124 HG23 VAL 16 HG23 VAL 16 4.103 -5.351 -1.466 125 H CYS 17 H CYS 17 3.182 -7.432 -3.486 126 HA CYS 17 HA CYS 17 0.564 -8.808 -3.326 127 HB2 CYS 17 HB2 CYS 17 2.923 -9.354 -5.069 128 HB3 CYS 17 HB3 CYS 17 2.242 -10.775 -4.289 129 H ARG 18 H ARG 18 0.265 -10.041 -1.620 130 HA ARG 18 HA ARG 18 2.474 -10.906 0.114 131 HB2 ARG 18 HB2 ARG 18 0.087 -9.203 0.968 132 HB3 ARG 18 HB3 ARG 18 1.095 -10.069 2.108 133 HG2 ARG 18 HG2 ARG 18 2.040 -7.830 0.278 134 HG3 ARG 18 HG3 ARG 18 1.678 -7.664 1.996 135 HD2 ARG 18 HD2 ARG 18 3.509 -9.250 2.527 136 HD3 ARG 18 HD3 ARG 18 3.871 -9.407 0.808 137 HE ARG 18 HE ARG 18 4.064 -6.706 1.385 138 HH11 ARG 18 HH11 ARG 18 5.711 -9.648 2.473 139 HH12 ARG 18 HH12 ARG 18 7.200 -8.817 2.804 140 HH21 ARG 18 HH21 ARG 18 6.045 -5.669 1.828 141 HH22 ARG 18 HH22 ARG 18 7.389 -6.583 2.445 142 HA PRO 19 HA PRO 19 0.305 -14.782 0.280 143 HB2 PRO 19 HB2 PRO 19 0.435 -15.539 2.964 144 HB3 PRO 19 HB3 PRO 19 1.793 -15.642 1.829 145 HG2 PRO 19 HG2 PRO 19 1.185 -13.472 3.818 146 HG3 PRO 19 HG3 PRO 19 2.735 -14.277 3.479 147 HD2 PRO 19 HD2 PRO 19 2.233 -11.860 2.462 148 HD3 PRO 19 HD3 PRO 19 3.062 -13.088 1.472 149 H ASN 20 H ASN 20 -0.798 -12.467 2.706 150 HA ASN 20 HA ASN 20 -3.607 -13.274 2.309 151 HB2 ASN 20 HB2 ASN 20 -4.030 -13.158 4.778 152 HB3 ASN 20 HB3 ASN 20 -2.918 -14.457 4.367 153 HD21 ASN 20 HD21 ASN 20 -0.890 -14.407 5.223 154 HD22 ASN 20 HD22 ASN 20 -0.307 -13.194 6.295 155 HA PRO 21 HA PRO 21 -4.294 -8.899 2.030 156 HB2 PRO 21 HB2 PRO 21 -6.819 -8.524 3.035 157 HB3 PRO 21 HB3 PRO 21 -6.512 -9.392 1.515 158 HG2 PRO 21 HG2 PRO 21 -6.974 -10.536 4.259 159 HG3 PRO 21 HG3 PRO 21 -7.715 -11.006 2.709 160 HD2 PRO 21 HD2 PRO 21 -5.641 -12.398 3.742 161 HD3 PRO 21 HD3 PRO 21 -5.808 -12.159 1.988 162 H GLU 22 H GLU 22 -4.120 -10.272 5.193 163 HA GLU 22 HA GLU 22 -4.423 -7.889 6.764 164 HB2 GLU 22 HB2 GLU 22 -4.579 -10.314 7.621 165 HB3 GLU 22 HB3 GLU 22 -2.833 -10.377 7.522 166 HG2 GLU 22 HG2 GLU 22 -2.794 -8.355 9.104 167 HG3 GLU 22 HG3 GLU 22 -4.515 -8.648 9.362 168 H GLU 23 H GLU 23 -1.642 -9.697 5.470 169 HA GLU 23 HA GLU 23 0.436 -7.979 6.298 170 HB2 GLU 23 HB2 GLU 23 0.304 -9.709 3.793 171 HB3 GLU 23 HB3 GLU 23 1.769 -8.997 4.453 172 HG2 GLU 23 HG2 GLU 23 0.075 -11.167 5.700 173 HG3 GLU 23 HG3 GLU 23 1.687 -11.337 5.009 174 H VAL 24 H VAL 24 -1.704 -7.976 3.510 175 HA VAL 24 HA VAL 24 -0.521 -5.877 2.047 176 HB VAL 24 HB VAL 24 -3.437 -6.763 2.057 177 HG11 VAL 24 HG11 VAL 24 -1.895 -5.151 -0.007 178 HG12 VAL 24 HG12 VAL 24 -3.189 -4.555 1.037 179 HG13 VAL 24 HG13 VAL 24 -3.544 -5.758 -0.202 180 HG21 VAL 24 HG21 VAL 24 -2.865 -8.151 0.105 181 HG22 VAL 24 HG22 VAL 24 -1.919 -8.633 1.518 182 HG23 VAL 24 HG23 VAL 24 -1.168 -7.666 0.243 183 H GLU 25 H GLU 25 -2.947 -5.910 4.686 184 HA GLU 25 HA GLU 25 -3.748 -3.220 4.597 185 HB2 GLU 25 HB2 GLU 25 -3.452 -5.035 7.035 186 HB3 GLU 25 HB3 GLU 25 -4.203 -3.442 7.087 187 HG2 GLU 25 HG2 GLU 25 -5.179 -5.888 5.606 188 HG3 GLU 25 HG3 GLU 25 -5.925 -5.108 6.998 189 H LYS 26 H LYS 26 -1.068 -4.770 6.291 190 HA LYS 26 HA LYS 26 -0.010 -2.580 7.683 191 HB2 LYS 26 HB2 LYS 26 1.478 -5.014 6.589 192 HB3 LYS 26 HB3 LYS 26 2.010 -3.989 7.923 193 HG2 LYS 26 HG2 LYS 26 0.175 -4.710 9.315 194 HG3 LYS 26 HG3 LYS 26 -0.579 -5.564 7.968 195 HD2 LYS 26 HD2 LYS 26 1.417 -7.119 7.929 196 HD3 LYS 26 HD3 LYS 26 2.007 -6.316 9.391 197 HE2 LYS 26 HE2 LYS 26 -0.081 -6.969 10.571 198 HE3 LYS 26 HE3 LYS 26 -0.641 -7.787 9.109 199 HZ1 LYS 26 HZ1 LYS 26 0.273 -9.381 10.595 200 HZ2 LYS 26 HZ2 LYS 26 1.720 -8.514 10.755 201 HZ3 LYS 26 HZ3 LYS 26 1.328 -9.239 9.282 202 H GLU 27 H GLU 27 0.712 -3.824 4.455 203 HA GLU 27 HA GLU 27 2.800 -2.047 3.757 204 HB2 GLU 27 HB2 GLU 27 0.922 -3.752 2.066 205 HB3 GLU 27 HB3 GLU 27 2.320 -2.904 1.419 206 HG2 GLU 27 HG2 GLU 27 2.432 -5.060 3.539 207 HG3 GLU 27 HG3 GLU 27 2.729 -5.317 1.822 208 H ALA 28 H ALA 28 -0.690 -2.058 3.131 209 HA ALA 28 HA ALA 28 -0.726 0.021 1.210 210 HB1 ALA 28 HB1 ALA 28 -2.995 -1.106 2.888 211 HB2 ALA 28 HB2 ALA 28 -2.455 -1.715 1.322 212 HB3 ALA 28 HB3 ALA 28 -3.172 -0.109 1.429 213 H ARG 29 H ARG 29 -1.648 -0.068 4.643 214 HA ARG 29 HA ARG 29 -2.442 2.617 4.874 215 HB2 ARG 29 HB2 ARG 29 -2.457 2.278 7.291 216 HB3 ARG 29 HB3 ARG 29 -3.127 0.869 6.488 217 HG2 ARG 29 HG2 ARG 29 -0.930 -0.301 6.828 218 HG3 ARG 29 HG3 ARG 29 -0.373 1.092 7.751 219 HD2 ARG 29 HD2 ARG 29 -2.052 0.716 9.455 220 HD3 ARG 29 HD3 ARG 29 -2.832 -0.542 8.484 221 HE ARG 29 HE ARG 29 -0.088 -1.164 