NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
637234 | 6o3q | 30579 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ARG 1 HT1 ARG 1 11.423 5.254 -11.685 2 H2 ARG 1 HT2 ARG 1 11.612 4.997 -13.346 3 H3 ARG 1 HT3 ARG 1 12.023 3.789 -12.240 4 HA ARG 1 HA ARG 1 9.310 4.822 -12.697 5 HB2 ARG 1 HB2 ARG 1 10.154 3.428 -14.547 6 HB3 ARG 1 HB1 ARG 1 10.603 2.173 -13.406 7 HG2 ARG 1 HG2 ARG 1 8.574 1.532 -14.502 8 HG3 ARG 1 HG1 ARG 1 8.204 1.923 -12.823 9 HD2 ARG 1 HD2 ARG 1 7.400 4.128 -13.515 10 HD3 ARG 1 HD1 ARG 1 7.791 3.746 -15.192 11 HE ARG 1 HE ARG 1 5.909 2.088 -13.688 12 HH11 ARG 1 HH11 ARG 1 6.523 4.295 -16.399 13 HH12 ARG 1 HH12 ARG 1 5.037 4.005 -17.159 14 HH21 ARG 1 HH21 ARG 1 3.814 1.713 -14.758 15 HH22 ARG 1 HH22 ARG 1 3.486 2.528 -16.218 16 H GLY 2 H GLY 2 8.158 4.656 -10.867 17 HA2 GLY 2 HA2 GLY 2 8.715 2.399 -9.113 18 HA3 GLY 2 HA1 GLY 2 8.597 4.032 -8.459 19 HA PRO 3 HA PRO 3 4.268 2.255 -9.298 20 HB2 PRO 3 HB2 PRO 3 3.792 0.504 -7.332 21 HB3 PRO 3 HB1 PRO 3 4.589 -0.012 -8.822 22 HG2 PRO 3 HG2 PRO 3 5.817 0.686 -6.177 23 HG3 PRO 3 HG1 PRO 3 6.144 -0.713 -7.215 24 HD2 PRO 3 HD2 PRO 3 7.722 1.493 -7.203 25 HD3 PRO 3 HD1 PRO 3 7.468 0.503 -8.653 26 H ASP 4 H ASP 4 2.394 2.535 -7.654 27 HA ASP 4 HA ASP 4 2.908 4.860 -6.073 28 HB2 ASP 4 HB2 ASP 4 0.644 4.379 -7.127 29 HB3 ASP 4 HB1 ASP 4 0.482 3.088 -5.921 30 H LYS 5 H LYS 5 2.348 4.938 -3.827 31 HA LYS 5 HA LYS 5 3.940 3.077 -2.374 32 HB2 LYS 5 HB2 LYS 5 3.261 4.306 -0.350 33 HB3 LYS 5 HB1 LYS 5 3.932 5.346 -1.605 34 HG2 LYS 5 HG2 LYS 5 1.714 6.113 -2.168 35 HG3 LYS 5 HG1 LYS 5 1.004 4.983 -1.019 36 HD2 LYS 5 HD2 LYS 5 2.231 6.127 0.809 37 HD3 LYS 5 HD1 LYS 5 2.844 7.281 -0.371 38 HE2 LYS 5 HE2 LYS 5 -0.079 6.810 0.152 39 HE3 LYS 5 HE1 LYS 5 0.874 8.060 0.945 40 HZ1 LYS 5 HZ1 LYS 5 0.460 7.855 -2.006 41 HZ2 LYS 5 HZ2 LYS 5 1.283 9.081 -1.168 42 HZ3 LYS 5 HZ3 LYS 5 -0.358 8.878 -0.941 43 H SER 6 H SER 6 0.556 3.432 -2.929 44 HA SER 6 HA SER 6 -0.357 1.586 -0.966 45 HB2 SER 6 HB2 SER 6 -1.659 2.191 -3.625 46 HB3 SER 6 HB1 SER 6 -2.448 1.702 -2.122 47 HG SER 6 HG SER 6 -1.317 4.145 -2.859 48 H TYR 7 H TYR 7 1.029 1.288 -4.138 49 HA TYR 7 HA TYR 7 0.302 -1.480 -4.489 50 HB2 TYR 7 HB2 TYR 7 0.773 0.160 -6.391 51 HB3 TYR 7 HB1 TYR 7 2.461 0.067 -5.918 52 HD1 TYR 7 HD1 TYR 7 3.792 -1.876 -6.449 53 HD2 TYR 7 HD2 TYR 7 -0.350 -1.776 -7.389 54 HE1 TYR 7 HE1 TYR 7 4.071 -3.850 -7.876 55 HE2 TYR 7 HE2 TYR 7 -0.076 -3.754 -8.819 56 HH TYR 7 HH TYR 7 2.635 -5.683 -8.701 57 H LYS 8 H LYS 8 2.999 0.416 -3.358 58 HA LYS 8 HA LYS 8 4.834 -1.631 -2.819 59 HB2 LYS 8 HB2 LYS 8 5.409 0.741 -2.737 60 HB3 LYS 8 HB1 LYS 8 4.287 0.976 -1.408 61 HG2 LYS 8 HG2 LYS 8 5.687 -0.443 0.012 62 HG3 LYS 8 HG1 LYS 8 6.815 -0.655 -1.328 63 HD2 LYS 8 HD2 LYS 8 7.617 1.064 0.195 64 HD3 LYS 8 HD1 LYS 8 7.204 1.760 -1.374 65 HE2 LYS 8 HE2 LYS 8 5.105 2.600 -0.487 66 HE3 LYS 8 HE1 LYS 8 5.412 1.810 1.059 67 HZ1 LYS 8 HZ1 LYS 8 5.914 4.181 1.097 68 HZ2 LYS 8 HZ2 LYS 8 7.070 3.988 -0.113 69 HZ3 LYS 8 HZ3 LYS 8 7.276 3.242 1.399 70 H ARG 9 H ARG 9 2.265 -0.177 -0.850 71 HA ARG 9 HA ARG 9 2.425 -1.726 1.463 72 HB2 ARG 9 HB2 ARG 9 -0.035 -0.651 0.074 73 HB3 ARG 9 HB1 ARG 9 -0.026 -1.299 1.701 74 HG2 ARG 9 HG2 ARG 9 1.478 1.138 0.771 75 HG3 ARG 9 HG1 ARG 9 -0.060 1.150 1.633 76 HD2 ARG 9 HD2 ARG 9 2.547 0.050 2.666 77 HD3 ARG 9 HD1 ARG 9 1.814 1.582 3.128 78 HE ARG 9 HE ARG 9 -0.048 -0.416 3.603 79 HH11 ARG 9 HH11 ARG 9 3.106 0.610 4.813 80 HH12 ARG 9 HH12 ARG 9 2.903 -0.065 6.367 81 HH21 ARG 9 HH21 ARG 9 -0.354 -1.324 5.729 82 HH22 ARG 9 HH22 ARG 9 0.878 -1.188 6.910 83 H LEU 10 H LEU 10 0.579 -2.274 -1.481 84 HA LEU 10 HA LEU 10 -0.562 -4.722 -0.843 85 HB2 LEU 10 HB2 LEU 10 -1.371 -3.520 -2.722 86 HB3 LEU 10 HB1 LEU 10 0.203 -3.500 -3.476 87 HG LEU 10 HG LEU 10 0.042 -5.848 -4.012 88 HD11 LEU 10 HD11 LEU 10 -1.120 -6.697 -2.117 89 HD12 LEU 10 HD12 LEU 10 -2.029 -7.123 -3.568 90 HD13 LEU 10 HD13 LEU 10 -2.584 -5.801 -2.529 91 HD21 LEU 10 HD21 LEU 10 -1.839 -5.773 -5.567 92 HD22 LEU 10 HD22 LEU 10 -0.923 -4.266 -5.572 93 HD23 LEU 10 HD23 LEU 10 -2.471 -4.356 -4.731 94 H GLN 11 H GLN 11 2.500 -4.083 -2.488 95 HA GLN 11 HA GLN 11 3.279 -6.716 -2.961 96 HB2 GLN 11 HB2 GLN 11 4.933 -4.261 -2.422 97 HB3 GLN 11 HB1 GLN 11 5.630 -5.795 -2.906 98 HG2 GLN 11 HG2 GLN 11 4.383 -5.711 -4.997 99 HG3 GLN 11 HG1 GLN 11 3.644 -4.190 -4.496 100 HE21 GLN 11 1HE2 GLN 11 4.842 -2.343 -4.530 101 HE22 GLN 11 2HE2 GLN 11 6.401 -2.225 -5.278 102 H GLU 12 H GLU 12 4.097 -4.648 -0.197 103 HA GLU 12 HA GLU 12 5.499 -6.590 1.242 104 HB2 GLU 12 HB2 GLU 12 4.039 -4.107 2.089 105 HB3 GLU 12 HB1 GLU 12 4.956 -5.103 3.213 106 HG2 GLU 12 HG2 GLU 12 6.137 -3.918 0.721 107 HG3 GLU 12 HG1 GLU 12 6.169 -3.115 2.291 108 H CYS 13 H CYS 13 2.111 -5.652 1.311 109 HA CYS 13 HA CYS 13 1.279 -7.275 3.399 110 HB2 CYS 13 HB2 CYS 13 -0.088 -5.481 2.337 111 HB3 CYS 13 HB1 CYS 13 -0.337 -6.542 0.956 112 H GLN 14 H GLN 14 1.240 -8.005 -0.110 113 HA GLN 14 HA GLN 14 0.315 -10.626 0.352 114 HB2 GLN 14 HB2 GLN 14 0.934 -11.111 -2.027 115 HB3 GLN 14 HB1 GLN 14 -0.151 -9.758 -1.805 116 HG2 GLN 14 HG2 GLN 14 1.569 -8.209 -2.197 117 HG3 GLN 14 HG1 GLN 14 2.816 -9.475 -2.235 118 HE21 GLN 14 1HE2 GLN 14 0.229 -7.916 -3.870 119 HE22 GLN 14 2HE2 GLN 14 0.478 -8.616 -5.422 120 H ARG 15 H ARG 15 3.634 -9.361 0.055 121 HA ARG 15 HA ARG 15 4.892 -11.863 0.048 122 HB2 ARG 15 HB2 ARG 15 5.795 -9.228 1.207 123 HB3 ARG 15 HB1 ARG 15 6.809 -10.659 1.154 124 HG2 ARG 15 HG2 ARG 15 5.642 -9.230 -1.210 125 HG3 ARG 15 HG1 ARG 15 7.311 -9.133 -0.662 126 HD2 ARG 15 HD2 ARG 15 5.861 -11.556 -1.755 127 HD3 ARG 15 HD1 ARG 15 7.193 -10.681 -2.500 128 HE ARG 15 HE ARG 15 8.292 -11.485 -0.205 129 HH11 ARG 15 HH11 ARG 15 6.560 -13.282 -2.758 130 HH12 ARG 15 HH12 ARG 15 7.322 -14.754 -2.381 131 HH21 ARG 15 HH21 ARG 15 9.315 -13.523 0.256 132 HH22 ARG 15 HH22 ARG 15 8.902 -14.905 -0.654 133 H ARG 16 H ARG 16 3.822 -9.836 2.734 134 HA ARG 16 HA ARG 16 4.693 -11.543 4.774 135 HB2 ARG 16 HB2 ARG 16 2.424 -9.567 4.735 136 HB3 ARG 16 HB1 ARG 16 2.907 -10.447 6.171 137 HG2 ARG 16 HG2 ARG 16 5.140 -9.411 5.999 138 HG3 ARG 16 HG1 ARG 16 4.551 -8.450 4.636 139 HD2 ARG 16 HD2 ARG 16 4.435 -7.218 6.783 140 HD3 ARG 16 HD1 ARG 16 2.850 -7.434 6.035 141 HE ARG 16 HE ARG 16 3.415 -9.563 7.809 142 HH11 ARG 16 HH11 ARG 16 2.568 -6.134 7.970 143 HH12 ARG 16 HH12 ARG 16 1.672 -6.279 9.404 144 HH21 ARG 16 HH21 ARG 16 2.201 -9.784 9.741 145 HH22 ARG 16 HH22 ARG 16 1.426 -8.439 10.449 146 H CYS 17 H CYS 17 1.571 -11.311 3.215 147 HA CYS 17 HA CYS 17 0.278 -13.315 4.603 148 HB2 CYS 17 HB2 CYS 17 -0.000 -12.524 1.722 149 HB3 CYS 17 HB1 CYS 17 -1.100 -13.620 2.545 150 H GLN 18 H GLN 18 2.479 -13.660 1.874 151 HA GLN 18 HA GLN 18 2.056 -16.429 1.480 152 HB2 GLN 18 HB2 GLN 18 4.353 -14.646 0.728 153 HB3 GLN 18 HB1 GLN 18 4.150 -16.301 0.154 154 HG2 GLN 18 HG2 GLN 18 2.000 -15.644 -0.818 155 HG3 GLN 18 HG1 GLN 18 2.262 -14.034 -0.240 156 HE21 GLN 18 1HE2 GLN 18 3.584 -12.672 -1.228 157 HE22 GLN 18 2HE2 GLN 18 4.343 -12.975 -2.765 158 H SER 19 H SER 19 3.760 -14.790 3.913 159 HA SER 19 HA SER 19 5.355 -17.188 4.493 160 HB2 SER 19 HB2 SER 19 6.608 -15.055 4.127 161 HB3 SER 19 HB1 SER 19 5.752 -14.359 5.498 162 HG SER 19 HG SER 19 7.619 -16.444 5.421 163 H GLU 20 H GLU 20 3.073 -14.855 5.855 164 HA GLU 20 HA GLU 20 3.105 -16.128 8.442 165 HB2 GLU 20 HB2 GLU 20 1.523 -13.782 7.418 166 HB3 GLU 20 HB1 GLU 20 1.698 -14.294 9.097 167 HG2 GLU 20 HG2 GLU 20 4.113 -13.905 8.939 168 HG3 GLU 20 HG1 GLU 20 3.896 -13.375 7.297 169 H GLN 21 H GLN 21 1.175 -16.231 5.550 170 HA GLN 21 HA GLN 21 -0.852 -17.713 7.041 171 HB2 GLN 21 HB2 GLN 21 -1.337 -15.878 4.682 172 HB3 GLN 21 HB1 GLN 21 -2.561 -16.817 5.523 173 HG2 GLN 21 HG2 GLN 21 -0.936 -14.566 6.687 174 HG3 GLN 21 HG1 GLN 21 -2.622 -14.476 6.187 175 HE21 GLN 21 1HE2 GLN 21 -1.357 -14.033 8.800 176 HE22 GLN 21 2HE2 GLN 21 -2.105 -15.123 9.895 177 H GLN 22 H GLN 22 -2.027 -19.257 5.628 178 HA GLN 22 HA GLN 22 -0.889 -19.936 3.095 179 HB2 GLN 22 HB2 GLN 22 -0.442 -22.296 3.776 180 HB3 GLN 22 HB1 GLN 22 0.701 -21.126 4.406 181 HG2 GLN 22 HG2 GLN 22 -0.504 -21.199 6.563 182 HG3 GLN 22 HG1 GLN 22 -1.560 -22.446 5.894 183 HE21 GLN 22 1HE2 GLN 22 1.638 -21.673 6.922 184 HE22 GLN 22 2HE2 GLN 22 2.224 -23.287 7.056 185 H GLY 23 H GLY 23 -2.064 -21.789 2.144 186 HA2 GLY 23 HA2 GLY 23 -4.030 -22.813 1.527 187 HA3 GLY 23 HA1 GLY 23 -4.432 -22.832 3.235 188 H GLN 24 H GLN 24 -6.414 -22.136 3.415 189 HA GLN 24 HA GLN 24 -7.798 -20.346 1.758 190 HB2 GLN 24 HB2 GLN 24 -8.905 -21.950 3.262 191 HB3 GLN 24 HB1 GLN 24 -8.249 -21.112 4.657 192 HG2 GLN 24 HG2 GLN 24 -10.557 -20.537 4.411 193 HG3 GLN 24 HG1 GLN 24 -9.577 -19.123 4.040 194 HE21 GLN 24 1HE2 GLN 24 -11.705 -21.529 2.797 195 HE22 GLN 24 2HE2 GLN 24 -11.998 -20.793 1.275 196 H ARG 25 H ARG 25 -6.104 -19.972 4.808 197 HA ARG 25 HA ARG 25 -6.638 -17.308 5.326 198 HB2 ARG 25 HB2 ARG 25 -4.325 -19.073 6.032 199 HB3 ARG 25 HB1 ARG 25 -4.486 -17.427 6.633 200 HG2 ARG 25 HG2 ARG 25 -6.644 -19.460 6.977 201 HG3 ARG 25 HG1 ARG 25 -5.319 -19.303 8.129 202 HD2 ARG 25 HD2 ARG 25 -7.245 -17.114 7.308 203 HD3 ARG 25 HD1 ARG 25 -7.297 -18.017 8.819 204 HE ARG 25 HE ARG 25 -4.755 -16.916 8.549 205 HH11 ARG 25 HH11 ARG 25 -8.065 -15.769 9.077 206 HH12 ARG 25 HH12 ARG 25 -7.598 -14.422 10.005 207 HH21 ARG 25 HH21 ARG 25 -4.123 -15.064 9.792 208 HH22 ARG 25 HH22 ARG 25 -5.301 -13.980 10.379 209 H LEU 26 H LEU 26 -4.208 -18.745 3.260 210 HA LEU 26 HA LEU 26 -2.788 -16.310 2.830 211 HB2 LEU 26 HB2 LEU 26 -1.606 -18.166 2.362 212 HB3 LEU 26 HB1 LEU 26 -2.823 -18.899 1.302 213 HG LEU 26 HG LEU 26 -2.303 -16.992 -0.291 214 HD11 LEU 26 HD11 LEU 26 -0.016 -16.570 1.601 215 HD12 LEU 26 HD12 LEU 26 -1.341 -15.462 1.267 216 HD13 LEU 26 HD13 LEU 26 -0.170 -15.838 0.000 217 HD21 LEU 26 HD21 LEU 26 -0.257 -17.978 -1.131 218 HD22 LEU 26 HD22 LEU 26 -1.420 -19.221 -0.656 219 HD23 LEU 26 HD23 LEU 26 -0.040 -18.858 0.386 220 H GLN 27 H GLN 27 -5.229 -17.998 0.899 221 HA GLN 27 HA GLN 27 -5.161 -16.042 -1.099 222 HB2 GLN 27 HB2 GLN 27 -7.250 -17.084 -1.981 223 HB3 GLN 27 HB1 GLN 27 -5.926 -18.202 -1.732 224 HG2 GLN 27 HG2 GLN 27 -6.987 -18.891 0.398 225 HG3 GLN 27 HG1 GLN 27 -8.357 -17.860 0.006 226 HE21 GLN 27 1HE2 GLN 27 -6.551 -19.774 -2.335 227 HE22 GLN 27 2HE2 GLN 27 -7.839 -20.847 -2.695 228 H GLU 28 H GLU 28 -7.107 -16.349 1.778 229 HA GLU 28 HA GLU 28 -8.712 -14.099 1.138 230 HB2 GLU 28 HB2 GLU 28 -8.096 -15.256 3.853 231 HB3 GLU 28 HB1 GLU 28 -9.371 -14.106 3.480 232 HG2 GLU 28 HG2 GLU 28 -10.341 -15.810 1.952 233 HG3 GLU 28 HG1 GLU 28 -9.158 -16.956 2.581 234 H CYS 29 H CYS 29 -5.690 -14.546 2.947 235 HA CYS 29 HA CYS 29 -5.478 -11.971 4.021 236 HB2 CYS 29 HB2 CYS 29 -4.047 -13.957 4.614 237 HB3 CYS 29 HB1 CYS 29 -3.188 -13.723 3.102 238 H GLN 30 H GLN 30 -4.036 -13.297 1.030 239 HA GLN 30 HA GLN 30 -3.080 -10.798 0.153 240 HB2 GLN 30 HB2 GLN 30 -3.581 -13.371 -1.294 241 HB3 GLN 30 HB1 GLN 30 -3.037 -11.935 -2.155 242 HG2 GLN 30 HG2 GLN 30 -1.094 -11.800 -0.688 243 HG3 GLN 30 HG1 GLN 30 -1.642 -13.250 0.149 244 HE21 GLN 30 1HE2 GLN 30 -2.483 -14.653 -2.195 245 HE22 GLN 30 2HE2 GLN 30 -1.069 -15.087 -3.058 246 H GLN 31 H GLN 31 -6.183 -12.244 -0.150 247 HA GLN 31 HA GLN 31 -7.159 -10.495 -2.165 248 HB2 GLN 31 HB2 GLN 31 -8.215 -12.664 -1.529 249 HB3 GLN 31 HB1 GLN 31 -8.715 -11.929 -0.018 250 HG2 GLN 31 HG2 GLN 31 -10.135 -10.388 -1.177 251 HG3 GLN 31 HG1 GLN 31 -9.562 -10.969 -2.741 252 HE21 GLN 31 1HE2 GLN 31 -11.502 -11.686 -3.450 253 HE22 GLN 31 2HE2 GLN 31 -12.331 -13.031 -2.772 254 H ARG 32 H ARG 32 -7.128 -10.437 1.360 255 HA ARG 32 HA ARG 32 -8.550 -8.033 