9.024 222 HH11 ARG 29 HH11 ARG 29 -3.276 -1.239 10.538 223 HH12 ARG 29 HH12 ARG 29 -2.846 -2.525 11.622 224 HH21 ARG 29 HH21 ARG 29 0.430 -2.861 10.453 225 HH22 ARG 29 HH22 ARG 29 -0.768 -3.435 11.573 226 H ARG 30 H ARG 30 0.710 1.052 5.431 227 HA ARG 30 HA ARG 30 1.876 3.376 6.648 228 HB2 ARG 30 HB2 ARG 30 3.119 0.764 5.727 229 HB3 ARG 30 HB3 ARG 30 4.043 2.056 6.485 230 HG2 ARG 30 HG2 ARG 30 1.809 0.436 7.736 231 HG3 ARG 30 HG3 ARG 30 3.523 0.381 8.140 232 HD2 ARG 30 HD2 ARG 30 2.611 1.645 9.881 233 HD3 ARG 30 HD3 ARG 30 3.223 2.891 8.794 234 HE ARG 30 HE ARG 30 0.617 2.548 8.032 235 HH11 ARG 30 HH11 ARG 30 2.129 3.341 11.112 236 HH12 ARG 30 HH12 ARG 30 0.766 4.253 11.683 237 HH21 ARG 30 HH21 ARG 30 -1.149 3.778 8.783 238 HH22 ARG 30 HH22 ARG 30 -1.086 4.497 10.363 239 H THR 31 H THR 31 2.031 1.921 3.390 240 HA THR 31 HA THR 31 4.009 3.693 2.352 241 HB THR 31 HB THR 31 1.786 2.271 0.808 242 HG1 THR 31 HG1 THR 31 3.317 0.981 2.125 243 HG21 THR 31 HG21 THR 31 3.314 2.428 -1.133 244 HG22 THR 31 HG22 THR 31 4.456 3.365 -0.166 245 HG23 THR 31 HG23 THR 31 2.871 4.038 -0.553 246 H LYS 32 H LYS 32 0.471 3.908 2.529 247 HA LYS 32 HA LYS 32 0.065 6.301 1.093 248 HB2 LYS 32 HB2 LYS 32 -1.552 4.920 3.265 249 HB3 LYS 32 HB3 LYS 32 -2.101 6.416 2.523 250 HG2 LYS 32 HG2 LYS 32 -1.582 3.807 1.042 251 HG3 LYS 32 HG3 LYS 32 -3.167 4.440 1.507 252 HD2 LYS 32 HD2 LYS 32 -2.673 6.494 0.096 253 HD3 LYS 32 HD3 LYS 32 -1.207 5.683 -0.470 254 HE2 LYS 32 HE2 LYS 32 -3.070 5.469 -2.075 255 HE3 LYS 32 HE3 LYS 32 -2.557 3.897 -1.460 256 HZ1 LYS 32 HZ1 LYS 32 -4.440 3.818 -0.033 257 HZ2 LYS 32 HZ2 LYS 32 -4.997 4.215 -1.573 258 HZ3 LYS 32 HZ3 LYS 32 -4.870 5.409 -0.383 259 H GLU 33 H GLU 33 0.619 5.727 4.595 260 HA GLU 33 HA GLU 33 0.586 8.440 5.411 261 HB2 GLU 33 HB2 GLU 33 2.097 6.128 6.711 262 HB3 GLU 33 HB3 GLU 33 1.800 7.693 7.454 263 HG2 GLU 33 HG2 GLU 33 -0.174 5.504 6.850 264 HG3 GLU 33 HG3 GLU 33 0.260 6.174 8.414 265 H GLU 34 H GLU 34 3.122 6.337 4.184 266 HA GLU 34 HA GLU 34 5.400 7.727 5.062 267 HB2 GLU 34 HB2 GLU 34 4.897 5.287 3.783 268 HB3 GLU 34 HB3 GLU 34 5.753 6.171 2.538 269 HG2 GLU 34 HG2 GLU 34 6.767 5.638 5.343 270 HG3 GLU 34 HG3 GLU 34 7.234 4.744 3.899 271 H GLU 35 H GLU 35 3.622 7.843 2.002 272 HA GLU 35 HA GLU 35 5.247 9.770 0.684 273 HB2 GLU 35 HB2 GLU 35 2.299 9.174 0.200 274 HB3 GLU 35 HB3 GLU 35 3.409 9.945 -0.927 275 HG2 GLU 35 HG2 GLU 35 3.389 7.064 -0.024 276 HG3 GLU 35 HG3 GLU 35 3.090 7.693 -1.642 277 H CYS 36 H CYS 36 2.550 10.009 2.902 278 HA CYS 36 HA CYS 36 2.213 12.899 2.482 279 HB2 CYS 36 HB2 CYS 36 0.589 10.877 4.075 280 HB3 CYS 36 HB3 CYS 36 0.177 12.584 3.904 281 H ARG 37 H ARG 37 4.388 11.240 4.188 282 HA ARG 37 HA ARG 37 4.549 13.300 6.291 283 HB2 ARG 37 HB2 ARG 37 4.976 11.766 8.066 284 HB3 ARG 37 HB3 ARG 37 3.543 11.147 7.257 285 HG2 ARG 37 HG2 ARG 37 4.845 9.417 6.150 286 HG3 ARG 37 HG3 ARG 37 6.351 10.082 6.784 287 HD2 ARG 37 HD2 ARG 37 5.628 9.537 9.079 288 HD3 ARG 37 HD3 ARG 37 4.110 8.893 8.452 289 HE ARG 37 HE ARG 37 5.178 6.977 7.907 290 HH11 ARG 37 HH11 ARG 37 7.707 9.389 8.371 291 HH12 ARG 37 HH12 ARG 37 8.980 8.223 8.240 292 HH21 ARG 37 HH21 ARG 37 6.859 5.491 7.754 293 HH22 ARG 37 HH22 ARG 37 8.504 6.023 7.893 294 H LYS 38 H LYS 38 6.758 12.705 7.546 295 HA LYS 38 HA LYS 38 8.900 12.763 5.521 296 HB2 LYS 38 HB2 LYS 38 8.867 13.938 8.343 297 HB3 LYS 38 HB3 LYS 38 10.160 14.118 7.159 298 HG2 LYS 38 HG2 LYS 38 8.681 15.425 5.699 299 HG3 LYS 38 HG3 LYS 38 7.342 15.199 6.828 300 HD2 LYS 38 HD2 LYS 38 8.597 16.472 8.556 301 HD3 LYS 38 HD3 LYS 38 9.926 16.704 7.416 302 HE2 LYS 38 HE2 LYS 38 8.397 17.958 5.916 303 HE3 LYS 38 HE3 LYS 38 7.092 17.750 7.091 304 HZ1 LYS 38 HZ1 LYS 38 8.216 19.915 7.242 305 HZ2 LYS 38 HZ2 LYS 38 9.657 19.137 7.654 306 HZ3 LYS 38 HZ3 LYS 38 8.318 19.036 8.679 Start of MODEL 19 1 H1 GLN 1 H1 GLN 1 -6.452 -8.831 -7.930 2 H2 GLN 1 H2 GLN 1 -6.462 -10.331 -8.706 3 H3 GLN 1 H3 GLN 1 -5.636 -9.018 -9.393 4 HA GLN 1 HA GLN 1 -4.966 -10.253 -6.791 5 HB2 GLN 1 HB2 GLN 1 -4.585 -11.753 -8.812 6 HB3 GLN 1 HB3 GLN 1 -3.490 -10.534 -9.449 7 HG2 GLN 1 HG2 GLN 1 -2.137 -10.826 -7.295 8 HG3 GLN 1 HG3 GLN 1 -3.143 -12.241 -6.978 9 HE21 GLN 1 HE21 GLN 1 -2.951 -14.061 -8.371 10 HE22 GLN 1 HE22 GLN 1 -1.540 -14.290 -9.346 11 H CYS 2 H CYS 2 -3.087 -9.355 -5.825 12 HA CYS 2 HA CYS 2 -1.551 -7.851 -5.189 13 HB2 CYS 2 HB2 CYS 2 -1.331 -7.024 -8.106 14 HB3 CYS 2 HB3 CYS 2 -0.122 -6.824 -6.842 15 H TYR 3 H TYR 3 -2.467 -6.351 -3.911 16 HA TYR 3 HA TYR 3 -4.635 -4.690 -4.618 17 HB2 TYR 3 HB2 TYR 3 -4.076 -5.503 -2.320 18 HB3 TYR 3 HB3 TYR 3 -2.727 -4.394 -2.274 19 HD1 TYR 3 HD2 TYR 3 -6.372 -4.058 -3.236 20 HD2 TYR 3 HD1 TYR 3 -3.163 -2.615 -0.813 21 HE1 TYR 3 HE2 TYR 3 -7.839 -2.315 -2.321 22 HE2 TYR 3 HE1 TYR 3 -4.629 -0.901 0.102 23 HH TYR 3 HH TYR 3 -7.929 -0.901 -0.163 24 H THR 4 H THR 4 -4.590 -2.954 -5.904 25 HA THR 4 HA THR 4 -2.218 -1.231 -6.105 26 HB THR 4 HB THR 4 -4.737 -1.236 -7.830 27 HG1 THR 4 HG1 THR 4 -2.198 -2.339 -8.503 28 HG21 THR 4 HG21 THR 4 -3.495 0.903 -7.991 29 HG22 THR 4 HG22 THR 4 -3.348 -0.019 -9.487 30 HG23 THR 4 HG23 THR 4 -2.002 0.021 -8.346 31 H PHE 5 H PHE 5 -2.179 0.771 -5.327 32 HA PHE 5 HA PHE 5 -4.508 2.370 -4.651 33 HB2 PHE 5 HB2 PHE 5 -3.599 2.752 -2.267 34 HB3 PHE 5 HB3 PHE 5 -4.351 1.190 -2.544 35 HD1 PHE 5 HD2 PHE 5 -2.889 -0.830 -2.908 36 HD2 PHE 5 HD1 PHE 5 -1.281 2.870 -1.510 37 HE1 PHE 5 HE2 PHE 5 -0.913 -2.016 -2.107 38 HE2 PHE 5 HE1 PHE 5 0.723 1.675 -0.706 39 HZ PHE 5 HZ PHE 5 0.908 -0.771 -1.002 40 H ARG 6 H ARG 6 -3.988 4.580 -4.727 41 HA ARG 6 HA ARG 6 -1.194 5.244 -5.526 42 HB2 ARG 6 HB2 ARG 6 -2.729 5.221 -7.466 43 HB3 ARG 6 HB3 ARG 6 -3.805 6.355 -6.658 44 HG2 ARG 6 HG2 ARG 6 -2.030 8.082 -6.730 45 HG3 ARG 6 HG3 ARG 6 -0.953 6.938 -7.535 46 HD2 ARG 6 HD2 ARG 6 -2.484 6.826 -9.462 47 HD3 ARG 6 HD3 ARG 6 -3.604 7.933 -8.654 48 HE ARG 6 HE ARG 6 -0.834 8.741 -9.329 49 HH11 ARG 6 HH11 ARG 6 -4.306 9.324 -9.592 50 HH12 ARG 6 HH12 ARG 6 -4.093 10.867 -10.359 51 HH21 ARG 6 HH21 ARG 6 -0.576 10.760 -10.320 52 HH22 ARG 6 HH22 ARG 6 -1.981 11.680 -10.769 53 H SER 7 H SER 7 -0.255 6.709 -4.231 54 HA SER 7 HA SER 7 -1.858 8.425 -2.473 55 HB2 SER 7 HB2 SER 7 0.042 7.348 -1.398 56 HB3 SER 7 HB3 SER 7 1.149 7.916 -2.652 57 HG SER 7 HG SER 7 0.233 9.192 -0.408 58 H GLU 8 H GLU 8 -2.379 10.429 -3.060 59 HA GLU 8 HA GLU 8 -1.610 11.743 -5.451 60 HB2 GLU 8 HB2 GLU 8 -3.737 12.201 -4.268 61 HB3 GLU 8 HB3 GLU 8 -2.859 12.856 -2.891 62 HG2 GLU 8 HG2 GLU 8 -1.961 14.645 -4.497 63 HG3 GLU 8 HG3 GLU 8 -3.147 14.060 -5.662 64 H CYS 9 H CYS 9 -0.377 11.810 -2.173 65 HA CYS 9 HA CYS 9 1.051 14.216 -2.122 66 HB2 CYS 9 HB2 CYS 9 1.552 11.642 -0.590 67 HB3 CYS 9 HB3 CYS 9 2.284 13.192 -0.196 68 H THR 10 H THR 10 1.886 11.219 -3.664 69 HA THR 10 HA THR 10 4.716 12.024 -4.018 70 HB THR 10 HB THR 10 4.502 9.998 -2.588 71 HG1 THR 10 HG1 THR 10 5.910 8.690 -3.809 72 HG21 THR 10 HG21 THR 10 3.205 8.688 -4.996 73 HG22 THR 10 HG22 THR 10 2.365 9.130 -3.509 74 HG23 THR 10 HG23 THR 10 3.629 7.897 -3.478 75 H ASN 11 H ASN 11 1.701 11.352 -5.442 76 HA ASN 11 HA ASN 11 0.855 11.314 -7.525 77 HB2 ASN 11 HB2 ASN 11 2.427 12.961 -8.287 78 HB3 ASN 11 HB3 ASN 11 3.727 11.781 -8.364 79 HD21 ASN 11 HD21 ASN 11 4.258 11.900 -10.511 80 HD22 ASN 11 HD22 ASN 11 3.164 11.613 -11.819 81 H LYS 12 H LYS 12 3.436 9.111 -6.692 82 HA LYS 12 HA LYS 12 3.140 7.267 -8.849 83 HB2 LYS 12 HB2 LYS 12 4.472 6.939 -6.125 84 HB3 LYS 12 HB3 LYS 12 4.556 5.752 -7.421 85 HG2 LYS 12 HG2 LYS 12 5.690 7.482 -8.849 86 HG3 LYS 12 HG3 LYS 12 5.726 8.551 -7.443 87 HD2 LYS 12 HD2 LYS 12 7.063 6.841 -6.210 88 HD3 LYS 12 HD3 LYS 12 7.053 5.809 -7.639 89 HE2 LYS 12 HE2 LYS 12 9.176 6.977 -7.473 90 HE3 LYS 12 HE3 LYS 12 8.298 7.578 -8.878 91 HZ1 LYS 12 HZ1 LYS 12 7.595 9.484 -7.527 92 HZ2 LYS 12 HZ2 LYS 12 9.276 9.387 -7.673 93 HZ3 LYS 12 HZ3 LYS 12 8.527 8.918 -6.236 94 H GLU 13 H GLU 13 1.940 5.460 -9.003 95 HA GLU 13 HA GLU 13 0.140 4.678 -6.816 96 HB2 GLU 13 HB2 GLU 13 -0.988 3.253 -8.501 97 HB3 GLU 13 HB3 GLU 13 -0.924 4.940 -8.993 98 HG2 GLU 13 HG2 GLU 13 1.028 4.371 -10.471 99 HG3 GLU 13 HG3 GLU 13 0.773 2.673 -10.067 100 H PHE 14 H PHE 14 0.029 2.516 -6.144 101 HA PHE 14 HA PHE 14 2.590 1.028 -6.258 102 HB2 PHE 14 HB2 PHE 14 0.855 1.341 -3.765 103 HB3 PHE 14 HB3 PHE 14 2.484 0.680 -3.867 104 HD1 PHE 14 HD2 PHE 14 4.392 2.305 -4.541 105 HD2 PHE 14 HD1 PHE 14 0.530 3.627 -3.261 106 HE1 PHE 14 HE2 PHE 14 5.312 4.527 -4.020 107 HE2 PHE 14 HE1 PHE 14 1.461 5.841 -2.755 108 HZ PHE 14 HZ PHE 14 3.844 6.291 -3.126 109 H THR 15 H THR 15 2.374 -1.223 -6.116 110 HA THR 15 HA THR 15 -0.305 -2.434 -5.949 111 HB THR 15 HB THR 15 1.699 -2.983 -8.196 112 HG1 THR 15 HG1 THR 15 0.434 -0.998 -8.388 113 HG21 THR 15 HG21 THR 15 0.425 -5.019 -7.599 114 HG22 THR 15 HG22 THR 15 -0.042 -4.414 -9.187 115 HG23 THR 15 HG23 THR 15 -1.091 -4.133 -7.797 116 H VAL 16 H VAL 16 -0.159 -4.047 -4.404 117 HA VAL 16 HA VAL 16 2.491 -5.267 -3.894 118 HB VAL 16 HB VAL 16 2.005 -3.453 -2.264 119 HG11 VAL 16 HG11 VAL 16 -0.256 -5.186 -1.213 120 HG12 VAL 16 HG12 VAL 16 -0.439 -3.646 -2.052 121 HG13 VAL 16 HG13 VAL 16 0.349 -3.700 -0.474 122 HG21 VAL 16 HG21 VAL 16 2.166 -6.216 -1.006 123 HG22 VAL 16 HG22 VAL 16 2.667 -4.701 -0.248 124 HG23 VAL 16 HG23 VAL 16 3.520 -5.298 -1.672 125 H CYS 17 H CYS 17 2.466 -7.371 -4.101 126 HA CYS 17 HA CYS 17 0.011 -8.949 -3.538 127 HB2 CYS 17 HB2 CYS 17 1.885 -9.019 -5.761 128 HB3 CYS 17 HB3 CYS 17 1.919 -10.569 -4.942 129 H ARG 18 H ARG 18 0.272 -9.234 -1.345 130 HA ARG 18 HA ARG 18 2.696 -10.653 -0.411 131 HB2 ARG 18 HB2 ARG 18 1.024 -8.578 0.802 132 HB3 ARG 18 HB3 ARG 18 1.013 -9.999 1.825 133 HG2 ARG 18 HG2 ARG 18 2.762 -8.618 2.636 134 HG3 ARG 18 HG3 ARG 18 3.554 -9.942 1.791 135 HD2 ARG 18 HD2 ARG 18 3.087 -7.185 0.615 136 HD3 ARG 18 HD3 ARG 18 4.579 -7.689 1.406 137 HE ARG 18 HE ARG 18 3.907 -9.461 -0.716 138 HH11 ARG 18 HH11 ARG 18 5.371 -6.296 -0.142 139 HH12 ARG 18 HH12 ARG 18 6.255 -6.322 -1.634 140 HH21 ARG 18 HH21 ARG 18 4.984 -9.401 -2.700 141 HH22 ARG 18 HH22 ARG 18 6.038 -8.071 -3.076 142 HA PRO 19 HA PRO 19 0.571 -14.536 -0.248 143 HB2 PRO 19 HB2 PRO 19 1.513 -15.724 2.059 144 HB3 PRO 19 HB3 PRO 19 2.488 -15.521 0.592 145 HG2 PRO 19 HG2 PRO 19 2.415 -13.782 3.045 146 HG3 PRO 19 HG3 PRO 19 3.826 -14.425 2.171 147 HD2 PRO 19 HD2 PRO 19 3.031 -11.905 1.769 148 HD3 PRO 19 HD3 PRO 19 3.597 -12.895 0.404 149 H ASN 20 H ASN 20 -0.232 -12.201 2.064 150 HA ASN 20 HA ASN 20 -2.818 -13.397 2.554 151 HB2 ASN 20 HB2 ASN 20 -2.640 -13.141 5.067 152 HB3 ASN 20 HB3 ASN 20 -1.631 -14.426 4.406 153 HD21 ASN 20 HD21 ASN 20 0.536 -14.308 4.740 154 HD22 ASN 20 HD22 ASN 20 1.348 -13.031 5.553 155 HA PRO 21 HA PRO 21 -4.097 -9.035 2.515 156 HB2 PRO 21 HB2 PRO 21 -6.298 -9.881 4.384 157 HB3 PRO 21 HB3 PRO 21 -6.401 -9.115 2.785 158 HG2 PRO 21 HG2 PRO 21 -7.041 -11.670 3.071 159 HG3 PRO 21 HG3 PRO 21 -6.133 -11.126 1.638 160 HD2 PRO 21 HD2 PRO 21 -5.083 -12.481 4.129 161 HD3 PRO 21 HD3 PRO 21 -4.718 -12.825 2.420 162 H GLU 22 H GLU 22 -3.610 -10.791 5.496 163 HA GLU 22 HA GLU 22 -3.797 -8.863 7.489 164 HB2 GLU 22 HB2 GLU 22 -2.047 -11.326 7.177 165 HB3 GLU 22 HB3 GLU 22 -1.969 -10.369 8.634 166 HG2 GLU 22 HG2 GLU 22 -3.397 -12.299 8.979 167 HG3 GLU 22 HG3 GLU 22 -4.363 -10.830 9.057 168 H GLU 23 H GLU 23 -1.022 -9.663 5.425 169 HA GLU 23 HA GLU 23 0.709 -7.605 6.486 170 HB2 GLU 23 HB2 GLU 23 0.961 -9.481 4.107 171 HB3 GLU 23 HB3 GLU 23 2.178 -8.281 4.513 172 HG2 GLU 23 HG2 GLU 23 2.491 -9.385 6.722 173 HG3 GLU 23 HG3 GLU 23 1.337 -10.626 6.236 174 H VAL 24 H VAL 24 -1.319 -8.038 3.567 175 HA VAL 24 HA VAL 24 -0.389 -5.893 2.032 176 HB VAL 24 HB VAL 24 -3.175 -7.150 2.088 177 HG11 VAL 24 HG11 VAL 24 -3.436 -4.881 1.213 178 HG12 VAL 24 HG12 VAL 24 -3.590 -6.038 -0.108 179 HG13 VAL 24 HG13 VAL 24 -2.093 -5.117 0.091 180 HG21 VAL 24 HG21 VAL 24 -1.365 -8.646 1.304 181 HG22 VAL 24 HG22 VAL 24 -0.911 -7.458 0.079 182 HG23 VAL 24 HG23 VAL 24 -2.487 -8.250 -0.000 183 H GLU 25 H GLU 25 -3.001 -5.943 4.480 184 HA GLU 25 HA GLU 25 -3.842 -3.263 4.154 185 HB2 GLU 25 HB2 GLU 25 -4.077 -5.109 6.563 186 HB3 GLU 25 HB3 GLU 25 -4.922 -3.573 6.399 187 HG2 GLU 25 HG2 GLU 25 -5.280 -6.038 4.681 188 HG3 GLU 25 HG3 GLU 25 -6.426 -5.379 5.843 189 H LYS 26 H LYS 26 -1.315 -4.714 6.138 190 HA LYS 26 HA LYS 26 -0.747 -2.388 7.708 191 HB2 LYS 26 HB2 LYS 26 -0.327 -4.787 8.391 192 HB3 LYS 26 HB3 LYS 26 0.977 -4.865 7.223 193 HG2 LYS 26 HG2 LYS 26 1.014 -2.787 9.414 194 HG3 LYS 26 HG3 LYS 26 1.504 -4.438 9.764 195 HD2 LYS 26 HD2 LYS 26 2.768 -2.853 7.511 196 HD3 LYS 26 HD3 LYS 26 3.345 -2.710 9.169 197 HE2 LYS 26 HE2 LYS 26 4.737 -4.290 7.959 198 HE3 LYS 26 HE3 LYS 26 3.817 -5.163 9.182 199 HZ1 LYS 26 HZ1 LYS 26 3.902 -6.328 7.060 200 HZ2 LYS 26 HZ2 LYS 26 3.157 -5.025 6.288 201 HZ3 LYS 26 HZ3 LYS 26 2.312 -5.911 7.454 202 H GLU 27 H GLU 27 0.471 -3.747 4.666 203 HA GLU 27 HA GLU 27 2.702 -1.966 4.352 204 HB2 GLU 27 HB2 GLU 27 1.277 -3.784 2.350 205 HB3 GLU 27 HB3 GLU 27 2.694 -2.824 1.946 206 HG2 GLU 27 HG2 GLU 27 2.561 -5.069 3.967 207 HG3 GLU 27 HG3 GLU 27 3.342 -5.110 2.388 208 H ALA 28 H ALA 28 -0.627 -2.091 3.231 209 HA ALA 28 HA ALA 28 -0.386 -0.135 1.192 210 HB1 ALA 28 HB1 ALA 28 -2.827 -0.276 1.061 211 HB2 ALA 28 HB2 ALA 28 -2.870 -1.191 2.572 212 HB3 ALA 28 HB3 ALA 28 -2.103 -1.880 1.139 213 H ARG 29 H ARG 29 -1.838 -0.067 4.464 214 HA ARG 29 HA ARG 29 -2.631 2.623 4.416 215 HB2 ARG 29 HB2 