1.697 256 HB2 ARG 32 HB2 ARG 32 -6.389 -9.186 3.477 257 HB3 ARG 32 HB1 ARG 32 -7.471 -7.879 3.930 258 HG2 ARG 32 HG2 ARG 32 -9.375 -9.447 3.667 259 HG3 ARG 32 HG1 ARG 32 -8.215 -10.737 3.355 260 HD2 ARG 32 HD2 ARG 32 -8.466 -9.103 5.883 261 HD3 ARG 32 HD1 ARG 32 -8.917 -10.790 5.677 262 HE ARG 32 HE ARG 32 -6.152 -10.125 5.153 263 HH11 ARG 32 HH11 ARG 32 -8.487 -11.364 7.541 264 HH12 ARG 32 HH12 ARG 32 -7.309 -12.015 8.565 265 HH21 ARG 32 HH21 ARG 32 -4.540 -11.047 6.576 266 HH22 ARG 32 HH22 ARG 32 -4.985 -11.866 7.993 267 H CYS 33 H CYS 33 -5.129 -8.697 1.161 268 HA CYS 33 HA CYS 33 -4.120 -6.094 1.366 269 HB2 CYS 33 HB2 CYS 33 -3.268 -8.199 -0.635 270 HB3 CYS 33 HB1 CYS 33 -2.309 -6.827 -0.096 271 H GLN 34 H GLN 34 -5.572 -7.795 -1.353 272 HA GLN 34 HA GLN 34 -5.350 -5.742 -3.276 273 HB2 GLN 34 HB2 GLN 34 -7.307 -8.027 -3.036 274 HB3 GLN 34 HB1 GLN 34 -7.164 -6.981 -4.444 275 HG2 GLN 34 HG2 GLN 34 -4.959 -7.762 -4.892 276 HG3 GLN 34 HG1 GLN 34 -4.899 -8.618 -3.357 277 HE21 GLN 34 1HE2 GLN 34 -4.425 -10.489 -4.400 278 HE22 GLN 34 2HE2 GLN 34 -5.560 -11.447 -5.258 279 H GLN 35 H GLN 35 -7.770 -6.510 -0.860 280 HA GLN 35 HA GLN 35 -9.651 -4.565 -1.728 281 HB2 GLN 35 HB2 GLN 35 -9.368 -5.841 0.999 282 HB3 GLN 35 HB1 GLN 35 -10.719 -4.843 0.493 283 HG2 GLN 35 HG2 GLN 35 -9.951 -7.569 -0.514 284 HG3 GLN 35 HG1 GLN 35 -11.420 -7.099 0.340 285 HE21 GLN 35 1HE2 GLN 35 -9.790 -7.219 -2.661 286 HE22 GLN 35 2HE2 GLN 35 -11.094 -6.709 -3.660 287 H GLU 36 H GLU 36 -7.154 -4.581 0.773 288 HA GLU 36 HA GLU 36 -7.588 -1.989 1.679 289 HB2 GLU 36 HB2 GLU 36 -5.165 -3.726 1.679 290 HB3 GLU 36 HB1 GLU 36 -5.102 -2.089 2.305 291 HG2 GLU 36 HG2 GLU 36 -6.976 -2.710 3.853 292 HG3 GLU 36 HG1 GLU 36 -6.823 -4.368 3.275 293 H TYR 37 H TYR 37 -5.480 -3.152 -0.844 294 HA TYR 37 HA TYR 37 -4.345 -0.789 -1.715 295 HB2 TYR 37 HB2 TYR 37 -3.697 -2.956 -2.638 296 HB3 TYR 37 HB1 TYR 37 -5.287 -3.168 -3.346 297 HD1 TYR 37 HD1 TYR 37 -5.679 -2.505 -5.525 298 HD2 TYR 37 HD2 TYR 37 -2.266 -0.988 -3.511 299 HE1 TYR 37 HE1 TYR 37 -4.919 -1.468 -7.613 300 HE2 TYR 37 HE2 TYR 37 -1.493 0.062 -5.601 301 HH TYR 37 HH TYR 37 -1.857 -0.249 -8.129 302 H GLN 38 H GLN 38 -7.540 -2.058 -2.503 303 HA GLN 38 HA GLN 38 -8.295 0.097 -4.232 304 HB2 GLN 38 HB2 GLN 38 -9.997 -1.895 -2.723 305 HB3 GLN 38 HB1 GLN 38 -10.599 -0.793 -3.946 306 HG2 GLN 38 HG2 GLN 38 -9.183 -1.890 -5.620 307 HG3 GLN 38 HG1 GLN 38 -8.588 -2.986 -4.378 308 HE21 GLN 38 1HE2 GLN 38 -9.353 -4.763 -5.453 309 HE22 GLN 38 2HE2 GLN 38 -11.026 -5.156 -5.584 310 H ARG 39 H ARG 39 -8.551 -0.579 -0.849 311 HA ARG 39 HA ARG 39 -10.316 1.567 -0.215 312 HB2 ARG 39 HB2 ARG 39 -8.629 -0.250 1.464 313 HB3 ARG 39 HB1 ARG 39 -9.599 1.044 2.141 314 HG2 ARG 39 HG2 ARG 39 -11.620 0.045 1.358 315 HG3 ARG 39 HG1 ARG 39 -10.718 -1.170 0.447 316 HD2 ARG 39 HD2 ARG 39 -11.642 -2.007 2.592 317 HD3 ARG 39 HD1 ARG 39 -9.890 -2.157 2.468 318 HE ARG 39 HE ARG 39 -10.610 0.273 3.731 319 HH11 ARG 39 HH11 ARG 39 -10.521 -3.192 4.387 320 HH12 ARG 39 HH12 ARG 39 -10.184 -3.017 6.045 321 HH21 ARG 39 HH21 ARG 39 -10.157 0.543 5.964 322 HH22 ARG 39 HH22 ARG 39 -9.967 -0.819 6.979 323 H GLU 40 H GLU 40 -6.868 1.287 -0.487 324 HA GLU 40 HA GLU 40 -6.393 3.717 0.916 325 HB2 GLU 40 HB2 GLU 40 -4.609 2.220 -1.007 326 HB3 GLU 40 HB1 GLU 40 -4.105 3.620 -0.069 327 HG2 GLU 40 HG2 GLU 40 -4.690 2.353 1.995 328 HG3 GLU 40 HG1 GLU 40 -4.971 0.944 0.979 329 H LYS 41 H LYS 41 -7.288 2.916 -2.276 330 HA LYS 41 HA LYS 41 -6.791 5.571 -3.270 331 HB2 LYS 41 HB2 LYS 41 -8.383 3.294 -4.470 332 HB3 LYS 41 HB1 LYS 41 -8.010 4.804 -5.297 333 HG2 LYS 41 HG2 LYS 41 -5.620 4.308 -5.112 334 HG3 LYS 41 HG1 LYS 41 -6.006 2.787 -4.310 335 HD2 LYS 41 HD2 LYS 41 -7.219 2.062 -6.320 336 HD3 LYS 41 HD1 LYS 41 -6.775 3.573 -7.118 337 HE2 LYS 41 HE2 LYS 41 -4.400 3.015 -6.856 338 HE3 LYS 41 HE1 LYS 41 -4.845 1.517 -6.052 339 HZ1 LYS 41 HZ1 LYS 41 -5.972 0.844 -8.129 340 HZ2 LYS 41 HZ2 LYS 41 -4.309 1.068 -8.315 341 HZ3 LYS 41 HZ3 LYS 41 -5.362 2.223 -8.896 342 H GLY 42 H GLY 42 -9.412 3.765 -1.894 343 HA2 GLY 42 HA2 GLY 42 -11.258 6.006 -2.104 344 HA3 GLY 42 HA1 GLY 42 -11.568 4.446 -1.323 345 H GLN 43 H GLN 43 -9.744 7.380 -1.028 346 HA GLN 43 HA GLN 43 -8.479 6.961 1.428 347 HB2 GLN 43 HB2 GLN 43 -9.326 9.682 0.501 348 HB3 GLN 43 HB1 GLN 43 -7.868 9.229 1.362 349 HG2 GLN 43 HG2 GLN 43 -7.121 8.014 -0.677 350 HG3 GLN 43 HG1 GLN 43 -8.526 8.644 -1.518 351 HE21 GLN 43 1HE2 GLN 43 -5.885 9.055 -2.246 352 HE22 GLN 43 2HE2 GLN 43 -5.551 10.740 -2.183 353 H HIS 44 H HIS 44 -9.522 6.495 3.298 354 HA HIS 44 HA HIS 44 -12.073 7.703 3.891 355 HB2 HIS 44 HB2 HIS 44 -12.095 6.385 5.956 356 HB3 HIS 44 HB1 HIS 44 -11.598 5.354 4.632 357 HD1 HIS 44 HD1 HIS 44 -9.401 4.052 5.014 358 HD2 HIS 44 HD2 HIS 44 -9.934 7.160 7.717 359 HE1 HIS 44 HE1 HIS 44 -7.588 3.816 6.720 360 H GLN 45 H GLN 45 -8.780 8.188 4.680 361 HA GLN 45 HA GLN 45 -9.288 10.169 6.729 362 HB2 GLN 45 HB2 GLN 45 -7.389 8.610 6.912 363 HB3 GLN 45 HB1 GLN 45 -6.746 9.206 5.399 364 HG2 GLN 45 HG2 GLN 45 -6.365 11.388 6.428 365 HG3 GLN 45 HG1 GLN 45 -6.990 10.768 7.958 366 HE21 GLN 45 1HE2 GLN 45 -4.340 11.791 7.304 367 HE22 GLN 45 2HE2 GLN 45 -3.226 10.529 7.673 368 H GLY 46 H GLY 46 -7.505 10.107 3.633 369 HA2 GLY 46 HA2 GLY 46 -8.213 11.619 1.866 370 HA3 GLY 46 HA1 GLY 46 -8.525 12.813 3.121 371 H GLU 47 H GLU 47 -6.180 11.404 1.063 372 HA GLU 47 HA GLU 47 -4.172 13.152 2.275 373 HB2 GLU 47 HB2 GLU 47 -2.435 11.777 1.226 374 HB3 GLU 47 HB1 GLU 47 -3.492 10.797 2.227 375 HG2 GLU 47 HG2 GLU 47 -4.625 9.934 0.331 376 HG3 GLU 47 HG1 GLU 47 -3.801 11.065 -0.736 377 H THR 48 H THR 48 -6.108 12.713 -0.262 378 HA THR 48 HA THR 48 -4.753 14.806 -1.864 379 HB THR 48 HB THR 48 -6.647 12.717 -2.968 380 HG1 THR 48 HG1 THR 48 -3.801 12.571 -2.690 381 HG21 THR 48 HG21 THR 48 -6.210 14.682 -4.377 382 HG22 THR 48 HG22 THR 48 -5.496 13.243 -5.101 383 HG23 THR 48 HG23 THR 48 -4.477 14.400 -4.248 384 H ASN 49 H ASN 49 -6.979 14.328 0.295 385 HA ASN 49 HA ASN 49 -9.013 16.027 -0.845 386 HB2 ASN 49 HB2 ASN 49 -9.482 13.382 0.582 387 HB3 ASN 49 HB1 ASN 49 -10.734 14.594 0.356 388 HD21 ASN 49 HD21 ASN 49 -8.762 12.165 -1.212 389 HD22 ASN 49 HD22 ASN 49 -9.653 12.133 -2.679 Start of MODEL 2 1 H1 ARG 1 HT1 ARG 1 8.265 -1.909 -14.216 2 H2 ARG 1 HT2 ARG 1 8.874 -1.368 -12.779 3 H3 ARG 1 HT3 ARG 1 9.920 -2.086 -13.870 4 HA ARG 1 HA ARG 1 10.208 0.288 -13.902 5 HB2 ARG 1 HB2 ARG 1 8.603 -0.609 -16.309 6 HB3 ARG 1 HB1 ARG 1 9.436 0.918 -16.221 7 HG2 ARG 1 HG2 ARG 1 10.746 -0.543 -17.559 8 HG3 ARG 1 HG1 ARG 1 11.587 -0.369 -16.024 9 HD2 ARG 1 HD2 ARG 1 11.569 -2.675 -16.901 10 HD3 ARG 1 HD1 ARG 1 10.818 -2.544 -15.314 11 HE ARG 1 HE ARG 1 8.778 -2.289 -17.156 12 HH11 ARG 1 HH11 ARG 1 11.169 -4.792 -16.382 13 HH12 ARG 1 HH12 ARG 1 10.120 -6.079 -16.778 14 HH21 ARG 1 HH21 ARG 1 7.355 -4.076 -17.676 15 HH22 ARG 1 HH22 ARG 1 7.947 -5.676 -17.521 16 H GLY 2 H GLY 2 9.339 1.785 -12.767 17 HA2 GLY 2 HA2 GLY 2 7.882 3.351 -11.998 18 HA3 GLY 2 HA1 GLY 2 7.101 3.233 -13.565 19 HA PRO 3 HA PRO 3 4.560 0.273 -10.818 20 HB2 PRO 3 HB2 PRO 3 5.340 -0.351 -8.337 21 HB3 PRO 3 HB1 PRO 3 6.052 -1.181 -9.727 22 HG2 PRO 3 HG2 PRO 3 7.151 1.088 -8.113 23 HG3 PRO 3 HG1 PRO 3 7.979 -0.370 -8.693 24 HD2 PRO 3 HD2 PRO 3 8.135 2.060 -9.937 25 HD3 PRO 3 HD1 PRO 3 8.312 0.508 -10.780 26 H ASP 4 H ASP 4 3.013 0.672 -8.976 27 HA ASP 4 HA ASP 4 3.036 3.520 -8.333 28 HB2 ASP 4 HB2 ASP 4 0.935 2.285 -9.212 29 HB3 ASP 4 HB1 ASP 4 0.900 1.558 -7.596 30 H LYS 5 H LYS 5 2.368 4.088 -6.136 31 HA LYS 5 HA LYS 5 4.218 2.976 -4.258 32 HB2 LYS 5 HB2 LYS 5 2.000 4.976 -3.889 33 HB3 LYS 5 HB1 LYS 5 3.265 4.644 -2.725 34 HG2 LYS 5 HG2 LYS 5 3.740 5.707 -5.496 35 HG3 LYS 5 HG1 LYS 5 3.606 6.720 -4.067 36 HD2 LYS 5 HD2 LYS 5 5.698 4.601 -4.603 37 HD3 LYS 5 HD1 LYS 5 5.945 6.344 -4.647 38 HE2 LYS 5 HE2 LYS 5 5.289 4.651 -2.234 39 HE3 LYS 5 HE1 LYS 5 6.805 5.465 -2.581 40 HZ1 LYS 5 HZ1 LYS 5 4.213 6.821 -2.024 41 HZ2 LYS 5 HZ2 LYS 5 5.669 7.598 -2.366 42 HZ3 LYS 5 HZ3 LYS 5 5.512 6.681 -0.973 43 H SER 6 H SER 6 0.723 2.932 -4.751 44 HA SER 6 HA SER 6 0.080 1.495 -2.420 45 HB2 SER 6 HB2 SER 6 -1.355 1.726 -5.069 46 HB3 SER 6 HB1 SER 6 -2.068 1.160 -3.556 47 HG SER 6 HG SER 6 -1.738 3.135 -2.658 48 H TYR 7 H TYR 7 1.259 0.658 -5.551 49 HA TYR 7 HA TYR 7 0.575 -2.135 -5.445 50 HB2 TYR 7 HB2 TYR 7 1.023 -0.761 -7.570 51 HB3 TYR 7 HB1 TYR 7 2.731 -0.914 -7.170 52 HD1 TYR 7 HD1 TYR 7 3.879 -2.987 -7.507 53 HD2 TYR 7 HD2 TYR 7 -0.304 -2.739 -8.144 54 HE1 TYR 7 HE1 TYR 7 3.917 -5.206 -8.621 55 HE2 TYR 7 HE2 TYR 7 -0.293 -4.928 -9.246 56 HH TYR 7 HH TYR 7 1.343 -6.336 -10.465 57 H LYS 8 H LYS 8 3.317 -0.174 -4.540 58 HA LYS 8 HA LYS 8 5.045 -2.280 -3.907 59 HB2 LYS 8 HB2 LYS 8 4.798 0.505 -2.787 60 HB3 LYS 8 HB1 LYS 8 6.034 -0.608 -2.236 61 HG2 LYS 8 HG2 LYS 8 5.686 0.331 -5.069 62 HG3 LYS 8 HG1 LYS 8 6.842 0.987 -3.908 63 HD2 LYS 8 HD2 LYS 8 7.773 -1.344 -3.683 64 HD3 LYS 8 HD1 LYS 8 6.754 -1.803 -5.047 65 HE2 LYS 8 HE2 LYS 8 8.995 -1.301 -5.791 66 HE3 LYS 8 HE1 LYS 8 7.857 -0.112 -6.428 67 HZ1 LYS 8 HZ1 LYS 8 8.564 1.433 -4.721 68 HZ2 LYS 8 HZ2 LYS 8 9.909 0.906 -5.583 69 HZ3 LYS 8 HZ3 LYS 8 9.598 0.284 -4.057 70 H ARG 9 H ARG 9 2.689 -0.489 -1.985 71 HA ARG 9 HA ARG 9 3.035 -1.853 0.450 72 HB2 ARG 9 HB2 ARG 9 0.550 -0.508 -0.629 73 HB3 ARG 9 HB1 ARG 9 0.763 -1.012 1.036 74 HG2 ARG 9 HG2 ARG 9 2.323 1.099 -0.428 75 HG3 ARG 9 HG1 ARG 9 1.117 1.365 0.825 76 HD2 ARG 9 HD2 ARG 9 3.794 -0.004 1.159 77 HD3 ARG 9 HD1 ARG 9 3.357 1.595 1.742 78 HE ARG 9 HE ARG 9 1.542 -0.193 2.835 79 HH11 ARG 9 HH11 ARG 9 4.994 0.511 3.065 80 HH12 ARG 9 HH12 ARG 9 5.146 -0.117 4.647 81 HH21 ARG 9 HH21 ARG 9 1.788 -1.085 5.001 82 HH22 ARG 9 HH22 ARG 9 3.331 -1.066 5.731 83 H LEU 10 H LEU 10 1.046 -2.502 -2.334 84 HA LEU 10 HA LEU 10 -0.398 -4.666 -1.323 85 HB2 LEU 10 HB2 LEU 10 -1.034 -3.606 -3.387 86 HB3 LEU 10 HB1 LEU 10 0.486 -4.050 -4.132 87 HG LEU 10 HG LEU 10 -0.141 -6.414 -3.986 88 HD11 LEU 10 HD11 LEU 10 -2.764 -5.379 -2.932 89 HD12 LEU 10 HD12 LEU 10 -1.568 -6.336 -2.057 90 HD13 LEU 10 HD13 LEU 10 -2.431 -7.044 -3.419 91 HD21 LEU 10 HD21 LEU 10 -1.864 -6.365 -5.725 92 HD22 LEU 10 HD22 LEU 10 -0.598 -5.171 -6.018 93 HD23 LEU 10 HD23 LEU 10 -2.161 -4.661 -5.375 94 H GLN 11 H GLN 11 2.669 -4.575 -3.117 95 HA GLN 11 HA GLN 11 3.233 -7.297 -3.255 96 HB2 GLN 11 HB2 GLN 11 5.208 -5.058 -2.792 97 HB3 GLN 11 HB1 GLN 11 5.605 -6.667 -3.365 98 HG2 GLN 11 HG2 GLN 11 4.333 -6.248 -5.398 99 HG3 GLN 11 HG1 GLN 11 3.925 -4.642 -4.801 100 HE21 GLN 11 1HE2 GLN 11 4.910 -3.587 -6.387 101 HE22 GLN 11 2HE2 GLN 11 6.623 -3.515 -6.641 102 H GLU 12 H GLU 12 4.206 -4.948 -0.816 103 HA GLU 12 HA GLU 12 5.496 -6.624 0.957 104 HB2 GLU 12 HB2 GLU 12 3.883 -4.136 1.461 105 HB3 GLU 12 HB1 GLU 12 4.883 -4.917 2.678 106 HG2 GLU 12 HG2 GLU 12 5.878 -3.831 0.059 107 HG3 GLU 12 HG1 GLU 12 5.984 -3.008 1.616 108 H CYS 13 H CYS 13 2.083 -5.668 0.918 109 HA CYS 13 HA CYS 13 1.372 -7.102 3.204 110 HB2 CYS 13 HB2 CYS 13 -0.009 -5.292 2.209 111 HB3 CYS 13 HB1 CYS 13 -0.443 -6.392 0.905 112 H GLN 14 H GLN 14 1.183 -8.038 -0.231 113 HA GLN 14 HA GLN 14 -0.009 -10.529 0.291 114 HB2 GLN 14 HB2 GLN 14 1.693 -9.734 -2.079 115 HB3 GLN 14 HB1 GLN 14 0.726 -11.198 -1.975 116 HG2 GLN 14 HG2 GLN 14 -1.293 -9.751 -1.717 117 HG3 GLN 14 HG1 GLN 14 -0.262 -8.359 -2.035 118 HE21 GLN 14 1HE2 GLN 14 0.662 -8.141 -4.119 119 HE22 GLN 14 2HE2 GLN 14 -0.018 -8.923 -5.489 120 H ARG 15 H ARG 15 3.383 -9.588 -0.065 121 HA ARG 15 HA ARG 15 4.417 -12.180 0.177 122 HB2 ARG 15 HB2 ARG 15 5.667 -9.511 0.656 123 HB3 ARG 15 HB1 ARG 15 6.554 -11.028 0.814 124 HG2 ARG 15 HG2 ARG 15 5.869 -11.600 -1.494 