ARG 29 -2.945 2.482 6.821 216 HB3 ARG 29 HB3 ARG 29 -3.494 0.994 6.069 217 HG2 ARG 29 HG2 ARG 29 -1.369 -0.115 6.804 218 HG3 ARG 29 HG3 ARG 29 -0.916 1.377 7.631 219 HD2 ARG 29 HD2 ARG 29 -2.874 1.196 9.086 220 HD3 ARG 29 HD3 ARG 29 -3.417 -0.246 8.225 221 HE ARG 29 HE ARG 29 -0.897 -0.134 9.798 222 HH11 ARG 29 HH11 ARG 29 -3.845 -1.824 8.891 223 HH12 ARG 29 HH12 ARG 29 -3.488 -3.218 9.860 224 HH21 ARG 29 HH21 ARG 29 -0.434 -1.981 11.059 225 HH22 ARG 29 HH22 ARG 29 -1.554 -3.307 11.092 226 H ARG 30 H ARG 30 0.393 1.125 5.504 227 HA ARG 30 HA ARG 30 1.482 3.545 6.603 228 HB2 ARG 30 HB2 ARG 30 2.604 0.763 6.168 229 HB3 ARG 30 HB3 ARG 30 3.602 2.074 6.788 230 HG2 ARG 30 HG2 ARG 30 1.059 1.043 8.095 231 HG3 ARG 30 HG3 ARG 30 2.705 0.655 8.603 232 HD2 ARG 30 HD2 ARG 30 3.118 3.031 9.118 233 HD3 ARG 30 HD3 ARG 30 1.492 3.443 8.573 234 HE ARG 30 HE ARG 30 0.780 1.842 10.465 235 HH11 ARG 30 HH11 ARG 30 3.557 4.006 10.640 236 HH12 ARG 30 HH12 ARG 30 3.458 4.175 12.366 237 HH21 ARG 30 HH21 ARG 30 0.646 2.119 12.709 238 HH22 ARG 30 HH22 ARG 30 1.811 3.105 13.536 239 H THR 31 H THR 31 1.789 1.914 3.453 240 HA THR 31 HA THR 31 3.908 3.566 2.457 241 HB THR 31 HB THR 31 1.681 2.208 0.857 242 HG1 THR 31 HG1 THR 31 2.805 0.440 1.124 243 HG21 THR 31 HG21 THR 31 3.225 2.354 -1.068 244 HG22 THR 31 HG22 THR 31 4.391 3.239 -0.084 245 HG23 THR 31 HG23 THR 31 2.828 3.967 -0.468 246 H LYS 32 H LYS 32 0.362 3.768 2.238 247 HA LYS 32 HA LYS 32 0.030 6.177 0.862 248 HB2 LYS 32 HB2 LYS 32 -1.686 4.808 2.974 249 HB3 LYS 32 HB3 LYS 32 -2.239 6.222 2.089 250 HG2 LYS 32 HG2 LYS 32 -1.387 3.664 0.693 251 HG3 LYS 32 HG3 LYS 32 -3.034 3.920 1.258 252 HD2 LYS 32 HD2 LYS 32 -1.599 5.747 -0.711 253 HD3 LYS 32 HD3 LYS 32 -2.700 4.443 -1.172 254 HE2 LYS 32 HE2 LYS 32 -4.540 5.533 0.055 255 HE3 LYS 32 HE3 LYS 32 -3.450 6.829 0.557 256 HZ1 LYS 32 HZ1 LYS 32 -4.781 7.504 -1.318 257 HZ2 LYS 32 HZ2 LYS 32 -4.233 6.193 -2.235 258 HZ3 LYS 32 HZ3 LYS 32 -3.160 7.411 -1.777 259 H GLU 33 H GLU 33 0.410 5.588 4.355 260 HA GLU 33 HA GLU 33 0.004 8.268 5.218 261 HB2 GLU 33 HB2 GLU 33 1.302 5.885 6.608 262 HB3 GLU 33 HB3 GLU 33 1.060 7.441 7.392 263 HG2 GLU 33 HG2 GLU 33 -1.107 5.605 6.347 264 HG3 GLU 33 HG3 GLU 33 -0.694 5.882 8.035 265 H GLU 34 H GLU 34 2.977 6.354 4.595 266 HA GLU 34 HA GLU 34 4.796 8.242 5.694 267 HB2 GLU 34 HB2 GLU 34 5.316 5.821 5.488 268 HB3 GLU 34 HB3 GLU 34 5.370 5.968 3.734 269 HG2 GLU 34 HG2 GLU 34 7.334 7.379 3.848 270 HG3 GLU 34 HG3 GLU 34 7.222 7.487 5.600 271 H GLU 35 H GLU 35 3.487 7.853 2.437 272 HA GLU 35 HA GLU 35 5.335 9.632 1.149 273 HB2 GLU 35 HB2 GLU 35 2.527 8.833 0.282 274 HB3 GLU 35 HB3 GLU 35 3.723 9.634 -0.730 275 HG2 GLU 35 HG2 GLU 35 3.848 6.823 0.378 276 HG3 GLU 35 HG3 GLU 35 3.699 7.303 -1.307 277 H CYS 36 H CYS 36 2.398 10.105 2.968 278 HA CYS 36 HA CYS 36 2.320 12.995 2.403 279 HB2 CYS 36 HB2 CYS 36 0.383 11.239 3.975 280 HB3 CYS 36 HB3 CYS 36 0.132 12.936 3.553 281 H ARG 37 H ARG 37 3.725 10.882 4.658 282 HA ARG 37 HA ARG 37 3.853 12.956 6.783 283 HB2 ARG 37 HB2 ARG 37 2.549 11.066 7.601 284 HB3 ARG 37 HB3 ARG 37 3.775 9.923 7.078 285 HG2 ARG 37 HG2 ARG 37 3.750 10.253 9.527 286 HG3 ARG 37 HG3 ARG 37 5.302 10.682 8.809 287 HD2 ARG 37 HD2 ARG 37 4.625 12.288 10.548 288 HD3 ARG 37 HD3 ARG 37 4.737 13.064 8.967 289 HE ARG 37 HE ARG 37 2.072 12.178 9.569 290 HH11 ARG 37 HH11 ARG 37 4.327 14.818 10.171 291 HH12 ARG 37 HH12 ARG 37 3.077 15.974 10.490 292 HH21 ARG 37 HH21 ARG 37 0.444 13.712 10.009 293 HH22 ARG 37 HH22 ARG 37 0.878 15.346 10.399 294 H LYS 38 H LYS 38 5.777 13.806 6.900 295 HA LYS 38 HA LYS 38 8.188 12.407 5.987 296 HB2 LYS 38 HB2 LYS 38 7.534 15.339 6.502 297 HB3 LYS 38 HB3 LYS 38 9.197 14.793 6.321 298 HG2 LYS 38 HG2 LYS 38 8.416 15.693 4.214 299 HG3 LYS 38 HG3 LYS 38 8.670 13.956 4.039 300 HD2 LYS 38 HD2 LYS 38 6.213 13.600 4.268 301 HD3 LYS 38 HD3 LYS 38 5.983 15.344 4.407 302 HE2 LYS 38 HE2 LYS 38 7.157 13.923 1.993 303 HE3 LYS 38 HE3 LYS 38 5.495 14.504 2.124 304 HZ1 LYS 38 HZ1 LYS 38 6.349 16.753 2.381 305 HZ2 LYS 38 HZ2 LYS 38 6.869 16.071 0.925 306 HZ3 LYS 38 HZ3 LYS 38 7.937 16.190 2.230 Start of MODEL 20 1 H1 GLN 1 H1 GLN 1 -4.407 -8.842 -8.176 2 H2 GLN 1 H2 GLN 1 -4.226 -10.328 -8.953 3 H3 GLN 1 H3 GLN 1 -3.662 -8.914 -9.697 4 HA GLN 1 HA GLN 1 -2.642 -10.129 -7.202 5 HB2 GLN 1 HB2 GLN 1 -1.316 -9.861 -9.938 6 HB3 GLN 1 HB3 GLN 1 -0.563 -10.549 -8.499 7 HG2 GLN 1 HG2 GLN 1 -2.221 -12.389 -8.510 8 HG3 GLN 1 HG3 GLN 1 -2.985 -11.695 -9.940 