125 HG3 ARG 15 HG1 ARG 15 5.168 -9.989 -1.633 126 HD2 ARG 15 HD2 ARG 15 7.978 -10.567 -0.911 127 HD3 ARG 15 HD1 ARG 15 7.467 -10.257 -2.571 128 HE ARG 15 HE ARG 15 7.314 -8.331 -0.340 129 HH11 ARG 15 HH11 ARG 15 7.587 -8.964 -3.815 130 HH12 ARG 15 HH12 ARG 15 7.947 -7.358 -4.232 131 HH21 ARG 15 HH21 ARG 15 7.779 -6.084 -0.926 132 HH22 ARG 15 HH22 ARG 15 8.050 -5.700 -2.569 133 H ARG 16 H ARG 16 3.629 -9.792 2.634 134 HA ARG 16 HA ARG 16 4.716 -11.244 4.807 135 HB2 ARG 16 HB2 ARG 16 2.377 -9.317 4.790 136 HB3 ARG 16 HB1 ARG 16 3.152 -9.912 6.248 137 HG2 ARG 16 HG2 ARG 16 5.242 -8.846 5.556 138 HG3 ARG 16 HG1 ARG 16 4.449 -8.233 4.108 139 HD2 ARG 16 HD2 ARG 16 4.487 -6.461 5.728 140 HD3 ARG 16 HD1 ARG 16 2.828 -7.037 5.588 141 HE ARG 16 HE ARG 16 4.386 -8.255 7.675 142 HH11 ARG 16 HH11 ARG 16 2.091 -5.641 6.900 143 HH12 ARG 16 HH12 ARG 16 1.658 -5.391 8.528 144 HH21 ARG 16 HH21 ARG 16 3.761 -7.851 9.901 145 HH22 ARG 16 HH22 ARG 16 2.607 -6.648 10.249 146 H CYS 17 H CYS 17 1.598 -11.248 3.289 147 HA CYS 17 HA CYS 17 0.368 -13.182 4.916 148 HB2 CYS 17 HB2 CYS 17 -0.072 -12.506 2.019 149 HB3 CYS 17 HB1 CYS 17 -1.091 -13.605 2.933 150 H GLN 18 H GLN 18 2.449 -13.475 2.093 151 HA GLN 18 HA GLN 18 2.105 -16.267 1.735 152 HB2 GLN 18 HB2 GLN 18 4.473 -14.567 0.940 153 HB3 GLN 18 HB1 GLN 18 4.128 -16.186 0.349 154 HG2 GLN 18 HG2 GLN 18 2.024 -15.328 -0.613 155 HG3 GLN 18 HG1 GLN 18 2.466 -13.729 -0.066 156 HE21 GLN 18 1HE2 GLN 18 4.807 -16.017 -1.418 157 HE22 GLN 18 2HE2 GLN 18 5.089 -15.087 -2.840 158 H SER 19 H SER 19 3.992 -14.433 3.927 159 HA SER 19 HA SER 19 5.695 -16.650 4.608 160 HB2 SER 19 HB2 SER 19 5.349 -13.972 5.982 161 HB3 SER 19 HB1 SER 19 6.668 -15.117 6.238 162 HG SER 19 HG SER 19 6.292 -14.468 3.614 163 H GLU 20 H GLU 20 3.138 -14.749 6.274 164 HA GLU 20 HA GLU 20 3.132 -16.515 8.532 165 HB2 GLU 20 HB2 GLU 20 1.290 -14.246 7.854 166 HB3 GLU 20 HB1 GLU 20 1.425 -15.044 9.412 167 HG2 GLU 20 HG2 GLU 20 3.765 -14.300 9.543 168 HG3 GLU 20 HG1 GLU 20 3.545 -13.438 8.028 169 H GLN 21 H GLN 21 1.302 -16.390 5.577 170 HA GLN 21 HA GLN 21 -0.631 -18.227 6.792 171 HB2 GLN 21 HB2 GLN 21 -1.190 -16.077 4.757 172 HB3 GLN 21 HB1 GLN 21 -2.339 -17.306 5.253 173 HG2 GLN 21 HG2 GLN 21 -1.127 -15.190 7.014 174 HG3 GLN 21 HG1 GLN 21 -2.778 -15.219 6.394 175 HE21 GLN 21 1HE2 GLN 21 -1.801 -15.207 9.122 176 HE22 GLN 21 2HE2 GLN 21 -2.460 -16.622 9.871 177 H GLN 22 H GLN 22 -1.679 -19.638 5.366 178 HA GLN 22 HA GLN 22 -0.696 -20.065 2.707 179 HB2 GLN 22 HB2 GLN 22 -0.214 -22.479 3.138 180 HB3 GLN 22 HB1 GLN 22 0.940 -21.400 3.898 181 HG2 GLN 22 HG2 GLN 22 -0.201 -21.701 6.045 182 HG3 GLN 22 HG1 GLN 22 -1.366 -22.770 5.269 183 HE21 GLN 22 1HE2 GLN 22 0.676 -24.089 3.595 184 HE22 GLN 22 2HE2 GLN 22 1.537 -25.099 4.691 185 H GLY 23 H GLY 23 -1.973 -21.988 1.807 186 HA2 GLY 23 HA2 GLY 23 -4.008 -22.937 1.320 187 HA3 GLY 23 HA1 GLY 23 -4.333 -22.887 3.044 188 H GLN 24 H GLN 24 -6.395 -22.291 2.945 189 HA GLN 24 HA GLN 24 -7.531 -20.357 1.248 190 HB2 GLN 24 HB2 GLN 24 -8.775 -22.191 2.371 191 HB3 GLN 24 HB1 GLN 24 -8.551 -21.371 3.906 192 HG2 GLN 24 HG2 GLN 24 -10.785 -21.003 3.043 193 HG3 GLN 24 HG1 GLN 24 -9.883 -19.490 3.080 194 HE21 GLN 24 1HE2 GLN 24 -9.393 -18.472 1.180 195 HE22 GLN 24 2HE2 GLN 24 -10.040 -18.957 -0.346 196 H ARG 25 H ARG 25 -6.146 -20.203 4.464 197 HA ARG 25 HA ARG 25 -7.061 -17.611 5.094 198 HB2 ARG 25 HB2 ARG 25 -4.672 -19.089 6.149 199 HB3 ARG 25 HB1 ARG 25 -5.229 -17.542 6.769 200 HG2 ARG 25 HG2 ARG 25 -7.459 -18.673 7.179 201 HG3 ARG 25 HG1 ARG 25 -6.623 -20.196 6.878 202 HD2 ARG 25 HD2 ARG 25 -5.927 -18.138 8.918 203 HD3 ARG 25 HD1 ARG 25 -6.714 -19.686 9.260 204 HE ARG 25 HE ARG 25 -4.236 -20.028 7.914 205 HH11 ARG 25 HH11 ARG 25 -5.524 -19.387 11.124 206 HH12 ARG 25 HH12 ARG 25 -4.143 -19.961 11.943 207 HH21 ARG 25 HH21 ARG 25 -2.377 -20.815 9.006 208 HH22 ARG 25 HH22 ARG 25 -2.302 -20.790 10.716 209 H LEU 26 H LEU 26 -4.226 -18.742 3.358 210 HA LEU 26 HA LEU 26 -3.020 -16.186 3.139 211 HB2 LEU 26 HB2 LEU 26 -1.636 -17.978 2.679 212 HB3 LEU 26 HB1 LEU 26 -2.736 -18.703 1.515 213 HG LEU 26 HG LEU 26 -2.166 -16.906 -0.089 214 HD11 LEU 26 HD11 LEU 26 -0.311 -15.385 0.384 215 HD12 LEU 26 HD12 LEU 26 -0.285 -15.948 2.059 216 HD13 LEU 26 HD13 LEU 26 -1.703 -15.107 1.424 217 HD21 LEU 26 HD21 LEU 26 0.216 -18.296 1.102 218 HD22 LEU 26 HD22 LEU 26 0.161 -17.532 -0.483 219 HD23 LEU 26 HD23 LEU 26 -0.858 -18.931 -0.148 220 H GLN 27 H GLN 27 -5.316 -17.938 1.168 221 HA GLN 27 HA GLN 27 -5.494 -16.155 -0.975 222 HB2 GLN 27 HB2 GLN 27 -7.707 -17.848 0.214 223 HB3 GLN 27 HB1 GLN 27 -7.725 -17.116 -1.382 224 HG2 GLN 27 HG2 GLN 27 -5.801 -19.228 -0.445 225 HG3 GLN 27 HG1 GLN 27 -7.211 -19.500 -1.465 226 HE21 GLN 27 1HE2 GLN 27 -7.148 -18.855 -3.602 227 HE22 GLN 27 2HE2 GLN 27 -5.671 -18.431 -4.388 228 H GLU 28 H GLU 28 -7.350 -16.297 2.050 229 HA GLU 28 HA GLU 28 -8.905 -14.006 1.659 230 HB2 GLU 28 HB2 GLU 28 -7.884 -15.198 4.231 231 HB3 GLU 28 HB1 GLU 28 -9.185 -14.025 4.097 232 HG2 GLU 28 HG2 GLU 28 -9.173 -16.811 2.988 233 HG3 GLU 28 HG1 GLU 28 -10.053 -16.261 4.409 234 H CYS 29 H CYS 29 -5.809 -14.453 3.316 235 HA CYS 29 HA CYS 29 -5.496 -11.878 4.312 236 HB2 CYS 29 HB2 CYS 29 -4.136 -13.901 4.933 237 HB3 CYS 29 HB1 CYS 29 -3.261 -13.710 3.423 238 H GLN 30 H GLN 30 -4.176 -13.240 1.273 239 HA GLN 30 HA GLN 30 -3.094 -10.730 0.494 240 HB2 GLN 30 HB2 GLN 30 -2.677 -11.758 -1.709 241 HB3 GLN 30 HB1 GLN 30 -2.105 -12.746 -0.375 242 HG2 GLN 30 HG2 GLN 30 -4.055 -14.172 -0.582 243 HG3 GLN 30 HG1 GLN 30 -4.657 -13.181 -1.912 244 HE21 GLN 30 1HE2 GLN 30 -1.284 -13.963 -1.467 245 HE22 GLN 30 2HE2 GLN 30 -1.154 -15.018 -2.811 246 H GLN 31 H GLN 31 -6.223 -12.198 0.021 247 HA GLN 31 HA GLN 31 -7.153 -10.527 -2.049 248 HB2 GLN 31 HB2 GLN 31 -8.284 -12.613 -1.280 249 HB3 GLN 31 HB1 GLN 31 -8.719 -11.793 0.210 250 HG2 GLN 31 HG2 GLN 31 -10.045 -10.185 -1.083 251 HG3 GLN 31 HG1 GLN 31 -9.633 -11.059 -2.557 252 HE21 GLN 31 1HE2 GLN 31 -12.223 -10.569 -1.375 253 HE22 GLN 31 2HE2 GLN 31 -12.938 -12.105 -1.097 254 H ARG 32 H ARG 32 -7.140 -10.278 1.442 255 HA ARG 32 HA ARG 32 -8.526 -7.836 1.709 256 HB2 ARG 32 HB2 ARG 32 -6.383 -9.036 3.453 257 HB3 ARG 32 HB1 ARG 32 -7.385 -7.670 3.913 258 HG2 ARG 32 HG2 ARG 32 -9.363 -9.049 3.843 259 HG3 ARG 32 HG1 ARG 32 -8.421 -10.409 3.229 260 HD2 ARG 32 HD2 ARG 32 -7.079 -10.361 5.277 261 HD3 ARG 32 HD1 ARG 32 -8.115 -9.082 5.914 262 HE ARG 32 HE ARG 32 -9.924 -10.883 5.427 263 HH11 ARG 32 HH11 ARG 32 -6.741 -11.355 6.840 264 HH12 ARG 32 HH12 ARG 32 -7.161 -12.724 7.749 265 HH21 ARG 32 HH21 ARG 32 -10.537 -12.741 6.639 266 HH22 ARG 32 HH22 ARG 32 -9.408 -13.566 7.612 267 H CYS 33 H CYS 33 -5.151 -8.574 1.121 268 HA CYS 33 HA CYS 33 -4.120 -5.950 1.320 269 HB2 CYS 33 HB2 CYS 33 -3.162 -8.218 -0.432 270 HB3 CYS 33 HB1 CYS 33 -2.226 -6.808 0.043 271 H GLN 34 H GLN 34 -5.475 -7.846 -1.321 272 HA GLN 34 HA GLN 34 -5.083 -5.948 -3.346 273 HB2 GLN 34 HB2 GLN 34 -7.045 -8.222 -3.087 274 HB3 GLN 34 HB1 GLN 34 -6.885 -7.247 -4.544 275 HG2 GLN 34 HG2 GLN 34 -4.509 -8.598 -3.347 276 HG3 GLN 34 HG1 GLN 34 -5.622 -9.489 -4.371 277 HE21 GLN 34 1HE2 GLN 34 -5.049 -6.096 -5.054 278 HE22 GLN 34 2HE2 GLN 34 -4.083 -6.374 -6.443 279 H GLN 35 H GLN 35 -7.729 -6.561 -1.122 280 HA GLN 35 HA GLN 35 -9.530 -4.676 -2.112 281 HB2 GLN 35 HB2 GLN 35 -9.089 -5.480 0.771 282 HB3 GLN 35 HB1 GLN 35 -10.478 -4.583 0.184 283 HG2 GLN 35 HG2 GLN 35 -9.737 -7.436 -0.435 284 HG3 GLN 35 HG1 GLN 35 -11.111 -6.864 0.509 285 HE21 GLN 35 1HE2 GLN 35 -9.869 -7.485 -2.653 286 HE22 GLN 35 2HE2 GLN 35 -11.322 -7.102 -3.492 287 H GLU 36 H GLU 36 -6.998 -4.333 0.356 288 HA GLU 36 HA GLU 36 -7.283 -1.630 0.907 289 HB2 GLU 36 HB2 GLU 36 -4.799 -3.325 0.848 290 HB3 GLU 36 HB1 GLU 36 -4.822 -1.675 1.434 291 HG2 GLU 36 HG2 GLU 36 -6.537 -2.410 3.122 292 HG3 GLU 36 HG1 GLU 36 -6.241 -4.055 2.570 293 H TYR 37 H TYR 37 -5.209 -3.184 -1.463 294 HA TYR 37 HA TYR 37 -4.043 -0.972 -2.628 295 HB2 TYR 37 HB2 TYR 37 -3.259 -3.196 -3.129 296 HB3 TYR 37 HB1 TYR 37 -4.792 -3.616 -3.883 297 HD1 TYR 37 HD1 TYR 37 -2.085 -1.068 -4.220 298 HD2 TYR 37 HD2 TYR 37 -4.871 -3.582 -6.205 299 HE1 TYR 37 HE1 TYR 37 -1.194 -0.337 -6.385 300 HE2 TYR 37 HE2 TYR 37 -3.978 -2.853 -8.381 301 HH TYR 37 HH TYR 37 -1.068 -1.120 -8.703 302 H GLN 38 H GLN 38 -6.994 -2.634 -3.694 303 HA GLN 38 HA GLN 38 -7.631 -1.003 -5.874 304 HB2 GLN 38 HB2 GLN 38 -9.465 -2.472 -3.986 305 HB3 GLN 38 HB1 GLN 38 -9.971 -1.774 -5.514 306 HG2 GLN 38 HG2 GLN 38 -8.504 -3.260 -6.711 307 HG3 GLN 38 HG1 GLN 38 -7.890 -3.913 -5.194 308 HE21 GLN 38 1HE2 GLN 38 -9.200 -5.230 -7.392 309 HE22 GLN 38 2HE2 GLN 38 -10.588 -6.024 -6.747 310 H ARG 39 H ARG 39 -8.578 -0.731 -2.519 311 HA ARG 39 HA ARG 39 -10.218 1.526 -2.925 312 HB2 ARG 39 HB2 ARG 39 -8.969 0.497 -0.379 313 HB3 ARG 39 HB1 ARG 39 -10.270 1.684 -0.479 314 HG2 ARG 39 HG2 ARG 39 -11.757 0.101 -1.438 315 HG3 ARG 39 HG1 ARG 39 -10.466 -1.085 -1.617 316 HD2 ARG 39 HD2 ARG 39 -10.247 -1.053 0.883 317 HD3 ARG 39 HD1 ARG 39 -11.724 -0.082 0.920 318 HE ARG 39 HE ARG 39 -12.196 -2.308 -0.657 319 HH11 ARG 39 HH11 ARG 39 -11.554 -1.593 2.755 320 HH12 ARG 39 HH12 ARG 39 -12.377 -2.953 3.352 321 HH21 ARG 39 HH21 ARG 39 -13.365 -4.204 0.169 322 HH22 ARG 39 HH22 ARG 39 -13.424 -4.474 1.840 323 H GLU 40 H GLU 40 -6.806 1.206 -1.895 324 HA GLU 40 HA GLU 40 -6.688 4.037 -1.492 325 HB2 GLU 40 HB2 GLU 40 -4.293 3.800 -1.026 326 HB3 GLU 40 HB1 GLU 40 -5.244 2.665 -0.094 327 HG2 GLU 40 HG2 GLU 40 -4.580 0.863 -1.521 328 HG3 GLU 40 HG1 GLU 40 -3.754 1.985 -2.607 329 H LYS 41 H LYS 41 -6.585 2.215 -4.291 330 HA LYS 41 HA LYS 41 -4.969 3.934 -5.831 331 HB2 LYS 41 HB2 LYS 41 -7.312 2.183 -6.611 332 HB3 LYS 41 HB1 LYS 41 -6.337 3.081 -7.773 333 HG2 LYS 41 HG2 LYS 41 -4.370 1.811 -7.098 334 HG3 LYS 41 HG1 LYS 41 -5.330 0.952 -5.896 335 HD2 LYS 41 HD2 LYS 41 -5.035 -0.418 -7.885 336 HD3 LYS 41 HD1 LYS 41 -6.731 0.033 -7.694 337 HE2 LYS 41 HE2 LYS 41 -6.499 1.756 -9.362 338 HE3 LYS 41 HE1 LYS 41 -4.767 1.447 -9.474 339 HZ1 LYS 41 HZ1 LYS 41 -6.923 -0.473 -10.209 340 HZ2 LYS 41 HZ2 LYS 41 -5.280 -0.760 -10.380 341 HZ3 LYS 41 HZ3 LYS 41 -6.026 0.440 -11.287 342 H GLY 42 H GLY 42 -8.291 4.037 -4.798 343 HA2 GLY 42 HA2 GLY 42 -8.570 6.673 -6.060 344 HA3 GLY 42 HA1 GLY 42 -9.914 5.656 -5.532 345 H GLN 43 H GLN 43 -10.530 5.653 -3.439 346 HA GLN 43 HA GLN 43 -8.986 7.297 -1.567 347 HB2 GLN 43 HB2 GLN 43 -11.998 7.144 -1.721 348 HB3 GLN 43 HB1 GLN 43 -11.075 8.015 -0.513 349 HG2 GLN 43 HG2 GLN 43 -10.169 9.428 -2.364 350 HG3 GLN 43 HG1 GLN 43 -11.323 8.632 -3.437 351 HE21 GLN 43 1HE2 GLN 43 -13.516 8.963 -3.113 352 HE22 GLN 43 2HE2 GLN 43 -14.116 10.304 -2.197 353 H HIS 44 H HIS 44 -8.177 5.879 -0.177 354 HA HIS 44 HA HIS 44 -9.473 3.378 0.393 355 HB2 HIS 44 HB2 HIS 44 -6.952 3.757 0.515 356 HB3 HIS 44 HB1 HIS 44 -7.233 4.724 1.951 357 HD1 HIS 44 HD1 HIS 44 -6.577 1.268 0.900 358 HD2 HIS 44 HD2 HIS 44 -8.340 3.173 4.156 359 HE1 HIS 44 HE1 HIS 44 -6.677 -0.424 2.733 360 H GLN 45 H GLN 45 -8.808 6.346 2.099 361 HA GLN 45 HA GLN 45 -11.347 6.175 3.454 362 HB2 GLN 45 HB2 GLN 45 -9.711 5.261 5.059 363 HB3 GLN 45 HB1 GLN 45 -8.690 6.671 4.829 364 HG2 GLN 45 HG2 GLN 45 -10.425 8.087 5.779 365 HG3 GLN 45 HG1 GLN 45 -11.459 6.680 6.010 366 HE21 GLN 45 1HE2 GLN 45 -10.928 5.200 7.596 367 HE22 GLN 45 2HE2 GLN 45 -9.804 5.569 8.859 368 H GLY 46 H GLY 46 -12.111 7.849 2.245 369 HA2 GLY 46 HA2 GLY 46 -10.504 10.279 2.385 370 HA3 GLY 46 HA1 GLY 46 -11.319 9.793 0.902 371 H GLU 47 H GLU 47 -12.443 11.686 0.846 372 HA GLU 47 HA GLU 47 -14.458 12.034 2.934 373 HB2 GLU 47 HB2 GLU 47 -13.320 14.093 1.019 374 HB3 GLU 