9 HE21 GLN 1 HE21 GLN 1 -1.793 -14.326 -9.603 10 HE22 GLN 1 HE22 GLN 1 -0.562 -14.471 -10.809 11 H CYS 2 H CYS 2 -1.272 -8.871 -6.004 12 HA CYS 2 HA CYS 2 -0.198 -7.120 -5.139 13 HB2 CYS 2 HB2 CYS 2 0.314 -6.455 -8.045 14 HB3 CYS 2 HB3 CYS 2 1.045 -5.561 -6.716 15 H TYR 3 H TYR 3 -1.699 -6.014 -4.016 16 HA TYR 3 HA TYR 3 -3.969 -4.705 -4.883 17 HB2 TYR 3 HB2 TYR 3 -3.525 -5.339 -2.520 18 HB3 TYR 3 HB3 TYR 3 -2.321 -4.077 -2.392 19 HD1 TYR 3 HD2 TYR 3 -5.935 -4.266 -3.544 20 HD2 TYR 3 HD1 TYR 3 -3.054 -2.237 -1.104 21 HE1 TYR 3 HE2 TYR 3 -7.663 -2.677 -2.795 22 HE2 TYR 3 HE1 TYR 3 -4.776 -0.678 -0.360 23 HH TYR 3 HH TYR 3 -6.943 0.230 -1.238 24 H THR 4 H THR 4 -4.232 -2.916 -6.086 25 HA THR 4 HA THR 4 -2.043 -1.009 -6.430 26 HB THR 4 HB THR 4 -4.615 -1.208 -8.068 27 HG1 THR 4 HG1 THR 4 -2.353 -2.810 -7.991 28 HG21 THR 4 HG21 THR 4 -3.258 -0.062 -9.800 29 HG22 THR 4 HG22 THR 4 -1.885 -0.005 -8.696 30 HG23 THR 4 HG23 THR 4 -3.345 0.923 -8.334 31 H PHE 5 H PHE 5 -2.086 0.788 -5.264 32 HA PHE 5 HA PHE 5 -4.583 2.257 -4.727 33 HB2 PHE 5 HB2 PHE 5 -3.726 2.736 -2.358 34 HB3 PHE 5 HB3 PHE 5 -4.308 1.104 -2.640 35 HD1 PHE 5 HD2 PHE 5 -2.587 -0.731 -3.079 36 HD2 PHE 5 HD1 PHE 5 -1.504 3.066 -1.464 37 HE1 PHE 5 HE2 PHE 5 -0.554 -1.721 -2.185 38 HE2 PHE 5 HE1 PHE 5 0.558 2.073 -0.560 39 HZ PHE 5 HZ PHE 5 1.035 -0.331 -0.914 40 H ARG 6 H ARG 6 -4.280 4.508 -4.675 41 HA ARG 6 HA ARG 6 -1.678 5.450 -5.720 42 HB2 ARG 6 HB2 ARG 6 -3.491 5.238 -7.465 43 HB3 ARG 6 HB3 ARG 6 -4.464 6.393 -6.569 44 HG2 ARG 6 HG2 ARG 6 -1.701 7.162 -7.519 45 HG3 ARG 6 HG3 ARG 6 -3.045 7.166 -8.642 46 HD2 ARG 6 HD2 ARG 6 -4.239 8.789 -7.260 47 HD3 ARG 6 HD3 ARG 6 -2.929 8.772 -6.078 48 HE ARG 6 HE ARG 6 -1.703 9.438 -8.423 49 HH11 ARG 6 HH11 ARG 6 -4.423 10.810 -6.647 50 HH12 ARG 6 HH12 ARG 6 -4.127 12.421 -7.218 51 HH21 ARG 6 HH21 ARG 6 -1.340 11.559 -9.166 52 HH22 ARG 6 HH22 ARG 6 -2.384 12.852 -8.639 53 H SER 7 H SER 7 -0.955 7.405 -5.011 54 HA SER 7 HA SER 7 -2.467 8.743 -2.871 55 HB2 SER 7 HB2 SER 7 0.501 8.053 -2.856 56 HB3 SER 7 HB3 SER 7 -0.361 8.906 -1.580 57 HG SER 7 HG SER 7 -0.357 6.211 -2.249 58 H GLU 8 H GLU 8 -2.780 10.816 -3.372 59 HA GLU 8 HA GLU 8 -1.510 12.190 -5.519 60 HB2 GLU 8 HB2 GLU 8 -3.855 12.580 -4.744 61 HB3 GLU 8 HB3 GLU 8 -3.229 13.300 -3.269 62 HG2 GLU 8 HG2 GLU 8 -3.929 15.059 -4.768 63 HG3 GLU 8 HG3 GLU 8 -2.173 15.107 -4.627 64 H CYS 9 H CYS 9 -0.683 11.827 -2.163 65 HA CYS 9 HA CYS 9 0.850 14.207 -1.783 66 HB2 CYS 9 HB2 CYS 9 0.984 11.522 -0.352 67 HB3 CYS 9 HB3 CYS 9 1.726 13.016 0.215 68 H THR 10 H THR 10 1.464 11.629 -3.813 69 HA THR 10 HA THR 10 4.318 12.263 -4.095 70 HB THR 10 HB THR 10 4.273 10.294 -2.579 71 HG1 THR 10 HG1 THR 10 5.609 8.968 -3.799 72 HG21 THR 10 HG21 THR 10 2.055 9.411 -3.187 73 HG22 THR 10 HG22 THR 10 3.289 8.159 -3.285 74 HG23 THR 10 HG23 THR 10 2.677 8.904 -4.763 75 H ASN 11 H ASN 11 1.254 11.549 -5.324 76 HA ASN 11 HA ASN 11 0.264 11.451 -7.314 77 HB2 ASN 11 HB2 ASN 11 1.865 13.107 -8.161 78 HB3 ASN 11 HB3 ASN 11 3.023 11.835 -8.500 79 HD21 ASN 11 HD21 ASN 11 -0.018 13.283 -9.487 80 HD22 ASN 11 HD22 ASN 11 -0.060 12.583 -11.067 81 H LYS 12 H LYS 12 2.793 9.245 -6.540 82 HA LYS 12 HA LYS 12 2.544 7.446 -8.730 83 HB2 LYS 12 HB2 LYS 12 3.922 7.309 -6.035 84 HB3 LYS 12 HB3 LYS 12 3.883 5.901 -7.087 85 HG2 LYS 12 HG2 LYS 12 5.001 8.591 -7.937 86 HG3 LYS 12 HG3 LYS 12 5.978 7.296 -7.237 87 HD2 LYS 12 HD2 LYS 12 4.355 7.055 -9.817 88 HD3 LYS 12 HD3 LYS 12 6.093 7.343 -9.732 89 HE2 LYS 12 HE2 LYS 12 6.397 5.156 -8.599 90 HE3 LYS 12 HE3 LYS 12 4.660 4.865 -8.697 91 HZ1 LYS 12 HZ1 LYS 12 5.844 3.729 -10.453 92 HZ2 LYS 12 HZ2 LYS 12 6.499 5.189 -11.010 93 HZ3 LYS 12 HZ3 LYS 12 4.830 4.915 -11.106 94 H GLU 13 H GLU 13 1.649 5.473 -8.881 95 HA GLU 13 HA GLU 13 -0.326 4.493 -6.939 96 HB2 GLU 13 HB2 GLU 13 0.509 3.367 -9.650 97 HB3 GLU 13 HB3 GLU 13 -0.867 2.825 -8.687 98 HG2 GLU 13 HG2 GLU 13 -2.052 4.874 -9.069 99 HG3 GLU 13 HG3 GLU 13 -0.627 5.651 -9.756 100 H PHE 14 H PHE 14 -0.108 2.281 -6.099 101 HA PHE 14 HA PHE 14 2.627 1.160 -6.100 102 HB2 PHE 14 HB2 PHE 14 0.955 1.424 -3.563 103 HB3 PHE 14 HB3 PHE 14 2.635 0.903 -3.686 104 HD1 PHE 14 HD2 PHE 14 4.391 2.594 -4.413 105 HD2 PHE 14 HD1 PHE 14 0.394 3.711 -3.323 106 HE1 PHE 14 HE2 PHE 14 5.100 4.916 -4.105 107 HE2 PHE 14 HE1 PHE 14 1.130 6.015 -3.027 108 HZ PHE 14 HZ PHE 14 3.467 6.612 -3.408 109 H THR 15 H THR 15 2.696 -1.030 -6.065 110 HA THR 15 HA THR 15 0.180 -2.573 -5.821 111 HB THR 15 HB