47 HB1 GLU 47 -14.607 14.394 2.174 375 HG2 GLU 47 HG2 GLU 47 -13.020 13.847 4.003 376 HG3 GLU 47 HG1 GLU 47 -11.745 13.702 2.799 377 H THR 48 H THR 48 -16.538 12.862 2.059 378 HA THR 48 HA THR 48 -17.203 11.296 -0.293 379 HB THR 48 HB THR 48 -19.104 12.932 1.408 380 HG1 THR 48 HG1 THR 48 -17.481 10.928 2.183 381 HG21 THR 48 HG21 THR 48 -20.681 11.147 0.794 382 HG22 THR 48 HG22 THR 48 -19.402 10.304 -0.079 383 HG23 THR 48 HG23 THR 48 -19.981 11.867 -0.657 384 H ASN 49 H ASN 49 -16.033 14.226 0.309 385 HA ASN 49 HA ASN 49 -15.672 16.119 -0.788 386 HB2 ASN 49 HB2 ASN 49 -17.054 14.701 -3.080 387 HB3 ASN 49 HB1 ASN 49 -16.395 16.327 -3.227 388 HD21 ASN 49 HD21 ASN 49 -14.177 16.602 -3.223 389 HD22 ASN 49 HD22 ASN 49 -13.076 15.301 -3.450 Start of MODEL 3 1 H1 ARG 1 HT1 ARG 1 13.346 1.825 -13.515 2 H2 ARG 1 HT2 ARG 1 12.846 2.521 -12.040 3 H3 ARG 1 HT3 ARG 1 12.666 3.375 -13.456 4 HA ARG 1 HA ARG 1 11.067 1.874 -14.280 5 HB2 ARG 1 HB2 ARG 1 10.183 0.084 -12.861 6 HB3 ARG 1 HB1 ARG 1 11.897 -0.166 -13.134 7 HG2 ARG 1 HG2 ARG 1 12.402 0.671 -10.928 8 HG3 ARG 1 HG1 ARG 1 10.701 1.042 -10.658 9 HD2 ARG 1 HD2 ARG 1 10.210 -1.380 -11.033 10 HD3 ARG 1 HD1 ARG 1 11.950 -1.666 -11.029 11 HE ARG 1 HE ARG 1 11.696 -0.412 -8.749 12 HH11 ARG 1 HH11 ARG 1 9.776 -3.028 -10.103 13 HH12 ARG 1 HH12 ARG 1 9.156 -3.552 -8.605 14 HH21 ARG 1 HH21 ARG 1 10.906 -1.149 -6.688 15 HH22 ARG 1 HH22 ARG 1 9.850 -2.491 -6.611 16 H GLY 2 H GLY 2 8.709 1.782 -13.174 17 HA2 GLY 2 HA2 GLY 2 8.539 3.944 -11.219 18 HA3 GLY 2 HA1 GLY 2 7.634 4.062 -12.724 19 HA PRO 3 HA PRO 3 5.559 0.641 -10.160 20 HB2 PRO 3 HB2 PRO 3 6.192 0.379 -7.553 21 HB3 PRO 3 HB1 PRO 3 7.126 -0.421 -8.820 22 HG2 PRO 3 HG2 PRO 3 7.788 1.999 -7.226 23 HG3 PRO 3 HG1 PRO 3 8.861 0.753 -7.877 24 HD2 PRO 3 HD2 PRO 3 8.397 3.284 -8.993 25 HD3 PRO 3 HD1 PRO 3 9.171 1.917 -9.806 26 H ASP 4 H ASP 4 3.711 0.753 -8.710 27 HA ASP 4 HA ASP 4 3.001 3.527 -8.079 28 HB2 ASP 4 HB2 ASP 4 1.447 2.104 -9.489 29 HB3 ASP 4 HB1 ASP 4 1.246 1.110 -8.034 30 H LYS 5 H LYS 5 1.768 3.854 -6.164 31 HA LYS 5 HA LYS 5 3.240 2.991 -3.854 32 HB2 LYS 5 HB2 LYS 5 0.681 4.593 -4.014 33 HB3 LYS 5 HB1 LYS 5 1.622 4.347 -2.556 34 HG2 LYS 5 HG2 LYS 5 3.501 5.554 -3.598 35 HG3 LYS 5 HG1 LYS 5 2.492 5.844 -5.019 36 HD2 LYS 5 HD2 LYS 5 0.880 7.066 -3.641 37 HD3 LYS 5 HD1 LYS 5 1.853 6.747 -2.205 38 HE2 LYS 5 HE2 LYS 5 3.707 8.000 -3.212 39 HE3 LYS 5 HE1 LYS 5 2.706 8.350 -4.614 40 HZ1 LYS 5 HZ1 LYS 5 2.146 9.219 -1.825 41 HZ2 LYS 5 HZ2 LYS 5 1.184 9.560 -3.153 42 HZ3 LYS 5 HZ3 LYS 5 2.730 10.211 -3.058 43 H SER 6 H SER 6 -0.037 2.416 -5.102 44 HA SER 6 HA SER 6 -0.871 0.891 -2.896 45 HB2 SER 6 HB2 SER 6 -1.940 0.960 -5.704 46 HB3 SER 6 HB1 SER 6 -2.811 0.470 -4.245 47 HG SER 6 HG SER 6 -2.187 2.606 -3.449 48 H TYR 7 H TYR 7 0.693 0.217 -5.923 49 HA TYR 7 HA TYR 7 0.258 -2.607 -5.739 50 HB2 TYR 7 HB2 TYR 7 0.657 -1.245 -7.885 51 HB3 TYR 7 HB1 TYR 7 2.362 -1.300 -7.445 52 HD1 TYR 7 HD1 TYR 7 3.628 -3.345 -7.656 53 HD2 TYR 7 HD2 TYR 7 -0.544 -3.279 -8.449 54 HE1 TYR 7 HE1 TYR 7 3.782 -5.590 -8.686 55 HE2 TYR 7 HE2 TYR 7 -0.409 -5.498 -9.468 56 HH TYR 7 HH TYR 7 1.124 -6.985 -10.425 57 H LYS 8 H LYS 8 2.715 -0.325 -4.782 58 HA LYS 8 HA LYS 8 4.708 -2.185 -4.173 59 HB2 LYS 8 HB2 LYS 8 5.130 0.216 -4.485 60 HB3 LYS 8 HB1 LYS 8 4.205 0.563 -3.035 61 HG2 LYS 8 HG2 LYS 8 5.846 -0.528 -1.665 62 HG3 LYS 8 HG1 LYS 8 6.722 -1.068 -3.096 63 HD2 LYS 8 HD2 LYS 8 7.834 0.862 -2.129 64 HD3 LYS 8 HD1 LYS 8 7.155 1.259 -3.708 65 HE2 LYS 8 HE2 LYS 8 6.764 3.084 -2.172 66 HE3 LYS 8 HE1 LYS 8 5.235 2.330 -2.584 67 HZ1 LYS 8 HZ1 LYS 8 5.377 2.826 -0.251 68 HZ2 LYS 8 HZ2 LYS 8 6.759 1.873 -0.067 69 HZ3 LYS 8 HZ3 LYS 8 5.286 1.165 -0.455 70 H ARG 9 H ARG 9 2.200 -0.599 -2.158 71 HA ARG 9 HA ARG 9 2.870 -1.993 0.198 72 HB2 ARG 9 HB2 ARG 9 0.678 -1.322 1.096 73 HB3 ARG 9 HB1 ARG 9 1.449 0.021 0.270 74 HG2 ARG 9 HG2 ARG 9 0.037 -0.314 -1.649 75 HG3 ARG 9 HG1 ARG 9 -0.711 -1.710 -0.887 76 HD2 ARG 9 HD2 ARG 9 -0.793 1.087 0.238 77 HD3 ARG 9 HD1 ARG 9 -2.070 0.379 -0.745 78 HE ARG 9 HE ARG 9 -1.737 -1.389 1.266 79 HH11 ARG 9 HH11 ARG 9 -2.457 2.110 1.170 80 HH12 ARG 9 HH12 ARG 9 -3.247 2.114 2.661 81 HH21 ARG 9 HH21 ARG 9 -2.919 -1.348 3.305 82 HH22 ARG 9 HH22 ARG 9 -3.559 0.100 3.893 83 H LEU 10 H LEU 10 0.870 -2.810 -2.527 84 HA LEU 10 HA LEU 10 -0.441 -5.046 -1.477 85 HB2 LEU 10 HB2 LEU 10 -1.130 -3.996 -3.542 86 HB3 LEU 10 HB1 LEU 10 0.397 -4.407 -4.293 87 HG LEU 10 HG LEU 10 -0.166 -6.780 -4.150 88 HD11 LEU 10 HD11 LEU 10 -2.796 -5.817 -3.047 89 HD12 LEU 10 HD12 LEU 10 -1.560 -6.747 -2.196 90 HD13 LEU 10 HD13 LEU 10 -2.430 -7.473 -3.547 91 HD21 LEU 10 HD21 LEU 10 -2.259 -5.075 -5.480 92 HD22 LEU 10 HD22 LEU 10 -1.922 -6.769 -5.842 93 HD23 LEU 10 HD23 LEU 10 -0.695 -5.537 -6.155 94 H GLN 11 H GLN 11 2.587 -4.764 -3.252 95 HA GLN 11 HA GLN 11 3.302 -7.454 -3.352 96 HB2 GLN 11 HB2 GLN 11 4.988 -4.976 -3.153 97 HB3 GLN 11 HB1 GLN 11 5.669 -6.578 -3.391 98 HG2 GLN 11 HG2 GLN 11 4.572 -6.804 -5.485 99 HG3 GLN 11 HG1 GLN 11 3.655 -5.318 -5.223 100 HE21 GLN 11 1HE2 GLN 11 4.635 -3.400 -5.489 101 HE22 GLN 11 2HE2 GLN 11 6.183 -3.220 -6.256 102 H GLU 12 H GLU 12 4.295 -5.029 -0.960 103 HA GLU 12 HA GLU 12 5.601 -6.749 0.781 104 HB2 GLU 12 HB2 GLU 12 4.167 -4.154 1.284 105 HB3 GLU 12 HB1 GLU 12 5.149 -4.972 2.493 106 HG2 GLU 12 HG2 GLU 12 6.131 -4.029 -0.189 107 HG3 GLU 12 HG1 GLU 12 6.352 -3.170 1.335 108 H CYS 13 H CYS 13 2.200 -5.840 0.644 109 HA CYS 13 HA CYS 13 1.446 -7.102 3.038 110 HB2 CYS 13 HB2 CYS 13 0.100 -5.355 1.828 111 HB3 CYS 13 HB1 CYS 13 -0.318 -6.583 0.642 112 H GLN 14 H GLN 14 1.326 -8.212 -0.339 113 HA GLN 14 HA GLN 14 0.231 -10.726 0.271 114 HB2 GLN 14 HB2 GLN 14 1.879 -9.871 -2.100 115 HB3 GLN 14 HB1 GLN 14 1.107 -11.443 -1.965 116 HG2 GLN 14 HG2 GLN 14 -1.077 -10.285 -1.828 117 HG3 GLN 14 HG1 GLN 14 -0.237 -8.756 -2.095 118 HE21 GLN 14 1HE2 GLN 14 0.754 -8.396 -4.090 119 HE22 GLN 14 2HE2 GLN 14 0.297 -9.259 -5.507 120 H ARG 15 H ARG 15 3.600 -9.671 -0.127 121 HA ARG 15 HA ARG 15 4.829 -12.145 0.153 122 HB2 ARG 15 HB2 ARG 15 5.794 -9.443 1.019 123 HB3 ARG 15 HB1 ARG 15 6.788 -10.891 1.066 124 HG2 ARG 15 HG2 ARG 15 6.339 -11.118 -1.398 125 HG3 ARG 15 HG1 ARG 15 5.635 -9.501 -1.313 126 HD2 ARG 15 HD2 ARG 15 7.692 -8.653 -0.375 127 HD3 ARG 15 HD1 ARG 15 8.358 -10.292 -0.450 128 HE ARG 15 HE ARG 15 7.419 -9.129 -2.920 129 HH11 ARG 15 HH11 ARG 15 10.211 -9.929 -0.863 130 HH12 ARG 15 HH12 ARG 15 11.358 -9.786 -2.101 131 HH21 ARG 15 HH21 ARG 15 9.081 -8.875 -4.641 132 HH22 ARG 15 HH22 ARG 15 10.709 -9.138 -4.284 133 H ARG 16 H ARG 16 3.776 -9.905 2.654 134 HA ARG 16 HA ARG 16 4.713 -11.465 4.815 135 HB2 ARG 16 HB2 ARG 16 2.544 -9.385 4.667 136 HB3 ARG 16 HB1 ARG 16 3.063 -10.139 6.168 137 HG2 ARG 16 HG2 ARG 16 5.279 -9.270 5.877 138 HG3 ARG 16 HG1 ARG 16 4.833 -8.564 4.322 139 HD2 ARG 16 HD2 ARG 16 4.804 -6.894 6.131 140 HD3 ARG 16 HD1 ARG 16 3.220 -7.133 5.393 141 HE ARG 16 HE ARG 16 3.494 -8.821 7.614 142 HH11 ARG 16 HH11 ARG 16 3.045 -5.389 6.874 143 HH12 ARG 16 HH12 ARG 16 2.187 -5.063 8.305 144 HH21 ARG 16 HH21 ARG 16 2.292 -8.353 9.558 145 HH22 ARG 16 HH22 ARG 16 1.771 -6.762 9.858 146 H CYS 17 H CYS 17 1.581 -11.222 3.267 147 HA CYS 17 HA CYS 17 0.218 -13.106 4.787 148 HB2 CYS 17 HB2 CYS 17 -0.077 -12.373 1.888 149 HB3 CYS 17 HB1 CYS 17 -1.168 -13.474 2.714 150 H GLN 18 H GLN 18 2.395 -13.596 2.080 151 HA GLN 18 HA GLN 18 1.825 -16.380 1.874 152 HB2 GLN 18 HB2 GLN 18 4.179 -14.840 0.773 153 HB3 GLN 18 HB1 GLN 18 3.747 -16.480 0.315 154 HG2 GLN 18 HG2 GLN 18 1.519 -15.519 -0.422 155 HG3 GLN 18 HG1 GLN 18 2.253 -13.935 -0.230 156 HE21 GLN 18 1HE2 GLN 18 3.927 -13.309 -1.686 157 HE22 GLN 18 2HE2 GLN 18 4.178 -14.181 -3.142 158 H SER 19 H SER 19 3.611 -14.644 4.092 159 HA SER 19 HA SER 19 5.311 -16.932 4.738 160 HB2 SER 19 HB2 SER 19 6.377 -14.696 4.535 161 HB3 SER 19 HB1 SER 19 5.339 -14.100 5.823 162 HG SER 19 HG SER 19 7.614 -15.613 5.925 163 H GLU 20 H GLU 20 2.988 -14.657 6.256 164 HA GLU 20 HA GLU 20 2.870 -16.074 8.720 165 HB2 GLU 20 HB2 GLU 20 1.195 -13.862 7.575 166 HB3 GLU 20 HB1 GLU 20 1.198 -14.389 9.253 167 HG2 GLU 20 HG2 GLU 20 3.636 -13.404 7.840 168 HG3 GLU 20 HG1 GLU 20 2.554 -12.336 8.710 169 H GLN 21 H GLN 21 1.061 -16.210 5.697 170 HA GLN 21 HA GLN 21 -0.919 -17.904 7.030 171 HB2 GLN 21 HB2 GLN 21 -1.387 -16.047 4.693 172 HB3 GLN 21 HB1 GLN 21 -2.588 -17.072 5.461 173 HG2 GLN 21 HG2 GLN 21 -1.172 -14.751 6.752 174 HG3 GLN 21 HG1 GLN 21 -2.806 -14.721 6.112 175 HE21 GLN 21 1HE2 GLN 21 -1.893 -14.167 8.754 176 HE22 GLN 21 2HE2 GLN 21 -2.691 -15.264 9.814 177 H GLN 22 H GLN 22 -2.058 -19.266 5.264 178 HA GLN 22 HA GLN 22 -0.473 -19.985 2.997 179 HB2 GLN 22 HB2 GLN 22 -0.321 -22.377 3.774 180 HB3 GLN 22 HB1 GLN 22 0.786 -21.255 4.546 181 HG2 GLN 22 HG2 GLN 22 -0.769 -21.120 6.472 182 HG3 GLN 22 HG1 GLN 22 -1.805 -22.301 5.688 183 HE21 GLN 22 1HE2 GLN 22 0.405 -23.908 4.711 184 HE22 GLN 22 2HE2 GLN 22 1.055 -24.714 6.084 185 H GLY 23 H GLY 23 -1.531 -21.505 1.725 186 HA2 GLY 23 HA2 GLY 23 -3.351 -22.304 0.579 187 HA3 GLY 23 HA1 GLY 23 -3.865 -22.892 2.147 188 H GLN 24 H GLN 24 -5.856 -22.427 2.495 189 HA GLN 24 HA GLN 24 -7.400 -20.548 1.148 190 HB2 GLN 24 HB2 GLN 24 -7.809 -22.109 3.678 191 HB3 GLN 24 HB1 GLN 24 -9.007 -20.966 3.110 192 HG2 GLN 24 HG2 GLN 24 -9.616 -23.215 2.478 193 HG3 GLN 24 HG1 GLN 24 -9.260 -22.261 1.054 194 HE21 GLN 24 1HE2 GLN 24 -8.945 -24.085 -0.156 195 HE22 GLN 24 2HE2 GLN 24 -7.562 -25.094 -0.017 196 H ARG 25 H ARG 25 -5.769 -20.426 4.260 197 HA ARG 25 HA ARG 25 -6.846 -17.945 5.068 198 HB2 ARG 25 HB2 ARG 25 -4.361 -19.389 5.910 199 HB3 ARG 25 HB1 ARG 25 -4.929 -17.897 6.656 200 HG2 ARG 25 HG2 ARG 25 -7.081 -19.038 7.136 201 HG3 ARG 25 HG1 ARG 25 -6.362 -20.533 6.552 202 HD2 ARG 25 HD2 ARG 25 -5.238 -18.837 8.708 203 HD3 ARG 25 HD1 ARG 25 -6.281 -20.233 9.018 204 HE ARG 25 HE ARG 25 -4.396 -21.376 7.580 205 HH11 ARG 25 HH11 ARG 25 -3.965 -19.040 10.225 206 HH12 ARG 25 HH12 ARG 25 -2.470 -19.681 10.715 207 HH21 ARG 25 HH21 ARG 25 -2.339 -22.245 8.278 208 HH22 ARG 25 HH22 ARG 25 -1.519 -21.536 9.577 209 H LEU 26 H LEU 26 -4.125 -18.834 3.097 210 HA LEU 26 HA LEU 26 -2.962 -16.248 2.989 211 HB2 LEU 26 HB2 LEU 26 -1.576 -18.011 2.342 212 HB3 LEU 26 HB1 LEU 26 -2.739 -18.665 1.205 213 HG LEU 26 HG LEU 26 -2.263 -16.832 -0.343 214 HD11 LEU 26 HD11 LEU 26 -0.369 -15.836 1.784 215 HD12 LEU 26 HD12 LEU 26 -1.843 -15.048 1.184 216 HD13 LEU 26 HD13 LEU 26 -0.460 -15.237 0.121 217 HD21 LEU 26 HD21 LEU 26 0.053 -17.384 -0.881 218 HD22 LEU 26 HD22 LEU 26 -0.871 -18.826 -0.450 219 HD23 LEU 26 HD23 LEU 26 0.248 -18.114 0.713 220 H GLN 27 H GLN 27 -5.347 -17.919 1.039 221 HA GLN 27 HA GLN 27 -5.692 -15.896 -0.867 222 HB2 GLN 27 HB2 GLN 27 -7.655 -17.961 0.118 223 HB3 GLN 27 HB1 GLN 27 -7.938 -16.916 -1.268 224 HG2 GLN 27 HG2 GLN 27 -5.699 -18.900 -0.982 225 HG3 GLN 27 HG1 GLN 27 -7.156 -19.111 -1.952 226 HE21 GLN 27 1HE2 GLN 27 -7.201 -16.363 -2.918 227 HE22 GLN 27 2HE2 GLN 27 -5.890 -16.207 -4.020 228 H GLU 28 H GLU 28 -7.159 -16.370 2.272 229 HA GLU 28 HA GLU 28 -8.973 -14.208 2.109 230 HB2 GLU 28 HB2 GLU 28 -7.672 -15.449 4.542 231 HB3 GLU 28 HB1 GLU 28 -9.069 -14.382 4.575 232 HG2 GLU 28 HG2 GLU 28 -10.370 -16.014 3.327 233 HG3 GLU 28 HG1 GLU 28 -8.959 -17.062 3.219 234 H CYS 29 H CYS 29 -5.721 -14.488 3.420 235 HA CYS 29 HA CYS 29 -5.467 -11.869 4.381 236 HB2 CYS 29 HB2 CYS 29 -4.072 -13.823 4.981 237 HB3 CYS 29 HB1 CYS 29 -3.256 -13.682 3.434 238 H GLN 30 H GLN 30 -4.262 -13.279 1.302 239 HA GLN 30 HA GLN 30 -3.195 -10.803 0.440 240 HB2 GLN 30 HB2 GLN 30 -2.926 -11.785 -1.777 241 HB3 GLN 30 HB1 GLN 30 -2.404 -12.912 -0.534 242 HG2 GLN 30 HG2 GLN 30 -4.332 -14.208 -0.771 243 HG3 GLN 30 HG1 GLN 30 -5.116 -13.027 -1.835 244 HE21 GLN 30 1HE2 GLN 30 -1.758 -14.034 -1.987 245 HE22 GLN 30 2HE2 GLN 30 -1.878 -14.878 -3.478 246 H GLN 31 H GLN 31 -6.376 -12.158 0.203 247 HA GLN 31 HA GLN 31 -7.384 -10.412 -1.763 248 HB2 GLN 31 HB2 GLN 31 -8.527 -12.474 -1.115 249 HB3 GLN 31 HB1 GLN 31 -8.804 -11.827 0.492 250 HG2 GLN 31 HG2 GLN 31 -10.811 -11.760 -0.912 251 HG3 GLN 31 HG1 GLN 31 -10.296 -10.154 -0.405 252 HE21 GLN 31 1HE2 GLN 31 -9.522 -8.753 -1.904 253 HE22 GLN 31 2HE2 GLN 31 -9.717 -8.975 -3.604 254 H ARG 32 H ARG 32 -6.964 -10.151 1.704 255 HA ARG 32 HA ARG 32 -8.411 -7.755 2.120 256 HB2 ARG 32 HB2 ARG 32 -5.881 -8.638 3.532 257 HB3 ARG 32 HB1 ARG 32 -7.015 -7.439 4.105 258 HG2 ARG 32 HG2 ARG 32 -7.527 -10.400 3.843 259 HG3 ARG 32 HG1 ARG 32 -7.210 -9.524 5.335 260 HD2 ARG 32 HD2 ARG 32 -9.524 -9.764 5.346 261 HD3 ARG 32 HD1 ARG 32 -9.288 -8.147 4.693 262 HE ARG 32 HE ARG 32 -9.590 -10.364 2.841 263 HH11 ARG 32 HH11 ARG 32 -11.043 -7.485 4.359 264 HH12 ARG 32 HH12 ARG 32 -12.347 -7.406 3.275 265 HH21 ARG 32 HH21 ARG 32 -11.473 -10.243 1.372 266 HH22 ARG 32 HH22 ARG 32 -12.585 -8.980 1.566 267 H CYS 33 H CYS 33 -5.076 -8.465 1.265 268 HA CYS 33 HA CYS 33 -4.045 -5.876 1.137 269 HB2 CYS 33 HB2 CYS 33 -3.255 -8.238 -0.566 270 HB3 CYS 33 HB1 CYS 33 -2.264 -6.838 -0.174 271 H GLN 34 H GLN 34 -5.569 -7.890 -1.351 272 HA GLN 34 HA GLN 34 -5.308 -6.188 -3.555 273 HB2 GLN 34 HB2 GLN 34 -7.502 -8.160 -2.908 274 HB3 GLN 34 HB1 GLN 34 -7.306 -7.379 -4.467 275 HG2 GLN 34 HG2 GLN 34 -5.227 -9.131 -3.185 276 HG3 GLN 34 HG1 GLN 34 -6.439 -9.700 -4.330 277 HE21 GLN 34 1HE2 GLN 34 -4.851 -10.332 -5.747 278 HE22 GLN 34 2HE2 GLN 34 -3.965 -9.230 -6.726 279 H GLN 35 H GLN 35 -7.792 -6.384 -1.090 280 HA GLN 35 HA GLN 35 -9.494 -4.452 -2.208 281 HB2 GLN 35 HB2 GLN 35 -9.167 -5.402 0.629 282 HB3 GLN 35 HB1 GLN 35 -10.416 -4.268 0.132 283 HG2 GLN 35 HG2 GLN 35 -10.074 -7.057 -0.958 284 HG3 GLN 35 HG1 GLN 35 -11.233 -6.585 0.285 285 HE21 GLN 35 1HE2 GLN 35 -10.461 -6.423 -3.141 286 HE22 GLN 35 2HE2 GLN 35 -12.005 -5.803 -3.600 287 H GLU 36 H GLU 36 -6.984 -4.171 0.270 288 HA GLU 36 HA GLU 36 -7.125 -1.424 0.736 289 HB2 GLU 36 HB2 GLU 36 -4.807 -3.323 0.741 290 HB3 GLU 36 HB1 GLU 36 -4.706 -1.684 1.359 291 HG2 GLU 36 HG2 GLU 36 -6.661 -3.755 2.351 292 HG3 GLU 36 HG1 GLU 36 -5.085 -3.490 3.083 293 H TYR 37 H TYR 37 -5.203 -3.184 -1.592 294 HA TYR 37 HA TYR 37 -3.879 -1.178 -2.986 295 HB2 TYR 37 HB2 TYR 37 -3.371 -3.456 -3.489 296 HB3 TYR 37 HB1 TYR 37 -5.045 -3.818 -3.880 297 HD1 TYR 37 HD1 TYR 37 -2.120 -1.847 -5.045 298 HD2 TYR 37 HD2 TYR 37 -5.771 -3.738 -6.094 299 HE1 TYR 37 HE1 TYR 37 -1.657 -1.408 -7.401 300 HE2 TYR 37 HE2 TYR 37 -5.323 -3.315 -8.461 301 HH TYR 37 HH TYR 37 -2.337 -2.350 -9.645 302 H GLN 38 H GLN 38 -7.098 -2.477 -3.638 303 HA GLN 38 HA GLN 38 -7.711 -0.681 -5.746 304 HB2 GLN 38 HB2 GLN 38 -9.522 -2.345 -3.994 305 HB3 GLN 38 HB1 GLN 38 -10.031 -1.509 -5.455 306 HG2 GLN 38 HG2 GLN 38 -8.569 -2.871 -6.801 307 HG3 GLN 38 HG1 GLN 38 -7.899 -3.623 -5.361 308 HE21 GLN 38 1HE2 GLN 38 -11.316 -2.970 -5.689 309 HE22 GLN 38 2HE2 GLN 38 -11.781 -4.622 -5.861 310 H ARG 39 H ARG 39 -8.150 -0.595 -2.305 311 HA ARG 39 HA ARG 39 -9.943 1.600 -2.245 312 HB2 ARG 39 HB2 ARG 39 -8.183 0.436 -0.110 313 HB3 ARG 39 HB1 ARG 39 -9.320 1.743 0.172 314 HG2 ARG 39 HG2 ARG 39 -11.176 0.330 -0.347 315 HG3 ARG 39 HG1 ARG 39 -10.101 -0.958 -0.894 316 HD2 ARG 39 HD2 ARG 39 -9.155 -1.053 1.403 317 HD3 ARG 39 HD1 ARG 39 -10.378 0.105 1.914 318 HE ARG 39 HE ARG 39 -11.919 -1.717 0.883 319 HH11 ARG 39 HH11 ARG 39 -9.022 -2.250 2.887 320 HH12 ARG 39 HH12 ARG 39 -9.611 -3.675 3.586 321 HH21 ARG 39 HH21 ARG 39 -12.700 -3.697 1.875 322 HH22 ARG 39 HH22 ARG 39 -11.760 -4.497 3.041 323 H GLU 40 H GLU 40 -6.513 1.489 -2.692 324 HA GLU 40 HA GLU 40 -6.376 4.277 -1.957 325 HB2 GLU 40 HB2 GLU 40 -4.252 2.645 -3.313 326 HB3 GLU 40 HB1 GLU 40 -4.061 4.288 -2.728 327 HG2 GLU 40 HG2 GLU 40 -4.757 3.299 -0.459 328 HG3 GLU 40 HG1 GLU 40 -4.321 1.759 -1.198 329 H LYS 41 H LYS 41 -7.365 2.613 -4.633 330 HA LYS 41 HA LYS 41 -6.878 4.790 -6.495 331 HB2 LYS 41 HB2 LYS 41 -8.490 2.243 -6.822 332 HB3 LYS 41 HB1 LYS 41 -8.146 3.396 -8.102 333 HG2 LYS 41 HG2 LYS 41 -5.752 2.927 -7.860 334 HG3 LYS 41 HG1 LYS 41 -6.128 1.727 -6.620 335 HD2 LYS 41 HD2 LYS 41 -7.454 0.482 -8.236 336 HD3 LYS 41 HD1 LYS 41 -7.081 1.680 -9.477 337 HE2 LYS 41 HE2 LYS 41 -4.709 1.168 -9.251 338 HE3 LYS 41 HE1 LYS 41 -5.074 -0.052 -8.032 339 HZ1 LYS 41 HZ1 LYS 41 -4.719 -1.090 -10.145 340 HZ2 LYS 41 HZ2 LYS 41 -5.856 -0.101 -10.900 341 HZ3 LYS 41 HZ3 LYS 41 -6.362 -1.255 -9.780 342 H GLY 42 H GLY 42 -8.744 4.303 -4.018 343 HA2 GLY 42 HA2 GLY 42 -10.647 6.346 -4.756 344 HA3 GLY 42 HA1 GLY 42 -11.320 4.812 -4.177 345 H GLN 43 H GLN 43 -11.764 4.895 -2.063 346 HA GLN 43 HA GLN 43 -9.642 5.837 -0.304 347 HB2 GLN 43 HB2 GLN 43 -12.556 6.618 -0.051 348 HB3 GLN 43 HB1 GLN 43 -11.358 6.864 1.214 349 HG2 GLN 43 HG2 GLN 43 -10.079 8.312 -0.255 350 HG3 GLN 43 HG1 GLN 43 -11.235 8.041 -1.549 351 HE21 GLN 43 1HE2 GLN 43 -10.368 10.456 -0.264 352 HE22 GLN 43 2HE2 GLN 43 -11.792 11.224 0.352 353 H HIS 44 H HIS 44 -9.604 4.815 1.752 354 HA HIS 44 HA HIS 44 -10.759 2.141 1.709 355 HB2 HIS 44 HB2 HIS 44 -9.129 3.424 3.933 356 HB3 HIS 44 HB1 HIS 44 -9.499 1.727 3.758 357 HD1 HIS 44 HD1 HIS 44 -7.569 0.339 2.774 358 HD2 HIS 44 HD2 HIS 44 -7.400 4.370 1.715 359 HE1 HIS 44 HE1 HIS 44 -5.435 0.656 1.548 360 H GLN 45 H GLN 45 -10.921 5.134 3.449 361 HA GLN 45 HA GLN 45 -12.852 4.397 5.374 362 HB2 GLN 45 HB2 GLN 45 -11.944 7.033 4.257 363 HB3 GLN 45 HB1 GLN 45 -13.203 6.915 5.474 364 HG2 GLN 45 HG2 GLN 45 -11.665 5.870 7.003 365 HG3 GLN 45 HG1 GLN 45 -10.391 5.897 5.779 366 HE21 GLN 45 1HE2 GLN 45 -12.436 7.831 7.800 367 HE22 GLN 45 2HE2 GLN 45 -11.426 9.237 7.840 368 H GLY 46 H GLY 46 -15.059 5.318 5.456 369 HA2 GLY 46 HA2 GLY 46 -16.230 5.580 2.775 370 HA3 GLY 46 HA1 GLY 46 -16.993 4.629 4.054 371 H GLU 47 H GLU 47 -15.264 7.582 4.521 372 HA GLU 47 HA GLU 47 -17.667 8.755 5.704 373 HB2 GLU 47 HB2 GLU 47 -14.736 9.349 6.100 374 HB3 GLU 47 HB1 GLU 47 -15.999 10.389 6.720 375 HG2 GLU 47 HG2 GLU 47 -15.252 9.037 8.513 376 HG3 GLU 47 HG1 GLU 47 -16.832 8.431 8.046 377 H THR 48 H THR 48 -16.466 8.705 2.845 378 HA THR 48 HA THR 48 -17.351 11.403 2.217 379 HB THR 48 HB THR 48 -14.734 10.245 1.194 380 HG1 THR 48 HG1 THR 48 -15.424 11.773 3.324 381 HG21 THR 48 HG21 THR 48 -15.975 12.969 0.728 382 HG22 THR 48 HG22 THR 48 -15.884 11.681 -0.473 383 HG23 THR 48 HG23 THR 48 -14.406 12.434 0.128 384 H ASN 49 H ASN 49 -16.300 8.235 0.992 385 HA ASN 49 HA ASN 49 -18.488 8.277 -0.913 386 HB2 ASN 49 HB2 ASN 49 -16.401 8.886 -2.132 387 HB3 ASN 49 HB1 ASN 49 -15.644 7.417 -1.530 388 HD21 ASN 49 HD21 ASN 49 -16.343 5.429 -2.349 389 HD22 ASN 49 HD22 ASN 49 -17.214 5.297 -3.834 Start of MODEL 4 1 H1 ARG 1 HT1 ARG 1 7.034 9.112 -12.303 2 H2 ARG 1 HT2 ARG 1 5.440 9.583 -12.621 3 H3 ARG 1 HT3 ARG 1 6.021 8.093 -13.154 4 HA ARG 1 HA ARG 1 5.740 8.834 -10.322 5 HB2 ARG 1 HB2 ARG 1 3.572 8.475 -11.578 6 HB3 ARG 1 HB1 ARG 1 4.135 6.866 -11.980 7 HG2 ARG 1 HG2 ARG 1 2.570 6.751 -10.138 8 HG3 ARG 1 HG1 ARG 1 4.179 6.308 -9.568 9 HD2 ARG 1 HD2 ARG 1 4.486 8.498 -8.603 10 HD3 ARG 1 HD1 ARG 1 2.969 9.055 -9.292 11 HE ARG 1 HE ARG 1 2.312 6.897 -7.704 12 HH11 ARG 1 HH11 ARG 1 3.921 9.986 -7.132 13 HH12 ARG 1 HH12 ARG 1 3.255 10.203 -5.582 14 HH21 ARG 1 HH21 ARG 1 1.426 7.168 -5.653 15 HH22 ARG 1 HH22 ARG 1 1.751 8.571 -4.699 16 H GLY 2 H GLY 2 7.301 7.779 -9.248 17 HA2 GLY 2 HA2 GLY 2 8.602 5.396 -10.297 18 HA3 GLY 2 HA1 GLY 2 8.913 6.223 -8.778 19 HA PRO 3 HA PRO 3 6.664 2.339 -7.642 20 HB2 PRO 3 HB2 PRO 3 7.992 2.092 -5.246 21 HB3 PRO 3 HB1 PRO 3 8.578 1.374 -6.753 22 HG2 PRO 3 HG2 PRO 3 9.249 3.980 -5.509 23 HG3 PRO 3 HG1 PRO 3 10.390 2.739 -6.117 24 HD2 PRO 3 HD2 PRO 3 9.845 4.873 -7.620 25 HD3 PRO 3 HD1 PRO 3 9.843 3.270 -8.381 26 H ASP 4 H ASP 4 4.897 2.506 -6.562 27 HA ASP 4 HA ASP 4 4.213 5.082 -5.325 28 HB2 ASP 4 HB2 ASP 4 2.758 3.854 -7.120 29 HB3 ASP 4 HB1 ASP 4 2.327 2.805 -5.765 30 H LYS 5 H LYS 5 2.892 5.006 -3.440 31 HA LYS 5 HA LYS 5 4.141 3.558 -1.281 32 HB2 LYS 5 HB2 LYS 5 1.529 5.079 -1.220 33 HB3 LYS 5 HB1 LYS 5 2.525 4.652 0.150 34 HG2 LYS 5 HG2 LYS 5 4.237 6.232 -0.617 35 HG3 LYS 5 HG1 LYS 5 3.207 6.661 -1.990 36 HD2 LYS 5 HD2 LYS 5 1.421 7.319 -0.391 37 HD3 LYS 5 HD1 LYS 5 2.536 6.999 0.934 38 HE2 LYS 5 HE2 LYS 5 4.047 8.719 0.054 39 HE3 LYS 5 HE1 LYS 5 2.905 9.052 -1.246 40 HZ1 LYS 5 HZ1 LYS 5 2.628 10.641 0.510 41 HZ2 LYS 5 HZ2 LYS 5 2.448 9.442 1.662 42 HZ3 LYS 5 HZ3 LYS 5 1.253 9.670 0.497 43 H SER 6 H SER 6 1.052 3.616 -2.960 44 HA SER 6 HA SER 6 -0.266 1.737 -1.380 45 HB2 SER 6 HB2 SER 6 -0.842 2.646 -4.188 46 HB3 SER 6 HB1 SER 6 -1.989 1.942 -3.041 47 HG SER 6 HG SER 6 -2.276 3.842 -2.299 48 H TYR 7 H TYR 7 1.526 1.452 -4.436 49 HA TYR 7 HA TYR 7 0.720 -1.290 -4.685 50 HB2 TYR 7 HB2 TYR 7 1.284 0.153 -6.688 51 HB3 TYR 7 HB1 TYR 7 2.971 0.038 -6.207 52 HD1 TYR 7 HD1 TYR 7 4.264 -1.907 -6.722 53 HD2 TYR 7 HD2 TYR 7 0.055 -1.952 -7.316 54 HE1 TYR 7 HE1 TYR 7 4.461 -4.047 -7.890 55 HE2 TYR 7 HE2 TYR 7 0.238 -4.093 -8.492 56 HH TYR 7 HH TYR 7 3.153 -5.943 -8.457 57 H LYS 8 H LYS 8 3.448 0.435 -3.386 58 HA LYS 8 HA LYS 8 5.195 -1.739 -3.053 59 HB2 LYS 8 HB2 LYS 8 5.845 0.648 -2.855 60 HB3 LYS 8 HB1 LYS 8 4.923 0.746 -1.365 61 HG2 LYS 8 HG2 LYS 8 6.427 -0.853 -0.309 62 HG3 LYS 8 HG1 LYS 8 7.333 -1.009 -1.813 63 HD2 LYS 8 HD2 LYS 8 8.533 0.511 -0.394 64 HD3 LYS 8 HD1 LYS 8 7.809 1.431 -1.705 65 HE2 LYS 8 HE2 LYS 8 7.541 2.629 0.381 66 HE3 LYS 8 HE1 LYS 8 5.966 2.101 -0.197 67 HZ1 LYS 8 HZ1 LYS 8 6.193 1.715 2.163 68 HZ2 LYS 8 HZ2 LYS 8 7.582 0.807 1.931 69 HZ3 LYS 8 HZ3 LYS 8 6.107 0.223 1.391 70 H ARG 9 H ARG 9 2.811 -0.260 -0.869 71 HA ARG 9 HA ARG 9 3.281 -2.118 1.188 72 HB2 ARG 9 HB2 ARG 9 1.228 -1.268 2.243 73 HB3 ARG 9 HB1 ARG 9 2.265 0.029 1.675 74 HG2 ARG 9 HG2 ARG 9 0.810 0.186 -0.346 75 HG3 ARG 9 HG1 ARG 9 -0.292 -0.942 0.441 76 HD2 ARG 9 HD2 ARG 9 -1.007 1.360 0.792 77 HD3 ARG 9 HD1 ARG 9 -0.538 0.616 2.316 78 HE ARG 9 HE ARG 9 1.728 1.842 1.421 79 HH11 ARG 9 HH11 ARG 9 -1.555 2.946 2.151 80 HH12 ARG 9 HH12 ARG 9 -1.099 4.501 2.632 81 HH21 ARG 9 HH21 ARG 9 2.383 4.011 2.120 82 HH22 ARG 9 HH22 ARG 9 1.197 5.101 2.659 83 H LEU 10 H LEU 10 1.082 -2.164 -1.535 84 HA LEU 10 HA LEU 10 -0.463 -4.387 -0.771 85 HB2 LEU 10 HB2 LEU 10 -1.165 -2.831 -2.501 86 HB3 LEU 10 HB1 LEU 10 0.204 -3.255 -3.489 87 HG LEU 10 HG LEU 10 -2.127 -4.122 -4.173 88 HD11 LEU 10 HD11 LEU 10 -0.200 -4.887 -5.288 89 HD12 LEU 10 HD12 LEU 10 -1.404 -6.153 -4.993 90 HD13 LEU 10 HD13 LEU 10 0.073 -6.107 -4.015 91 HD21 LEU 10 HD21 LEU 10 -2.801 -6.239 -3.226 92 HD22 LEU 10 HD22 LEU 10 -2.852 -4.948 -2.021 93 HD23 LEU 10 HD23 LEU 10 -1.524 -6.112 -2.022 94 H GLN 11 H GLN 11 2.348 -4.199 -2.906 95 HA GLN 11 HA GLN 11 2.491 -6.965 -3.375 96 HB2 GLN 11 HB2 GLN 11 4.732 -6.604 -4.258 97 HB3 GLN 11 HB1 GLN 11 3.653 -5.338 -4.816 98 HG2 GLN 11 HG2 GLN 11 4.565 -3.828 -3.137 99 HG3 GLN 11 HG1 GLN 11 5.639 -5.101 -2.573 100 HE21 GLN 11 1HE2 GLN 11 4.990 -2.808 -5.027 101 HE22 GLN 11 2HE2 GLN 11 6.508 -2.939 -5.836 102 H GLU 12 H GLU 12 4.084 -4.990 -0.883 103 HA GLU 12 HA GLU 12 5.508 -7.143 0.221 104 HB2 GLU 12 HB2 GLU 12 4.604 -4.536 1.423 105 HB3 GLU 12 HB1 GLU 12 5.689 -5.668 2.223 106 HG2 GLU 12 HG2 GLU 12 6.220 -4.359 -0.427 107 HG3 GLU 12 HG1 GLU 12 6.841 -3.786 1.116 108 H CYS 13 H CYS 13 2.299 -5.808 0.846 109 HA CYS 13 HA CYS 13 1.694 -7.244 3.156 110 HB2 CYS 13 HB2 CYS 13 0.308 -5.368 2.299 