THR 15 1.262 -4.111 -7.568 112 HG1 THR 15 HG1 THR 15 3.390 -3.299 -7.443 113 HG21 THR 15 HG21 THR 15 0.632 -2.735 -9.526 114 HG22 THR 15 HG22 THR 15 0.581 -1.299 -8.503 115 HG23 THR 15 HG23 THR 15 -0.575 -2.608 -8.243 116 H VAL 16 H VAL 16 0.311 -4.029 -4.145 117 HA VAL 16 HA VAL 16 2.964 -5.142 -3.437 118 HB VAL 16 HB VAL 16 2.437 -3.346 -1.848 119 HG11 VAL 16 HG11 VAL 16 -0.021 -4.923 -1.012 120 HG12 VAL 16 HG12 VAL 16 -0.025 -3.374 -1.861 121 HG13 VAL 16 HG13 VAL 16 0.603 -3.477 -0.214 122 HG21 VAL 16 HG21 VAL 16 3.775 -5.252 -1.064 123 HG22 VAL 16 HG22 VAL 16 2.309 -6.078 -0.534 124 HG23 VAL 16 HG23 VAL 16 2.808 -4.579 0.252 125 H CYS 17 H CYS 17 2.907 -7.228 -3.863 126 HA CYS 17 HA CYS 17 0.526 -8.884 -3.425 127 HB2 CYS 17 HB2 CYS 17 3.173 -9.411 -4.803 128 HB3 CYS 17 HB3 CYS 17 2.077 -10.726 -4.388 129 H ARG 18 H ARG 18 0.249 -9.655 -1.420 130 HA ARG 18 HA ARG 18 2.577 -10.584 0.161 131 HB2 ARG 18 HB2 ARG 18 -0.052 -9.413 1.171 132 HB3 ARG 18 HB3 ARG 18 1.218 -10.054 2.203 133 HG2 ARG 18 HG2 ARG 18 1.591 -7.660 0.361 134 HG3 ARG 18 HG3 ARG 18 1.104 -7.535 2.051 135 HD2 ARG 18 HD2 ARG 18 3.463 -7.112 1.948 136 HD3 ARG 18 HD3 ARG 18 3.255 -8.709 2.675 137 HE ARG 18 HE ARG 18 3.851 -8.420 -0.201 138 HH11 ARG 18 HH11 ARG 18 4.838 -9.654 2.945 139 HH12 ARG 18 HH12 ARG 18 6.129 -10.607 2.285 140 HH21 ARG 18 HH21 ARG 18 5.441 -9.778 -1.044 141 HH22 ARG 18 HH22 ARG 18 6.468 -10.680 0.027 142 HA PRO 19 HA PRO 19 0.778 -14.668 -0.039 143 HB2 PRO 19 HB2 PRO 19 1.516 -15.742 2.427 144 HB3 PRO 19 HB3 PRO 19 2.638 -15.533 1.065 145 HG2 PRO 19 HG2 PRO 19 2.206 -13.735 3.438 146 HG3 PRO 19 HG3 PRO 19 3.732 -14.287 2.704 147 HD2 PRO 19 HD2 PRO 19 2.769 -11.827 2.182 148 HD3 PRO 19 HD3 PRO 19 3.579 -12.771 0.911 149 H ASN 20 H ASN 20 -0.132 -12.538 2.546 150 HA ASN 20 HA ASN 20 -2.863 -13.624 2.496 151 HB2 ASN 20 HB2 ASN 20 -3.082 -13.236 4.972 152 HB3 ASN 20 HB3 ASN 20 -1.956 -14.523 4.577 153 HD21 ASN 20 HD21 ASN 20 0.163 -14.296 5.124 154 HD22 ASN 20 HD22 ASN 20 0.807 -12.979 6.026 155 HA PRO 21 HA PRO 21 -3.774 -9.258 1.872 156 HB2 PRO 21 HB2 PRO 21 -6.411 -9.158 2.770 157 HB3 PRO 21 HB3 PRO 21 -5.926 -9.809 1.189 158 HG2 PRO 21 HG2 PRO 21 -6.515 -11.289 3.734 159 HG3 PRO 21 HG3 PRO 21 -7.012 -11.669 2.066 160 HD2 PRO 21 HD2 PRO 21 -4.935 -12.955 3.242 161 HD3 PRO 21 HD3 PRO 21 -4.926 -12.582 1.507 162 H GLU 22 H GLU 22 -3.746 -10.678 5.059 163 HA GLU 22 HA GLU 22 -4.418 -8.414 6.638 164 HB2 GLU 22 HB2 GLU 22 -4.104 -10.780 7.559 165 HB3 GLU 22 HB3 GLU 22 -2.373 -10.537 7.405 166 HG2 GLU 22 HG2 GLU 22 -2.552 -8.520 8.908 167 HG3 GLU 22 HG3 GLU 22 -4.247 -8.914 9.165 168 H GLU 23 H GLU 23 -1.302 -9.623 5.412 169 HA GLU 23 HA GLU 23 0.355 -7.592 6.419 170 HB2 GLU 23 HB2 GLU 23 0.643 -9.414 4.015 171 HB3 GLU 23 HB3 GLU 23 1.912 -8.296 4.508 172 HG2 GLU 23 HG2 GLU 23 2.074 -9.461 6.683 173 HG3 GLU 23 HG3 GLU 23 0.825 -10.597 6.164 174 H VAL 24 H VAL 24 -1.571 -7.817 3.412 175 HA VAL 24 HA VAL 24 -0.640 -5.463 2.158 176 HB VAL 24 HB VAL 24 -3.437 -6.675 1.974 177 HG11 VAL 24 HG11 VAL 24 -3.446 -4.343 1.198 178 HG12 VAL 24 HG12 VAL 24 -3.612 -5.431 -0.180 179 HG13 VAL 24 HG13 VAL 24 -2.057 -4.660 0.154 180 HG21 VAL 24 HG21 VAL 24 -1.043 -7.054 0.136 181 HG22 VAL 24 HG22 VAL 24 -2.660 -7.717 -0.127 182 HG23 VAL 24 HG23 VAL 24 -1.694 -8.269 1.244 183 H GLU 25 H GLU 25 -3.156 -5.982 4.644 184 HA GLU 25 HA GLU 25 -4.285 -3.421 4.709 185 HB2 GLU 25 HB2 GLU 25 -3.910 -5.296 7.083 186 HB3 GLU 25 HB3 GLU 25 -5.046 -3.954 7.005 187 HG2 GLU 25 HG2 GLU 25 -5.141 -6.458 5.295 188 HG3 GLU 25 HG3 GLU 25 -6.144 -6.136 6.704 189 H LYS 26 H LYS 26 -1.394 -4.714 6.255 190 HA LYS 26 HA LYS 26 -0.818 -2.415 7.899 191 HB2 LYS 26 HB2 LYS 26 1.137 -4.595 7.053 192 HB3 LYS 26 HB3 LYS 26 1.204 -3.601 8.508 193 HG2 LYS 26 HG2 LYS 26 -0.838 -5.762 7.901 194 HG3 LYS 26 HG3 LYS 26 0.536 -5.921 8.995 195 HD2 LYS 26 HD2 LYS 26 -0.462 -4.165 10.468 196 HD3 LYS 26 HD3 LYS 26 -1.835 -4.033 9.365 197 HE2 LYS 26 HE2 LYS 26 -2.457 -6.364 9.831 198 HE3 LYS 26 HE3 LYS 26 -1.056 -6.545 10.889 199 HZ1 LYS 26 HZ1 LYS 26 -3.355 -4.718 11.325 200 HZ2 LYS 26 HZ2 LYS 26 -1.994 -4.816 12.318 201 HZ3 LYS 26 HZ3 LYS 26 -3.032 -6.143 12.178 202 H GLU 27 H GLU 27 0.694 -3.817 4.990 203 HA GLU 27 HA GLU 27 2.730 -1.945 4.642 204 HB2 GLU 27 HB2 GLU 27 1.509 -3.758 2.518 205 HB3 GLU 27 HB3 GLU 27 3.066 -2.948 2.399 206 HG2 GLU 27 HG2 GLU 27 2.303 -5.228 4.243 207 HG3 GLU 27 HG3 GLU 27 3.434 -5.273 2.899 208 H ALA 28 H ALA 28 -0.500 -2.163 3.180 209 HA ALA 28 HA ALA 28 -0.175 -0.208 1.200 210 HB1 ALA 28 HB1 ALA 28 -2.015 -1.842 1.160 211 HB2 ALA 28 HB2 ALA 28 -2.622 -0.193 1.006 212 HB3 ALA 28 HB3 ALA 28 -2.757 -1.045 2.549 213 H ARG 29 H ARG 29 -1.667 0.025 4.453 214 HA ARG 29 HA ARG 29 -2.230 2.825 4.148 215 HB2 ARG 29 HB2 ARG 29 -3.113 2.786 6.375 216 HB3 ARG 29 HB3 ARG 29 -3.638 1.329 5.545 217 HG2 ARG 29 HG2 ARG 29 -1.909 0.026 6.774 218 HG3 ARG 29 HG3 ARG 29 -1.422 1.497 7.623 219 HD2 ARG 29 HD2 ARG 29 -3.649 1.675 8.638 220 HD3 ARG 29 HD3 ARG 29 -4.200 0.264 7.730 221 HE ARG 29 HE ARG 29 -1.930 -0.072 9.547 222 HH11 ARG 29 HH11 ARG 29 -5.344 -0.651 8.944 223 HH12 ARG 29 HH12 ARG 29 -5.491 -1.841 10.196 224 HH21 ARG 29 HH21 ARG 29 -2.172 -1.607 11.245 225 HH22 ARG 29 HH22 ARG 29 -3.705 -2.377 11.491 226 H ARG 30 H ARG 30 0.449 1.018 5.535 227 HA ARG 30 HA ARG 30 1.713 3.203 6.853 228 HB2 ARG 30 HB2 ARG 30 2.436 0.398 6.159 229 HB3 ARG 30 HB3 ARG 30 3.807 1.485 6.252 230 HG2 ARG 30 HG2 ARG 30 3.485 0.330 8.357 231 HG3 ARG 30 HG3 ARG 30 3.236 2.061 8.557 232 HD2 ARG 30 HD2 ARG 30 0.988 0.040 8.301 233 HD3 ARG 30 HD3 ARG 30 1.660 0.581 9.836 234 HE ARG 30 HE ARG 30 0.220 2.339 7.929 235 HH11 ARG 30 HH11 ARG 30 1.102 1.562 11.264 236 HH12 ARG 30 HH12 ARG 30 0.119 2.830 11.925 237 HH21 ARG 30 HH21 ARG 30 -1.047 3.974 8.832 238 HH22 ARG 30 HH22 ARG 30 -1.087 4.183 10.554 239 H THR 31 H THR 31 1.993 1.813 3.590 240 HA THR 31 HA THR 31 3.976 3.592 2.592 241 HB THR 31 HB THR 31 1.831 2.070 1.041 242 HG1 THR 31 HG1 THR 31 3.512 0.959 2.424 243 HG21 THR 31 HG21 THR 31 3.304 2.273 -0.937 244 HG22 THR 31 HG22 THR 31 4.434 3.258 -0.008 245 HG23 THR 31 HG23 THR 31 2.823 3.876 -0.368 246 H LYS 32 H LYS 32 0.451 3.779 2.753 247 HA LYS 32 HA LYS 32 -0.013 6.045 1.187 248 HB2 LYS 32 HB2 LYS 32 -1.498 4.878 3.569 249 HB3 LYS 32 HB3 LYS 32 -2.112 6.263 2.678 250 HG2 LYS 32 HG2 LYS 32 -1.569 3.532 1.442 251 HG3 LYS 32 HG3 LYS 32 -3.146 4.083 2.005 252 HD2 LYS 32 HD2 LYS 32 -1.516 5.452 -0.182 253 HD3 LYS 32 HD3 LYS 32 -2.827 4.300 -0.470 254 HE2 LYS 32 HE2 LYS 32 -4.445 5.785 0.570 255 HE3 LYS 32 HE3 LYS 32 -3.166 6.900 1.061 256 HZ1 LYS 32 HZ1 LYS 32 -2.696 7.263 -1.296 257 HZ2 LYS 32 HZ2 LYS 32 -4.267 7.719 -0.872 258 HZ3 LYS 32 HZ3 LYS 32 -4.004 6.275 -1.711 259 H GLU 33 H GLU 33 0.611 5.778 4.683 260 HA GLU 33 HA GLU 33 0.626 8.601 5.186 261 HB2 GLU 33 HB2 GLU 33 1.614 6.282 6.877 262 HB3 GLU 33 HB3 GLU 33 1.401 7.932 7.454 263 HG2 GLU 33 HG2 GLU 33 -0.802 6.092 6.463 264 HG3 GLU 33 HG3 GLU 33 -0.444 6.457 8.147 265 H GLU 34 H GLU 34 3.086 6.218 4.367 266 HA GLU 34 HA GLU 34 5.386 7.672 5.273 267 HB2 GLU 34 HB2 GLU 34 5.387 5.220 5.066 268 HB3 GLU 34 HB3 GLU 34 5.113 5.348 3.333 269 HG2 GLU 34 HG2 GLU 34 7.338 6.353 3.031 270 HG3 GLU 34 HG3 GLU 34 7.604 6.311 4.772 271 H GLU 35 H GLU 35 3.716 7.340 2.222 272 HA GLU 35 HA GLU 35 5.549 8.987 0.716 273 HB2 GLU 35 HB2 GLU 35 2.820 7.801 0.077 274 HB3 GLU 35 HB3 GLU 35 3.797 8.695 -1.090 275 HG2 GLU 35 HG2 GLU 35 4.701 6.159 0.322 276 HG3 GLU 35 HG3 GLU 35 3.975 6.200 -1.281 277 H CYS 36 H CYS 36 2.943 9.562 2.842 278 HA CYS 36 HA CYS 36 2.595 12.334 1.834 279 HB2 CYS 36 HB2 CYS 36 0.570 10.690 1.881 280 HB3 CYS 36 HB3 CYS 36 0.616 10.896 3.632 281 H ARG 37 H ARG 37 4.664 11.070 3.788 282 HA ARG 37 HA ARG 37 3.993 11.887 6.428 283 HB2 ARG 37 HB2 ARG 37 6.373 11.442 7.014 284 HB3 ARG 37 HB3 ARG 37 5.618 10.134 6.134 285 HG2 ARG 37 HG2 ARG 37 7.786 10.218 5.291 286 HG3 ARG 37 HG3 ARG 37 6.823 11.011 4.054 287 HD2 ARG 37 HD2 ARG 37 9.008 12.107 4.474 288 HD3 ARG 37 HD3 ARG 37 7.640 13.186 4.753 289 HE ARG 37 HE ARG 37 8.397 11.949 7.185 290 HH11 ARG 37 HH11 ARG 37 9.586 14.427 4.960 291 HH12 ARG 37 HH12 ARG 37 10.446 15.280 6.200 292 HH21 ARG 37 HH21 ARG 37 9.478 13.108 8.784 293 HH22 ARG 37 HH22 ARG 37 10.386 14.534 8.372 294 H LYS 38 H LYS 38 5.476 13.618 3.777 295 HA LYS 38 HA LYS 38 6.407 15.833 5.433 296 HB2 LYS 38 HB2 LYS 38 7.575 14.886 3.302 297 HB3 LYS 38 HB3 LYS 38 6.361 15.762 2.391 298 HG2 LYS 38 HG2 LYS 38 8.288 17.077 4.342 299 HG3 LYS 38 HG3 LYS 38 8.613 16.912 2.622 300 HD2 LYS 38 HD2 LYS 38 6.220 18.424 3.740 301 HD3 LYS 38 HD3 LYS 38 7.768 19.186 3.395 302 HE2 LYS 38 HE2 LYS 38 6.290 19.620 1.563 303 HE3 LYS 38 HE3 LYS 38 7.509 18.483 1.001 304 HZ1 LYS 38 HZ1 LYS 38 4.770 17.728 1.869 305 HZ2 LYS 38 HZ2 LYS 38 5.916 16.714 1.145 306 HZ3 LYS 38 HZ3 LYS 38 5.234 17.987 0.264
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