111 HB3 CYS 13 HB1 CYS 13 -0.225 -6.389 0.971 112 H GLN 14 H GLN 14 1.052 -8.096 -0.255 113 HA GLN 14 HA GLN 14 -0.107 -10.567 0.414 114 HB2 GLN 14 HB2 GLN 14 0.233 -11.204 -1.990 115 HB3 GLN 14 HB1 GLN 14 -0.624 -9.692 -1.752 116 HG2 GLN 14 HG2 GLN 14 1.316 -8.445 -2.355 117 HG3 GLN 14 HG1 GLN 14 2.300 -9.908 -2.406 118 HE21 GLN 14 1HE2 GLN 14 -0.145 -8.018 -4.060 119 HE22 GLN 14 2HE2 GLN 14 -0.050 -8.898 -5.535 120 H ARG 15 H ARG 15 3.243 -9.702 -0.231 121 HA ARG 15 HA ARG 15 4.184 -12.385 -0.209 122 HB2 ARG 15 HB2 ARG 15 5.678 -9.841 0.448 123 HB3 ARG 15 HB1 ARG 15 6.420 -11.406 0.133 124 HG2 ARG 15 HG2 ARG 15 4.841 -9.739 -1.792 125 HG3 ARG 15 HG1 ARG 15 6.584 -9.962 -1.793 126 HD2 ARG 15 HD2 ARG 15 6.232 -12.377 -2.214 127 HD3 ARG 15 HD1 ARG 15 4.491 -12.083 -2.281 128 HE ARG 15 HE ARG 15 6.043 -10.428 -3.976 129 HH11 ARG 15 HH11 ARG 15 4.238 -13.470 -3.798 130 HH12 ARG 15 HH12 ARG 15 4.112 -13.667 -5.481 131 HH21 ARG 15 HH21 ARG 15 5.851 -10.686 -6.307 132 HH22 ARG 15 HH22 ARG 15 5.071 -12.052 -6.957 133 H ARG 16 H ARG 16 3.708 -9.972 2.278 134 HA ARG 16 HA ARG 16 4.793 -11.391 4.460 135 HB2 ARG 16 HB2 ARG 16 2.622 -9.304 4.299 136 HB3 ARG 16 HB1 ARG 16 3.164 -9.985 5.826 137 HG2 ARG 16 HG2 ARG 16 5.323 -9.127 5.545 138 HG3 ARG 16 HG1 ARG 16 5.008 -8.656 3.876 139 HD2 ARG 16 HD2 ARG 16 4.968 -6.740 5.430 140 HD3 ARG 16 HD1 ARG 16 3.434 -6.968 4.599 141 HE ARG 16 HE ARG 16 3.053 -8.288 6.913 142 HH11 ARG 16 HH11 ARG 16 4.386 -5.057 6.332 143 HH12 ARG 16 HH12 ARG 16 3.709 -4.363 7.715 144 HH21 ARG 16 HH21 ARG 16 2.093 -7.362 8.786 145 HH22 ARG 16 HH22 ARG 16 2.343 -5.721 9.169 146 H CYS 17 H CYS 17 1.600 -11.270 3.111 147 HA CYS 17 HA CYS 17 0.340 -13.042 4.830 148 HB2 CYS 17 HB2 CYS 17 -0.117 -12.453 1.935 149 HB3 CYS 17 HB1 CYS 17 -1.159 -13.553 2.820 150 H GLN 18 H GLN 18 2.373 -13.746 2.048 151 HA GLN 18 HA GLN 18 1.905 -16.542 2.052 152 HB2 GLN 18 HB2 GLN 18 4.273 -14.996 0.994 153 HB3 GLN 18 HB1 GLN 18 3.939 -16.685 0.642 154 HG2 GLN 18 HG2 GLN 18 1.749 -15.936 -0.320 155 HG3 GLN 18 HG1 GLN 18 2.317 -14.288 -0.141 156 HE21 GLN 18 1HE2 GLN 18 2.777 -17.272 -1.796 157 HE22 GLN 18 2HE2 GLN 18 3.669 -16.646 -3.135 158 H SER 19 H SER 19 3.733 -14.553 4.063 159 HA SER 19 HA SER 19 5.443 -16.688 5.003 160 HB2 SER 19 HB2 SER 19 6.404 -14.455 4.707 161 HB3 SER 19 HB1 SER 19 5.200 -13.773 5.792 162 HG SER 19 HG SER 19 6.138 -14.696 7.477 163 H GLU 20 H GLU 20 2.854 -14.547 6.244 164 HA GLU 20 HA GLU 20 2.848 -15.835 8.806 165 HB2 GLU 20 HB2 GLU 20 0.943 -13.804 7.721 166 HB3 GLU 20 HB1 GLU 20 1.353 -14.122 9.403 167 HG2 GLU 20 HG2 GLU 20 3.194 -13.004 7.316 168 HG3 GLU 20 HG1 GLU 20 2.391 -12.077 8.562 169 H GLN 21 H GLN 21 1.014 -16.103 5.847 170 HA GLN 21 HA GLN 21 -0.941 -17.797 7.233 171 HB2 GLN 21 HB2 GLN 21 -1.438 -15.906 4.921 172 HB3 GLN 21 HB1 GLN 21 -2.614 -17.046 5.554 173 HG2 GLN 21 HG2 GLN 21 -1.390 -14.780 7.108 174 HG3 GLN 21 HG1 GLN 21 -2.976 -14.740 6.348 175 HE21 GLN 21 1HE2 GLN 21 -2.197 -14.475 9.122 176 HE22 GLN 21 2HE2 GLN 21 -3.056 -15.684 10.003 177 H GLN 22 H GLN 22 -2.088 -19.221 5.534 178 HA GLN 22 HA GLN 22 -0.468 -19.979 3.287 179 HB2 GLN 22 HB2 GLN 22 -0.339 -22.349 4.047 180 HB3 GLN 22 HB1 GLN 22 0.677 -21.253 4.967 181 HG2 GLN 22 HG2 GLN 22 -0.942 -21.236 6.771 182 HG3 GLN 22 HG1 GLN 22 -2.038 -22.236 5.828 183 HE21 GLN 22 1HE2 GLN 22 -2.078 -23.846 7.336 184 HE22 GLN 22 2HE2 GLN 22 -0.735 -24.874 7.683 185 H GLY 23 H GLY 23 -1.517 -21.677 2.087 186 HA2 GLY 23 HA2 GLY 23 -3.304 -22.625 1.015 187 HA3 GLY 23 HA1 GLY 23 -3.930 -22.874 2.632 188 H GLN 24 H GLN 24 -5.950 -22.344 2.636 189 HA GLN 24 HA GLN 24 -7.196 -20.515 0.855 190 HB2 GLN 24 HB2 GLN 24 -8.252 -21.617 3.468 191 HB3 GLN 24 HB1 GLN 24 -9.209 -20.835 2.224 192 HG2 GLN 24 HG2 GLN 24 -7.779 -23.479 1.996 193 HG3 GLN 24 HG1 GLN 24 -9.514 -23.232 2.158 194 HE21 GLN 24 1HE2 GLN 24 -10.671 -22.419 0.383 195 HE22 GLN 24 2HE2 GLN 24 -10.031 -22.458 -1.213 196 H ARG 25 H ARG 25 -6.012 -20.335 4.157 197 HA ARG 25 HA ARG 25 -7.080 -17.819 4.836 198 HB2 ARG 25 HB2 ARG 25 -4.588 -19.199 5.830 199 HB3 ARG 25 HB1 ARG 25 -5.378 -17.836 6.612 200 HG2 ARG 25 HG2 ARG 25 -6.679 -20.495 6.128 201 HG3 ARG 25 HG1 ARG 25 -5.888 -20.040 7.634 202 HD2 ARG 25 HD2 ARG 25 -8.232 -18.618 6.353 203 HD3 ARG 25 HD1 ARG 25 -8.343 -19.749 7.694 204 HE ARG 25 HE ARG 25 -6.735 -18.074 8.790 205 HH11 ARG 25 HH11 ARG 25 -9.316 -17.106 6.550 206 HH12 ARG 25 HH12 ARG 25 -9.698 -15.698 7.417 207 HH21 ARG 25 HH21 ARG 25 -7.282 -16.105 9.941 208 HH22 ARG 25 HH22 ARG 25 -8.538 -15.115 9.346 209 H LEU 26 H LEU 26 -4.242 -18.816 3.128 210 HA LEU 26 HA LEU 26 -2.963 -16.290 3.022 211 HB2 LEU 26 HB2 LEU 26 -1.661 -18.127 2.510 212 HB3 LEU 26 HB1 LEU 26 -2.765 -18.731 1.276 213 HG LEU 26 HG LEU 26 -2.136 -16.772 -0.126 214 HD11 LEU 26 HD11 LEU 26 -1.508 -15.262 1.620 215 HD12 LEU 26 HD12 LEU 26 -0.174 -15.479 0.490 216 HD13 LEU 26 HD13 LEU 26 -0.148 -16.287 2.063 217 HD21 LEU 26 HD21 LEU 26 0.189 -18.430 0.792 218 HD22 LEU 26 HD22 LEU 26 0.033 -17.561 -0.746 219 HD23 LEU 26 HD23 LEU 26 -1.029 -18.921 -0.386 220 H GLN 27 H GLN 27 -5.239 -17.921 0.895 221 HA GLN 27 HA GLN 27 -5.329 -16.014 -1.141 222 HB2 GLN 27 HB2 GLN 27 -7.531 -17.800 -0.110 223 HB3 GLN 27 HB1 GLN 27 -7.600 -16.881 -1.605 224 HG2 GLN 27 HG2 GLN 27 -5.697 -18.153 -2.470 225 HG3 GLN 27 HG1 GLN 27 -5.643 -19.070 -0.967 226 HE21 GLN 27 1HE2 GLN 27 -8.658 -18.092 -2.392 227 HE22 GLN 27 2HE2 GLN 27 -9.147 -19.667 -2.895 228 H GLU 28 H GLU 28 -7.195 -16.325 1.813 229 HA GLU 28 HA GLU 28 -8.795 -14.038 1.507 230 HB2 GLU 28 HB2 GLU 28 -7.868 -15.376 4.037 231 HB3 GLU 28 HB1 GLU 28 -9.221 -14.261 3.894 232 HG2 GLU 28 HG2 GLU 28 -10.346 -15.851 2.420 233 HG3 GLU 28 HG1 GLU 28 -8.997 -16.969 2.614 234 H CYS 29 H CYS 29 -5.698 -14.532 3.173 235 HA CYS 29 HA CYS 29 -5.488 -11.952 4.260 236 HB2 CYS 29 HB2 CYS 29 -4.106 -13.915 4.927 237 HB3 CYS 29 HB1 CYS 29 -3.207 -13.758 3.431 238 H GLN 30 H GLN 30 -4.114 -13.292 1.254 239 HA GLN 30 HA GLN 30 -3.042 -10.839 0.368 240 HB2 GLN 30 HB2 GLN 30 -3.779 -13.356 -1.101 241 HB3 GLN 30 HB1 GLN 30 -3.110 -11.959 -1.937 242 HG2 GLN 30 HG2 GLN 30 -1.118 -12.064 -0.548 243 HG3 GLN 30 HG1 GLN 30 -1.787 -13.430 0.331 244 HE21 GLN 30 1HE2 GLN 30 -2.838 -14.757 -1.940 245 HE22 GLN 30 2HE2 GLN 30 -1.497 -15.364 -2.855 246 H GLN 31 H GLN 31 -6.193 -12.253 0.007 247 HA GLN 31 HA GLN 31 -7.341 -10.509 -1.846 248 HB2 GLN 31 HB2 GLN 31 -8.374 -12.591 -1.063 249 HB3 GLN 31 HB1 GLN 31 -8.543 -11.909 0.538 250 HG2 GLN 31 HG2 GLN 31 -10.160 -10.314 -0.286 251 HG3 GLN 31 HG1 GLN 31 -9.951 -10.933 -1.929 252 HE21 GLN 31 1HE2 GLN 31 -12.304 -10.881 -0.193 253 HE22 GLN 31 2HE2 GLN 31 -12.854 -12.506 -0.105 254 H ARG 32 H ARG 32 -7.095 -10.328 1.686 255 HA ARG 32 HA ARG 32 -8.418 -7.904 2.116 256 HB2 ARG 32 HB2 ARG 32 -6.088 -9.097 3.610 257 HB3 ARG 32 HB1 ARG 32 -6.985 -7.691 4.154 258 HG2 ARG 32 HG2 ARG 32 -9.010 -9.061 4.303 259 HG3 ARG 32 HG1 ARG 32 -8.078 -10.463 3.772 260 HD2 ARG 32 HD2 ARG 32 -6.671 -10.345 5.702 261 HD3 ARG 32 HD1 ARG 32 -7.409 -8.829 6.211 262 HE ARG 32 HE ARG 32 -9.371 -10.818 6.000 263 HH11 ARG 32 HH11 ARG 32 -6.577 -10.014 8.012 264 HH12 ARG 32 HH12 ARG 32 -7.221 -10.659 9.450 265 HH21 ARG 32 HH21 ARG 32 -10.311 -11.639 8.007 266 HH22 ARG 32 HH22 ARG 32 -9.417 -11.618 9.449 267 H CYS 33 H CYS 33 -5.016 -8.537 1.388 268 HA CYS 33 HA CYS 33 -4.076 -5.901 1.549 269 HB2 CYS 33 HB2 CYS 33 -3.102 -8.056 -0.337 270 HB3 CYS 33 HB1 CYS 33 -2.200 -6.642 0.192 271 H GLN 34 H GLN 34 -5.452 -7.731 -1.160 272 HA GLN 34 HA GLN 34 -5.077 -5.734 -3.107 273 HB2 GLN 34 HB2 GLN 34 -7.063 -7.991 -3.001 274 HB3 GLN 34 HB1 GLN 34 -6.746 -6.998 -4.416 275 HG2 GLN 34 HG2 GLN 34 -4.417 -7.760 -4.406 276 HG3 GLN 34 HG1 GLN 34 -4.780 -8.762 -3.000 277 HE21 GLN 34 1HE2 GLN 34 -4.244 -10.618 -4.048 278 HE22 GLN 34 2HE2 GLN 34 -5.220 -11.325 -5.276 279 H GLN 35 H GLN 35 -7.703 -6.494 -0.894 280 HA GLN 35 HA GLN 35 -9.622 -4.657 -1.835 281 HB2 GLN 35 HB2 GLN 35 -9.115 -5.515 1.024 282 HB3 GLN 35 HB1 GLN 35 -10.542 -4.661 0.473 283 HG2 GLN 35 HG2 GLN 35 -9.704 -7.460 -0.252 284 HG3 GLN 35 HG1 GLN 35 -11.041 -6.990 0.792 285 HE21 GLN 35 1HE2 GLN 35 -9.960 -7.439 -2.431 286 HE22 GLN 35 2HE2 GLN 35 -11.476 -7.149 -3.190 287 H GLU 36 H GLU 36 -7.076 -4.336 0.584 288 HA GLU 36 HA GLU 36 -7.430 -1.665 1.260 289 HB2 GLU 36 HB2 GLU 36 -4.962 -3.359 1.183 290 HB3 GLU 36 HB1 GLU 36 -4.969 -1.724 1.814 291 HG2 GLU 36 HG2 GLU 36 -6.533 -4.087 2.843 292 HG3 GLU 36 HG1 GLU 36 -5.142 -3.332 3.619 293 H TYR 37 H TYR 37 -5.378 -3.090 -1.207 294 HA TYR 37 HA TYR 37 -4.262 -0.736 -2.183 295 HB2 TYR 37 HB2 TYR 37 -3.359 -2.856 -2.855 296 HB3 TYR 37 HB1 TYR 37 -4.798 -3.320 -3.726 297 HD1 TYR 37 HD1 TYR 37 -4.997 -2.774 -6.024 298 HD2 TYR 37 HD2 TYR 37 -2.052 -0.820 -3.661 299 HE1 TYR 37 HE1 TYR 37 -4.032 -1.774 -8.058 300 HE2 TYR 37 HE2 TYR 37 -1.085 0.180 -5.678 301 HH TYR 37 HH TYR 37 -2.671 0.139 -8.683 302 H GLN 38 H GLN 38 -7.352 -2.168 -3.020 303 HA GLN 38 HA GLN 38 -7.983 -0.338 -5.113 304 HB2 GLN 38 HB2 GLN 38 -9.705 -2.074 -3.360 305 HB3 GLN 38 HB1 GLN 38 -10.353 -1.087 -4.660 306 HG2 GLN 38 HG2 GLN 38 -9.231 -2.345 -6.304 307 HG3 GLN 38 HG1 GLN 38 -8.211 -3.137 -5.100 308 HE21 GLN 38 1HE2 GLN 38 -9.000 -4.752 -3.942 309 HE22 GLN 38 2HE2 GLN 38 -10.482 -5.592 -4.265 310 H ARG 39 H ARG 39 -8.339 -0.219 -1.674 311 HA ARG 39 HA ARG 39 -10.116 2.051 -1.671 312 HB2 ARG 39 HB2 ARG 39 -8.557 0.709 0.543 313 HB3 ARG 39 HB1 ARG 39 -9.765 1.964 0.787 314 HG2 ARG 39 HG2 ARG 39 -11.505 0.554 0.022 315 HG3 ARG 39 HG1 ARG 39 -10.360 -0.655 -0.559 316 HD2 ARG 39 HD2 ARG 39 -9.666 -1.104 1.735 317 HD3 ARG 39 HD1 ARG 39 -10.778 0.131 2.324 318 HE ARG 39 HE ARG 39 -12.515 -1.324 1.142 319 HH11 ARG 39 HH11 ARG 39 -9.700 -2.655 2.948 320 HH12 ARG 39 HH12 ARG 39 -10.513 -4.106 3.262 321 HH21 ARG 39 HH21 ARG 39 -13.532 -3.329 1.668 322 HH22 ARG 39 HH22 ARG 39 -12.695 -4.515 2.566 323 H GLU 40 H GLU 40 -6.776 1.371 -0.946 324 HA GLU 40 HA GLU 40 -6.167 4.158 -0.377 325 HB2 GLU 40 HB2 GLU 40 -4.672 1.585 0.018 326 HB3 GLU 40 HB1 GLU 40 -4.054 3.174 0.455 327 HG2 GLU 40 HG2 GLU 40 -6.659 2.157 1.475 328 HG3 GLU 40 HG1 GLU 40 -5.147 1.774 2.296 329 H LYS 41 H LYS 41 -6.493 2.787 -3.140 330 HA LYS 41 HA LYS 41 -3.995 2.799 -4.440 331 HB2 LYS 41 HB2 LYS 41 -5.254 3.081 -6.551 332 HB3 LYS 41 HB1 LYS 41 -5.875 1.789 -5.539 333 HG2 LYS 41 HG2 LYS 41 -7.675 3.311 -4.774 334 HG3 LYS 41 HG1 LYS 41 -7.076 4.531 -5.898 335 HD2 LYS 41 HD2 LYS 41 -7.955 1.769 -6.676 336 HD3 LYS 41 HD1 LYS 41 -8.990 3.197 -6.779 337 HE2 LYS 41 HE2 LYS 41 -7.444 4.203 -8.371 338 HE3 LYS 41 HE1 LYS 41 -6.362 2.819 -8.222 339 HZ1 LYS 41 HZ1 LYS 41 -9.133 2.717 -9.272 340 HZ2 LYS 41 HZ2 LYS 41 -8.085 1.420 -9.108 341 HZ3 LYS 41 HZ3 LYS 41 -7.716 2.662 -10.190 342 H GLY 42 H GLY 42 -6.134 5.298 -3.584 343 HA2 GLY 42 HA2 GLY 42 -4.122 7.277 -4.210 344 HA3 GLY 42 HA1 GLY 42 -5.791 7.541 -4.758 345 H GLN 43 H GLN 43 -4.041 8.745 -2.533 346 HA GLN 43 HA GLN 43 -5.472 7.936 -0.206 347 HB2 GLN 43 HB2 GLN 43 -3.411 10.117 -0.606 348 HB3 GLN 43 HB1 GLN 43 -4.103 9.681 0.953 349 HG2 GLN 43 HG2 GLN 43 -3.195 7.436 0.767 350 HG3 GLN 43 HG1 GLN 43 -2.566 7.802 -0.833 351 HE21 GLN 43 1HE2 GLN 43 -2.188 8.294 2.576 352 HE22 GLN 43 2HE2 GLN 43 -0.587 8.939 2.499 353 H HIS 44 H HIS 44 -7.490 8.322 -0.792 354 HA HIS 44 HA HIS 44 -8.378 11.111 -1.085 355 HB2 HIS 44 HB2 HIS 44 -9.974 8.551 -1.405 356 HB3 HIS 44 HB1 HIS 44 -10.554 10.175 -1.734 357 HD1 HIS 44 HD1 HIS 44 -9.786 7.406 -3.634 358 HD2 HIS 44 HD2 HIS 44 -8.374 11.318 -3.726 359 HE1 HIS 44 HE1 HIS 44 -8.860 7.755 -5.924 360 H GLN 45 H GLN 45 -8.737 8.212 0.872 361 HA GLN 45 HA GLN 45 -10.576 9.408 2.702 362 HB2 GLN 45 HB2 GLN 45 -8.816 6.964 3.018 363 HB3 GLN 45 HB1 GLN 45 -10.162 7.404 4.055 364 HG2 GLN 45 HG2 GLN 45 -11.714 7.076 2.217 365 HG3 GLN 45 HG1 GLN 45 -10.381 6.689 1.134 366 HE21 GLN 45 1HE2 GLN 45 -9.274 4.744 1.436 367 HE22 GLN 45 2HE2 GLN 45 -9.939 3.434 2.341 368 H GLY 46 H GLY 46 -7.145 8.884 2.422 369 HA2 GLY 46 HA2 GLY 46 -6.409 9.879 4.970 370 HA3 GLY 46 HA1 GLY 46 -5.364 9.643 3.579 371 H GLU 47 H GLU 47 -6.133 11.880 5.610 372 HA GLU 47 HA GLU 47 -6.648 14.029 3.761 373 HB2 GLU 47 HB2 GLU 47 -6.114 14.037 6.736 374 HB3 GLU 47 HB1 GLU 47 -6.520 15.463 5.790 375 HG2 GLU 47 HG2 GLU 47 -8.672 14.424 5.199 376 HG3 GLU 47 HG1 GLU 47 -8.262 13.043 6.212 377 H THR 48 H THR 48 -5.178 15.722 3.380 378 HA THR 48 HA THR 48 -2.461 14.872 3.269 379 HB THR 48 HB THR 48 -3.639 17.591 2.611 380 HG1 THR 48 HG1 THR 48 -3.829 15.146 1.345 381 HG21 THR 48 HG21 THR 48 -1.139 16.203 1.615 382 HG22 THR 48 HG22 THR 48 -1.187 17.540 2.766 383 HG23 THR 48 HG23 THR 48 -1.712 17.792 1.101 384 H ASN 49 H ASN 49 -1.925 14.657 5.454 385 HA ASN 49 HA ASN 49 -1.140 17.082 6.783 386 HB2 ASN 49 HB2 ASN 49 -3.368 16.838 7.706 387 HB3 ASN 49 HB1 ASN 49 -3.085 15.135 8.042 388 HD21 ASN 49 HD21 ASN 49 -3.561 15.428 10.193 389 HD22 ASN 49 HD22 ASN 49 -2.479 16.198 11.306 Start of MODEL 5 1 H1 ARG 1 HT1 ARG 1 4.123 8.548 -14.495 2 H2 ARG 1 HT2 ARG 1 5.476 8.475 -13.487 3 H3 ARG 1 HT3 ARG 1 4.016 7.868 -12.954 4 HA ARG 1 HA ARG 1 4.071 6.125 -14.532 5 HB2 ARG 1 HB2 ARG 1 6.743 7.342 -15.309 6 HB3 ARG 1 HB1 ARG 1 6.176 5.769 -15.839 7 HG2 ARG 1 HG2 ARG 1 4.842 8.404 -16.465 8 HG3 ARG 1 HG1 ARG 1 5.877 7.491 -17.561 9 HD2 ARG 1 HD2 ARG 1 4.324 5.624 -17.475 10 HD3 ARG 1 HD1 ARG 1 3.277 6.513 -16.374 11 HE ARG 1 HE ARG 1 3.800 7.840 -18.860 12 HH11 ARG 1 HH11 ARG 1 1.655 5.571 -17.164 13 HH12 ARG 1 HH12 ARG 1 0.397 5.718 -18.296 14 HH21 ARG 1 HH21 ARG 1 1.999 8.012 -20.422 15 HH22 ARG 1 HH22 ARG 1 0.567 7.162 -20.106 16 H GLY 2 H GLY 2 5.517 4.172 -14.209 17 HA2 GLY 2 HA2 GLY 2 7.132 3.068 -12.871 18 HA3 GLY 2 HA1 GLY 2 7.023 4.388 -11.707 19 HA PRO 3 HA PRO 3 4.152 0.973 -10.392 20 HB2 PRO 3 HB2 PRO 3 5.328 0.283 -8.060 21 HB3 PRO 3 HB1 PRO 3 5.819 -0.425 -9.602 22 HG2 PRO 3 HG2 PRO 3 7.102 1.770 -8.033 23 HG3 PRO 3 HG1 PRO 3 7.863 0.427 -8.904 24 HD2 PRO 3 HD2 PRO 3 7.665 2.977 -9.897 25 HD3 PRO 3 HD1 PRO 3 7.773 1.533 -10.919 26 H ASP 4 H ASP 4 2.585 1.167 -8.766 27 HA ASP 4 HA ASP 4 2.310 3.820 -7.650 28 HB2 ASP 4 HB2 ASP 4 0.515 1.394 -7.404 29 HB3 ASP 4 HB1 ASP 4 0.158 2.947 -6.671 30 H LYS 5 H LYS 5 2.117 4.331 -5.473 31 HA LYS 5 HA LYS 5 3.975 3.154 -3.721 32 HB2 LYS 5 HB2 LYS 5 1.555 4.840 -3.039 33 HB3 LYS 5 HB1 LYS 5 2.903 4.525 -1.968 34 HG2 LYS 5 HG2 LYS 5 4.402 5.773 -3.380 35 HG3 LYS 5 HG1 LYS 5 3.143 5.989 -4.594 36 HD2 LYS 5 HD2 LYS 5 3.002 7.051 -1.762 37 HD3 LYS 5 HD1 LYS 5 3.501 7.999 -3.162 38 HE2 LYS 5 HE2 LYS 5 1.306 7.660 -4.188 39 HE3 LYS 5 HE1 LYS 5 0.800 6.672 -2.827 40 HZ1 LYS 5 HZ1 LYS 5 -0.022 8.929 -2.695 41 HZ2 LYS 5 HZ2 LYS 5 1.527 9.546 -2.678 42 HZ3 LYS 5 HZ3 LYS 5 0.975 8.569 -1.388 43 H SER 6 H SER 6 0.447 2.972 -3.860 44 HA SER 6 HA SER 6 0.100 1.148 -1.778 45 HB2 SER 6 HB2 SER 6 -1.641 1.684 -4.171 46 HB3 SER 6 HB1 SER 6 -2.147 0.934 -2.654 47 HG SER 6 HG SER 6 -1.561 2.779 -1.570 48 H TYR 7 H TYR 7 1.055 0.669 -5.091 49 HA TYR 7 HA TYR 7 0.286 -2.098 -5.174 50 HB2 TYR 7 HB2 TYR 7 0.539 -0.725 -7.238 51 HB3 TYR 7 HB1 TYR 7 2.270 -0.639 -6.937 52 HD1 TYR 7 HD1 TYR 7 3.688 -2.344 -7.726 53 HD2 TYR 7 HD2 TYR 7 -0.508 -3.003 -7.597 54 HE1 TYR 7 HE1 TYR 7 3.981 -4.443 -8.985 55 HE2 TYR 7 HE2 TYR 7 -0.229 -5.095 -8.845 56 HH TYR 7 HH TYR 7 2.844 -6.522 -9.367 57 H LYS 8 H LYS 8 3.134 -0.244 -4.447 58 HA LYS 8 HA LYS 8 4.878 -2.416 -4.089 59 HB2 LYS 8 HB2 LYS 8 4.930 0.381 -2.936 60 HB3 LYS 8 HB1 LYS 8 6.262 -0.764 -2.814 61 HG2 LYS 8 HG2 LYS 8 6.544 -0.793 -5.197 62 HG3 LYS 8 HG1 LYS 8 5.092 0.175 -5.425 63 HD2 LYS 8 HD2 LYS 8 7.134 1.509 -5.696 64 HD3 LYS 8 HD1 LYS 8 6.166 2.068 -4.335 65 HE2 LYS 8 HE2 LYS 8 7.633 0.971 -2.781 66 HE3 LYS 8 HE1 LYS 8 8.540 0.229 -4.100 67 HZ1 LYS 8 HZ1 LYS 8 8.343 3.164 -3.659 68 HZ2 LYS 8 HZ2 LYS 8 9.333 2.347 -4.767 69 HZ3 LYS 8 HZ3 LYS 8 9.611 2.192 -3.122 70 H ARG 9 H ARG 9 2.755 -0.620 -1.915 71 HA ARG 9 HA ARG 9 3.365 -2.074 0.436 72 HB2 ARG 9 HB2 ARG 9 0.771 -0.688 -0.281 73 HB3 ARG 9 HB1 ARG 9 1.223 -1.225 1.329 74 HG2 ARG 9 HG2 ARG 9 3.104 0.356 1.298 75 HG3 ARG 9 HG1 ARG 9 2.587 0.912 -0.296 76 HD2 ARG 9 HD2 ARG 9 1.740 2.449 1.326 77 HD3 ARG 9 HD1 ARG 9 0.387 1.508 0.715 78 HE ARG 9 HE ARG 9 1.500 0.364 3.073 79 HH11 ARG 9 HH11 ARG 9 -0.824 2.733 1.880 80 HH12 ARG 9 HH12 ARG 9 -1.567 2.987 3.396 81 HH21 ARG 9 HH21 ARG 9 0.411 0.642 5.151 82 HH22 ARG 9 HH22 ARG 9 -0.879 1.739 5.284 83 H LEU 10 H LEU 10 1.069 -2.588 -2.167 84 HA LEU 10 HA LEU 10 -0.348 -4.762 -1.127 85 HB2 LEU 10 HB2 LEU 10 -1.166 -3.631 -3.077 86 HB3 LEU 10 HB1 LEU 10 0.306 -3.968 -3.955 87 HG LEU 10 HG LEU 10 -0.271 -6.340 -4.054 88 HD11 LEU 10 HD11 LEU 10 -1.517 -6.587 -2.027 89 HD12 LEU 10 HD12 LEU 10 -2.488 -7.120 -3.394 90 HD13 LEU 10 HD13 LEU 10 -2.809 -5.552 -2.641 91 HD21 LEU 10 HD21 LEU 10 -2.462 -4.519 -5.023 92 HD22 LEU 10 HD22 LEU 10 -2.162 -6.161 -5.594 93 HD23 LEU 10 HD23 LEU 10 -0.959 -4.899 -5.868 94 H GLN 11 H GLN 11 2.564 -4.676 -3.120 95 HA GLN 11 HA GLN 11 2.953 -7.432 -3.298 96 HB2 GLN 11 HB2 GLN 11 4.960 -5.178 -3.330 97 HB3 GLN 11 HB1 GLN 11 5.357 -6.847 -3.722 98 HG2 GLN 11 HG2 GLN 11 3.872 -6.815 -5.608 99 HG3 GLN 11 HG1 GLN 11 3.299 -5.206 -5.173 100 HE21 GLN 11 1HE2 GLN 11 4.580 -3.464 -5.569 101 HE22 GLN 11 2HE2 GLN 11 5.972 -3.530 -6.602 102 H GLU 12 H GLU 12 4.318 -5.096 -0.961 103 HA GLU 12 HA GLU 12 5.561 -6.922 0.677 104 HB2 GLU 12 HB2 GLU 12 4.316 -4.265 1.224 105 HB3 GLU 12 HB1 GLU 12 5.146 -5.192 2.466 106 HG2 GLU 12 HG2 GLU 12 6.350 -4.313 -0.132 107 HG3 GLU 12 HG1 GLU 12 6.566 -3.500 1.414 108 H CYS 13 H CYS 13 2.198 -5.868 0.697 109 HA CYS 13 HA CYS 13 1.476 -7.144 3.096 110 HB2 CYS 13 HB2 CYS 13 0.124 -5.390 1.822 111 HB3 CYS 13 HB1 CYS 13 -0.363 -6.685 0.737 112 H GLN 14 H GLN 14 1.314 -8.230 -0.289 113 HA GLN 14 HA GLN 14 0.207 -10.751 0.299 114 HB2 GLN 14 HB2 GLN 14 1.790 -9.871 -2.118 115 HB3 GLN 14 HB1 GLN 14 0.938 -11.411 -1.984 116 HG2 GLN 14 HG2 GLN 14 -1.164 -10.178 -1.742 117 HG3 GLN 14 HG1 GLN 14 -0.276 -8.665 -1.935 118 HE21 GLN 14 1HE2 GLN 14 0.651 -8.202 -3.927 119 HE22 GLN 14 2HE2 GLN 14 0.133 -8.971 -5.383 120 H ARG 15 H ARG 15 3.653 -9.764 -0.208 121 HA ARG 15 HA ARG 15 4.496 -12.337 0.241 122 HB2 ARG 15 HB2 ARG 15 6.799 -11.481 0.456 123 HB3 ARG 15 HB1 ARG 15 5.876 -10.957 -0.943 124 HG2 ARG 15 HG2 ARG 15 7.220 -9.260 -0.228 125 HG3 ARG 15 HG1 ARG 15 5.545 -8.799 0.077 126 HD2 ARG 15 HD2 ARG 15 6.856 -8.097 1.993 127 HD3 ARG 15 HD1 ARG 15 5.874 -9.508 2.416 128 HE ARG 15 HE ARG 15 7.990 -10.810 1.976 129 HH11 ARG 15 HH11 ARG 15 8.238 -7.389 3.003 130 HH12 ARG 15 HH12 ARG 15 9.532 -7.711 4.054 131 HH21 ARG 15 HH21 ARG 15 9.784 -11.163 3.431 132 HH22 ARG 15 HH22 ARG 15 10.417 -9.853 4.318 133 H ARG 16 H ARG 16 3.497 -10.042 2.526 134 HA ARG 16 HA ARG 16 4.658 -11.464 4.749 135 HB2 ARG 16 HB2 ARG 16 2.380 -9.473 4.693 136 HB3 ARG 16 HB1 ARG 16 3.058 -10.157 6.157 137 HG2 ARG 16 HG2 ARG 16 5.216 -9.110 5.592 138 HG3 ARG 16 HG1 ARG 16 4.447 -8.349 4.196 139 HD2 ARG 16 HD2 ARG 16 4.493 -6.788 6.064 140 HD3 ARG 16 HD1 ARG 16 2.835 -7.262 5.698 141 HE ARG 16 HE ARG 16 4.063 -8.892 7.686 142 HH11 ARG 16 HH11 ARG 16 2.311 -5.868 7.209 143 HH12 ARG 16 HH12 ARG 16 1.703 -5.785 8.796 144 HH21 ARG 16 HH21 ARG 16 3.221 -8.790 9.886 145 HH22 ARG 16 HH22 ARG 16 2.215 -7.492 10.340 146 H CYS 17 H CYS 17 1.523 -11.281 3.219 147 HA CYS 17 HA CYS 17 0.136 -13.042 4.832 148 HB2 CYS 17 HB2 CYS 17 -0.163 -12.476 1.885 149 HB3 CYS 17 HB1 CYS 17 -1.271 -13.483 2.805 150 H GLN 18 H GLN 18 2.276 -13.751 2.155 151 HA GLN 18 HA GLN 18 1.568 -16.550 2.216 152 HB2 GLN 18 HB2 GLN 18 3.311 -16.852 0.481 153 HB3 GLN 18 HB1 GLN 18 2.136 -15.607 0.079 154 HG2 GLN 18 HG2 GLN 18 3.710 -13.926 0.879 155 HG3 GLN 18 HG1 GLN 18 4.866 -15.225 1.157 156 HE21 GLN 18 1HE2 GLN 18 2.736 -15.168 -1.627 157 HE22 GLN 18 2HE2 GLN 18 3.981 -14.925 -2.788 158 H SER 19 H SER 19 3.609 -14.667 4.026 159 HA SER 19 HA SER 19 5.368 -16.875 4.673 160 HB2 SER 19 HB2 SER 19 5.342 -14.022 5.670 161 HB3 SER 19 HB1 SER 19 6.610 -15.214 5.970 162 HG SER 19 HG SER 19 6.049 -13.743 3.689 163 H GLU 20 H GLU 20 2.994 -14.715 6.252 164 HA GLU 20 HA GLU 20 3.098 -16.205 8.696 165 HB2 GLU 20 HB2 GLU 20 1.253 -13.998 7.812 166 HB3 GLU 20 HB1 GLU 20 1.412 -14.615 9.452 167 HG2 GLU 20 HG2 GLU 20 3.770 -13.924 9.445 168 HG3 GLU 20 HG1 GLU 20 3.544 -13.265 7.841 169 H GLN 21 H GLN 21 1.115 -16.275 5.798 170 HA GLN 21 HA GLN 21 -0.645 -18.162 7.163 171 HB2 GLN 21 HB2 GLN 21 -1.438 -16.232 4.977 172 HB3 GLN 21 HB1 GLN 21 -2.486 -17.418 5.730 173 HG2 GLN 21 HG2 GLN 21 -1.268 -14.992 7.020 174 HG3 GLN 21 HG1 GLN 21 -2.958 -15.226 6.588 175 HE21 GLN 21 1HE2 GLN 21 -1.801 -14.611 9.159 176 HE22 GLN 21 2HE2 GLN 21 -2.273 -15.869 10.234 177 H GLN 22 H GLN 22 -1.768 -19.596 5.538 178 HA GLN 22 HA GLN 22 -0.456 -19.986 3.011 179 HB2 GLN 22 HB2 GLN 22 -0.031 -22.377 3.451 180 HB3 GLN 22 HB1 GLN 22 0.964 -21.347 4.461 181 HG2 GLN 22 HG2 GLN 22 -0.608 -21.725 6.327 182 HG3 GLN 22 HG1 GLN 22 -1.549 -22.795 5.290 183 HE21 GLN 22 1HE2 GLN 22 -0.686 -24.796 4.740 184 HE22 GLN 22 2HE2 GLN 22 0.624 -25.496 5.602 185 H GLY 23 H GLY 23 -1.596 -21.799 1.888 186 HA2 GLY 23 HA2 GLY 23 -3.525 -22.720 1.057 187 HA3 GLY 23 HA1 GLY 23 -4.025 -22.890 2.731 188 H GLN 24 H GLN 24 -6.012 -22.158 2.915 189 HA GLN 24 HA GLN 24 -7.090 -20.232 1.116 190 HB2 GLN 24 HB2 GLN 24 -8.409 -22.107 2.041 191 HB3 GLN 24 HB1 GLN 24 -8.282 -21.379 3.637 192 HG2 GLN 24 HG2 GLN 24 -10.452 -20.927 2.637 193 HG3 GLN 24 HG1 GLN 24 -9.534 -19.436 2.839 194 HE21 GLN 24 1HE2 GLN 24 -10.737 -18.420 1.282 195 HE22 GLN 24 2HE2 GLN 24 -10.533 -18.721 -0.405 196 H ARG 25 H ARG 25 -5.800 -20.211 4.385 197 HA ARG 25 HA ARG 25 -6.657 -17.678 5.167 198 HB2 ARG 25 HB2 ARG 25 -4.174 -19.234 5.800 199 HB3 ARG 25 HB1 ARG 25 -4.609 -17.732 6.604 200 HG2 ARG 25 HG2 ARG 25 -6.328 -20.169 6.522 201 HG3 ARG 25 HG1 ARG 25 -5.223 -19.801 7.839 202 HD2 ARG 25 HD2 ARG 25 -6.449 -17.566 8.012 203 HD3 ARG 25 HD1 ARG 25 -7.639 -18.242 6.906 204 HE ARG 25 HE ARG 25 -7.064 -19.730 9.313 205 HH11 ARG 25 HH11 ARG 25 -9.368 -17.701 7.512 206 HH12 ARG 25 HH12 ARG 25 -10.543 -17.734 8.743 207 HH21 ARG 25 HH21 ARG 25 -8.732 -19.814 10.947 208 HH22 ARG 25 HH22 ARG 25 -10.197 -18.967 10.722 209 H LEU 26 H LEU 26 -3.971 -18.703 3.178 210 HA LEU 26 HA LEU 26 -2.835 -16.120 2.952 211 HB2 LEU 26 HB2 LEU 26 -1.433 -17.881 2.432 212 HB3 LEU 26 HB1 LEU 26 -2.540 -18.612 1.274 213 HG LEU 26 HG LEU 26 -2.000 -16.834 -0.334 214 HD11 LEU 26 HD11 LEU 26 -1.702 -14.983 1.171 215 HD12 LEU 26 HD12 LEU 26 -0.220 -15.187 0.225 216 HD13 LEU 26 HD13 LEU 26 -0.295 -15.745 1.889 217 HD21 LEU 26 HD21 LEU 26 -0.525 -18.793 -0.263 218 HD22 LEU 26 HD22 LEU 26 0.490 -17.967 0.927 219 HD23 LEU 26 HD23 LEU 26 0.363 -17.331 -0.699 220 H GLN 27 H GLN 27 -5.171 -17.890 1.024 221 HA GLN 27 HA GLN 27 -5.546 -16.004 -0.998 222 HB2 GLN 27 HB2 GLN 27 -7.456 -18.000 0.204 223 HB3 GLN 27 HB1 GLN 27 -7.840 -17.040 -1.215 224 HG2 GLN 27 HG2 GLN 27 -5.498 -18.911 -0.998 225 HG3 GLN 27 HG1 GLN 27 -7.043 -19.326 -1.733 226 HE21 GLN 27 1HE2 GLN 27 -7.427 -16.715 -2.954 227 HE22 GLN 27 2HE2 GLN 27 -6.325 -16.619 -4.268 228 H GLU 28 H GLU 28 -7.269 -16.390 2.081 229 HA GLU 28 HA GLU 28 -8.975 -14.189 1.836 230 HB2 GLU 28 HB2 GLU 28 -7.762 -15.289 4.384 231 HB3 GLU 28 HB1 GLU 28 -9.177 -14.256 4.286 232 HG2 GLU 28 HG2 GLU 28 -10.329 -16.044 3.019 233 HG3 GLU 28 HG1 GLU 28 -8.924 -17.075 3.269 234 H CYS 29 H CYS 29 -5.739 -14.437 3.220 235 HA CYS 29 HA CYS 29 -5.572 -11.810 4.181 236 HB2 CYS 29 HB2 CYS 29 -4.102 -13.742 4.832 237 HB3 CYS 29 HB1 CYS 29 -3.270 -13.548 3.301 238 H GLN 30 H GLN 30 -4.152 -13.186 1.150 239 HA GLN 30 HA GLN 30 -3.217 -10.675 0.288 240 HB2 GLN 30 HB2 GLN 30 -3.012 -11.649 -2.005 241 HB3 GLN 30 HB1 GLN 30 -2.226 -12.585 -0.747 242 HG2 GLN 30 HG2 GLN 30 -3.884 -14.249 -0.825 243 HG3 GLN 30 HG1 GLN 30 -4.964 -13.230 -1.774 244 HE21 GLN 30 1HE2 GLN 30 -1.987 -15.088 -1.860 245 HE22 GLN 30 2HE2 GLN 30 -1.988 -15.269 -3.574 246 H GLN 31 H GLN 31 -6.302 -12.240 -0.179 247 HA GLN 31 HA GLN 31 -7.501 -10.629 -2.101 248 HB2 GLN 31 HB2 GLN 31 -8.561 -12.619 -1.285 249 HB3 GLN 31 HB1 GLN 31 -8.588 -11.995 0.348 250 HG2 GLN 31 HG2 GLN 31 -10.211 -10.289 -0.346 251 HG3 GLN 31 HG1 GLN 31 -10.210 -10.978 -1.972 252 HE21 GLN 31 1HE2 GLN 31 -12.344 -10.762 0.086 253 HE22 GLN 31 2HE2 GLN 31 -12.915 -12.383 0.271 254 H ARG 32 H ARG 32 -7.255 -10.240 1.380 255 HA ARG 32 HA ARG 32 -8.744 -7.832 1.483 256 HB2 ARG 32 HB2 ARG 32 -6.797 -8.980 3.486 257 HB3 ARG 32 HB1 ARG 32 -7.939 -7.672 3.799 258 HG2 ARG 32 HG2 ARG 32 -9.803 -9.139 3.428 259 HG3 ARG 32 HG1 ARG 32 -8.722 -10.441 2.942 260 HD2 ARG 32 HD2 ARG 32 -7.725 -10.343 5.221 261 HD3 ARG 32 HD1 ARG 32 -9.001 -9.201 5.658 262 HE ARG 32 HE ARG 32 -10.339 -11.284 4.588 263 HH11 ARG 32 HH11 ARG 32 -8.062 -10.951 7.281 264 HH12 ARG 32 HH12 ARG 32 -8.604 -12.338 8.106 265 HH21 ARG 32 HH21 ARG 32 -11.113 -13.188 5.756 266 HH22 ARG 32 HH22 ARG 32 -10.357 -13.638 7.207 267 H CYS 33 H CYS 33 -5.339 -8.598 1.173 268 HA CYS 33 HA CYS 33 -4.319 -5.988 1.421 269 HB2 CYS 33 HB2 CYS 33 -3.294 -8.237 -0.322 270 HB3 CYS 33 HB1 CYS 33 -2.398 -6.780 0.087 271 H GLN 34 H GLN 34 -5.753 -7.698 -1.300 272 HA GLN 34 HA GLN 34 -5.241 -5.743 -3.275 273 HB2 GLN 34 HB2 GLN 34 -7.407 -7.830 -3.077 274 HB3 GLN 34 HB1 GLN 34 -7.111 -6.850 -4.505 275 HG2 GLN 34 HG2 GLN 34 -4.892 -7.811 -4.731 276 HG3 GLN 34 HG1 GLN 34 -5.127 -8.738 -3.250 277 HE21 GLN 34 1HE2 GLN 34 -6.060 -8.380 -6.572 278 HE22 GLN 34 2HE2 GLN 34 -6.730 -9.958 -6.760 279 H GLN 35 H GLN 35 -7.789 -6.183 -0.956 280 HA GLN 35 HA GLN 35 -9.437 -4.097 -1.985 281 HB2 GLN 35 HB2 GLN 35 -9.451 -5.204 0.827 282 HB3 GLN 35 HB1 GLN 35 -10.767 -4.360 0.012 283 HG2 GLN 35 HG2 GLN 35 -9.657 -7.069 -0.663 284 HG3 GLN 35 HG1 GLN 35 -11.239 -6.682 0.017 285 HE21 GLN 35 1HE2 GLN 35 -10.241 -7.967 -2.513 286 HE22 GLN 35 2HE2 GLN 35 -11.133 -7.165 -3.760 287 H GLU 36 H GLU 36 -7.092 -4.353 0.617 288 HA GLU 36 HA GLU 36 -7.124 -1.754 1.572 289 HB2 GLU 36 HB2 GLU 36 -4.794 -3.640 1.202 290 HB3 GLU 36 HB1 GLU 36 -4.705 -2.148 2.117 291 HG2 GLU 36 HG2 GLU 36 -6.458 -4.521 2.747 292 HG3 GLU 36 HG1 GLU 36 -4.966 -4.085 3.576 293 H TYR 37 H TYR 37 -5.149 -3.138 -0.991 294 HA TYR 37 HA TYR 37 -3.879 -0.919 -2.010 295 HB2 TYR 37 HB2 TYR 37 -3.230 -3.048 -2.809 296 HB3 TYR 37 HB1 TYR 37 -4.868 -3.461 -3.286 297 HD1 TYR 37 HD1 TYR 37 -2.142 -1.053 -4.103 298 HD2 TYR 37 HD2 TYR 37 -5.479 -3.278 -5.491 299 HE1 TYR 37 HE1 TYR 37 -1.698 -0.274 -6.372 300 HE2 TYR 37 HE2 TYR 37 -5.048 -2.529 -7.778 301 HH TYR 37 HH TYR 37 -2.223 -1.043 -8.756 302 H GLN 38 H GLN 38 -7.063 -2.174 -2.996 303 HA GLN 38 HA GLN 38 -7.538 -0.120 -4.879 304 HB2 GLN 38 HB2 GLN 38 -9.497 -1.932 -3.456 305 HB3 GLN 38 HB1 GLN 38 -9.940 -0.842 -4.762 306 HG2 GLN 38 HG2 GLN 38 -8.423 -2.034 -6.270 307 HG3 GLN 38 HG1 GLN 38 -7.988 -3.127 -4.963 308 HE21 GLN 38 1HE2 GLN 38 -10.763 -3.252 -3.964 309 HE22 GLN 38 2HE2 GLN 38 -11.614 -4.240 -5.064 310 H ARG 39 H ARG 39 -8.343 -0.394 -1.459 311 HA ARG 39 HA ARG 39 -9.856 2.033 -1.475 312 HB2 ARG 39 HB2 ARG 39 -8.795 0.415 0.827 313 HB3 ARG 39 HB1 ARG 39 -9.818 1.831 1.008 314 HG2 ARG 39 HG2 ARG 39 -10.562 -0.767 -0.334 315 HG3 ARG 39 HG1 ARG 39 -11.117 -0.205 1.239 316 HD2 ARG 39 HD2 ARG 39 -11.704 1.079 -1.435 317 HD3 ARG 39 HD1 ARG 39 -12.823 0.138 -0.461 318 HE ARG 39 HE ARG 39 -11.882 2.282 1.079 319 HH11 ARG 39 HH11 ARG 39 -13.974 1.681 -1.704 320 HH12 ARG 39 HH12 ARG 39 -14.924 3.072 -1.503 321 HH21 ARG 39 HH21 ARG 39 -13.216 4.188 1.413 322 HH22 ARG 39 HH22 ARG 39 -14.484 4.549 0.332 323 H GLU 40 H GLU 40 -6.487 1.345 -1.181 324 HA GLU 40 HA GLU 40 -5.822 3.825 0.083 325 HB2 GLU 40 HB2 GLU 40 -4.233 1.941 -1.614 326 HB3 GLU 40 HB1 GLU 40 -3.577 3.444 -1.017 327 HG2 GLU 40 HG2 GLU 40 -4.041 2.610 1.291 328 HG3 GLU 40 HG1 GLU 40 -4.445 1.050 0.550 329 H LYS 41 H LYS 41 -6.323 2.740 -3.156 330 HA LYS 41 HA LYS 41 -5.412 5.248 -4.253 331 HB2 LYS 41 HB2 LYS 41 -6.850 2.971 -5.626 332 HB3 LYS 41 HB1 LYS 41 -6.041 4.310 -6.431 333 HG2 LYS 41 HG2 LYS 41 -3.902 3.512 -5.348 334 HG3 LYS 41 HG1 LYS 41 -4.791 2.072 -4.860 335 HD2 LYS 41 HD2 LYS 41 -4.357 3.037 -7.683 336 HD3 LYS 41 HD1 LYS 41 -3.560 1.665 -6.922 337 HE2 LYS 41 HE2 LYS 41 -5.699 0.516 -6.732 338 HE3 LYS 41 HE1 LYS 41 -6.523 1.914 -7.425 339 HZ1 LYS 41 HZ1 LYS 41 -4.507 0.216 -8.821 340 HZ2 LYS 41 HZ2 LYS 41 -5.247 1.590 -9.460 341 HZ3 LYS 41 HZ3 LYS 41 -6.181 0.236 -9.085 342 H GLY 42 H GLY 42 -8.425 3.524 -3.752 343 HA2 GLY 42 HA2 GLY 42 -10.333 4.640 -2.947 344 HA3 GLY 42 HA1 GLY 42 -9.830 6.087 -3.823 345 H GLN 43 H GLN 43 -10.814 6.447 -5.608 346 HA GLN 43 HA GLN 43 -12.477 4.401 -6.826 347 HB2 GLN 43 HB2 GLN 43 -13.291 6.314 -8.225 348 HB3 GLN 43 HB1 GLN 43 -13.470 6.576 -6.499 349 HG2 GLN 43 HG2 GLN 43 -11.556 8.002 -6.459 350 HG3 GLN 43 HG1 GLN 43 -11.218 7.669 -8.154 351 HE21 GLN 43 1HE2 GLN 43 -14.466 8.195 -6.955 352 HE22 GLN 43 2HE2 GLN 43 -14.677 9.730 -7.700 353 H HIS 44 H HIS 44 -12.405 4.411 -9.358 354 HA HIS 44 HA HIS 44 -9.584 4.179 -10.005 355 HB2 HIS 44 HB2 HIS 44 -10.263 2.827 -11.992 356 HB3 HIS 44 HB1 HIS 44 -10.741 2.116 -10.468 357 HD1 HIS 44 HD1 HIS 44 -12.985 1.053 -10.673 358 HD2 HIS 44 HD2 HIS 44 -12.635 4.399 -13.110 359 HE1 HIS 44 HE1 HIS 44 -15.139 1.205 -11.968 360 H GLN 45 H GLN 45 -11.987 6.313 -10.352 361 HA GLN 45 HA GLN 45 -11.307 7.475 -12.863 362 HB2 GLN 45 HB2 GLN 45 -13.477 7.887 -11.759 363 HB3 GLN 45 HB1 GLN 45 -12.654 8.667 -10.419 364 HG2 GLN 45 HG2 GLN 45 -13.661 10.309 -11.885 365 HG3 GLN 45 HG1 GLN 45 -11.905 10.444 -11.919 366 HE21 GLN 45 1HE2 GLN 45 -14.739 9.517 -13.697 367 HE22 GLN 45 2HE2 GLN 45 -13.975 9.429 -15.242 368 H GLY 46 H GLY 46 -9.450 8.397 -13.265 369 HA2 GLY 46 HA2 GLY 46 -8.104 10.411 -12.245 370 HA3 GLY 46 HA1 GLY 46 -7.672 9.151 -11.084 371 H GLU 47 H GLU 47 -7.134 7.016 -12.250 372 HA GLU 47 HA GLU 47 -5.033 7.616 -14.164 373 HB2 GLU 47 HB2 GLU 47 -5.618 5.272 -12.406 374 HB3 GLU 47 HB1 GLU 47 -4.638 5.023 -13.842 375 HG2 GLU 47 HG2 GLU 47 -3.305 5.426 -11.804 376 HG3 GLU 47 HG1 GLU 47 -3.001 6.589 -13.083 377 H THR 48 H THR 48 -7.995 7.474 -14.584 378 HA THR 48 HA THR 48 -8.603 5.596 -16.543 379 HB THR 48 HB THR 48 -10.176 7.704 -17.065 380 HG1 THR 48 HG1 THR 48 -10.394 8.949 -15.188 381 HG21 THR 48 HG21 THR 48 -10.961 5.554 -16.171 382 HG22 THR 48 HG22 THR 48 -11.698 6.897 -15.296 383 HG23 THR 48 HG23 THR 48 -10.367 6.001 -14.571 384 H ASN 49 H ASN 49 -6.676 8.412 -16.435 385 HA ASN 49 HA ASN 49 -6.282 8.375 -19.328 386 HB2 ASN 49 HB2 ASN 49 -7.456 10.446 -18.462 387 HB3 ASN 49 HB1 ASN 49 -6.032 10.767 -17.480 388 HD21 ASN 49 HD21 ASN 49 -7.342 10.670 -20.677 389 HD22 ASN 49 HD22 ASN 49 -6.100 11.573 -21.440 Start of MODEL 6 1 H1 ARG 1 HT1 ARG 1 10.262 -1.329 -13.917 2 H2 ARG 1 HT2 ARG 1 9.173 -1.042 -15.178 3 H3 ARG 1 HT3 ARG 1 8.642 -1.670 -13.698 4 HA ARG 1 HA ARG 1 9.831 0.988 -14.051 5 HB2 ARG 1 HB2 ARG 1 6.986 0.108 -13.584 6 HB3 ARG 1 HB1 ARG 1 7.544 1.736 -13.280 7 HG2 ARG 1 HG2 ARG 1 8.086 1.980 -15.656 8 HG3 ARG 1 HG1 ARG 1 7.498 0.334 -15.944 9 HD2 ARG 1 HD2 ARG 1 5.302 0.930 -15.181 10 HD3 ARG 1 HD1 ARG 1 5.854 2.530 -14.704 11 HE ARG 1 HE ARG 1 6.403 2.340 -17.363 12 HH11 ARG 1 HH11 ARG 1 3.470 1.959 -15.393 13 HH12 ARG 1 HH12 ARG 1 2.431 2.631 -16.558 14 HH21 ARG 1 HH21 ARG 1 4.930 3.296 -18.966 15 HH22 ARG 1 HH22 ARG 1 3.267 3.389 -18.607 16 H GLY 2 H GLY 2 9.408 2.295 -12.071 17 HA2 GLY 2 HA2 GLY 2 9.698 0.645 -9.679 18 HA3 GLY 2 HA1 GLY 2 10.143 2.349 -9.845 19 HA PRO 3 HA PRO 3 5.374 1.914 -9.430 20 HB2 PRO 3 HB2 PRO 3 4.549 0.093 -7.634 21 HB3 PRO 3 HB1 PRO 3 4.814 -0.299 -9.335 22 HG2 PRO 3 HG2 PRO 3 6.573 -0.807 -6.980 23 HG3 PRO 3 HG1 PRO 3 6.223 -1.854 -8.366 24 HD2 PRO 3 HD2 PRO 3 8.499 -0.349 -8.127 25 HD3 PRO 3 HD1 PRO 3 7.803 -0.844 -9.681 26 H ASP 4 H ASP 4 3.950 2.645 -7.829 27 HA ASP 4 HA ASP 4 5.109 4.540 -6.092 28 HB2 ASP 4 HB2 ASP 4 3.062 5.026 -7.249 29 HB3 ASP 4 HB1 ASP 4 2.266 3.649 -6.476 30 H LYS 5 H LYS 5 4.362 4.868 -3.974 31 HA LYS 5 HA LYS 5 5.375 2.979 -2.150 32 HB2 LYS 5 HB2 LYS 5 3.532 5.300 -1.571 33 HB3 LYS 5 HB1 LYS 5 4.560 4.489 -0.405 34 HG2 LYS 5 HG2 LYS 5 5.517 6.068 -2.793 35 HG3 LYS 5 HG1 LYS 5 5.481 6.650 -1.131 36 HD2 LYS 5 HD2 LYS 5 7.079 4.266 -2.094 37 HD3 LYS 5 HD1 LYS 5 7.727 5.890 -1.885 38 HE2 LYS 5 HE2 LYS 5 7.200 5.811 0.492 39 HE3 LYS 5 HE1 LYS 5 6.495 4.208 0.299 40 HZ1 LYS 5 HZ1 LYS 5 8.664 3.375 -0.358 41 HZ2 LYS 5 HZ2 LYS 5 8.732 4.096 1.155 42 HZ3 LYS 5 HZ3 LYS 5 9.337 4.919 -0.181 43 H SER 6 H SER 6 2.056 3.733 -3.142 44 HA SER 6 HA SER 6 0.753 2.185 -1.180 45 HB2 SER 6 HB2 SER 6 -0.274 2.721 -3.964 46 HB3 SER 6 HB1 SER 6 -1.210 2.520 -2.484 47 HG SER 6 HG SER 6 0.472 4.663 -3.225 48 H TYR 7 H TYR 7 2.094 1.454 -4.340 49 HA TYR 7 HA TYR 7 0.981 -1.190 -4.466 50 HB2 TYR 7 HB2 TYR 7 1.599 0.246 -6.471 51 HB3 TYR 7 HB1 TYR 7 3.275 -0.094 -6.073 52 HD1 TYR 7 HD1 TYR 7 4.272 -2.176 -6.655 53 HD2 TYR 7 HD2 TYR 7 0.097 -1.613 -7.138 54 HE1 TYR 7 HE1 TYR 7 4.146 -4.252 -7.967 55 HE2 TYR 7 HE2 TYR 7 -0.048 -3.682 -8.436 56 HH TYR 7 HH TYR 7 1.348 -5.075 -9.743 57 H LYS 8 H LYS 8 3.964 0.315 -3.468 58 HA LYS 8 HA LYS 8 5.425 -2.021 -3.003 59 HB2 LYS 8 HB2 LYS 8 5.505 0.657 -1.597 60 HB3 LYS 8 HB1 LYS 8 6.647 -0.632 -1.261 61 HG2 LYS 8 HG2 LYS 8 6.274 0.621 -3.976 62 HG3 LYS 8 HG1 LYS 8 7.487 1.138 -2.804 63 HD2 LYS 8 HD2 LYS 8 8.453 -1.133 -2.834 64 HD3 LYS 8 HD1 LYS 8 7.259 -1.614 -4.038 65 HE2 LYS 8 HE2 LYS 8 8.151 -0.015 -5.617 66 HE3 LYS 8 HE1 LYS 8 9.257 0.607 -4.397 67 HZ1 LYS 8 HZ1 LYS 8 10.292 -0.932 -5.988 68 HZ2 LYS 8 HZ2 LYS 8 9.358 -2.204 -5.399 69 HZ3 LYS 8 HZ3 LYS 8 10.453 -1.396 -4.396 70 H ARG 9 H ARG 9 3.235 -0.144 -0.925 71 HA ARG 9 HA ARG 9 3.207 -1.699 1.378 72 HB2 ARG 9 HB2 ARG 9 0.894 -0.249 0.074 73 HB3 ARG 9 HB1 ARG 9 0.827 -0.937 1.682 74 HG2 ARG 9 HG2 ARG 9 2.523 0.608 2.445 75 HG3 ARG 9 HG1 ARG 9 2.711 1.238 0.806 76 HD2 ARG 9 HD2 ARG 9 1.316 2.729 2.128 77 HD3 ARG 9 HD1 ARG 9 0.378 1.995 0.832 78 HE ARG 9 HE ARG 9 0.209 0.588 3.320 79 HH11 ARG 9 HH11 ARG 9 -1.194 3.304 1.482 80 HH12 ARG 9 HH12 ARG 9 -2.678 3.292 2.335 81 HH21 ARG 9 HH21 ARG 9 -1.901 0.599 4.455 82 HH22 ARG 9 HH22 ARG 9 -3.080 1.746 3.992 83 H LEU 10 H LEU 10 1.354 -2.089 -1.588 84 HA LEU 10 HA LEU 10 -0.192 -4.293 -0.835 85 HB2 LEU 10 HB2 LEU 10 -0.716 -3.087 -2.828 86 HB3 LEU 10 HB1 LEU 10 0.832 -3.475 -3.553 87 HG LEU 10 HG LEU 10 0.139 -5.856 -3.597 88 HD11 LEU 10 HD11 LEU 10 -2.197 -6.421 -3.230 89 HD12 LEU 10 HD12 LEU 10 -2.515 -4.772 -2.687 90 HD13 LEU 10 HD13 LEU 10 -1.421 -5.812 -1.771 91 HD21 LEU 10 HD21 LEU 10 -1.446 -5.621 -5.433 92 HD22 LEU 10 HD22 LEU 10 -0.129 -4.454 -5.563 93 HD23 LEU 10 HD23 LEU 10 -1.716 -3.936 -4.990 94 H GLN 11 H GLN 11 2.930 -4.175 -2.464 95 HA GLN 11 HA GLN 11 3.268 -6.946 -2.708 96 HB2 GLN 11 HB2 GLN 11 5.333 -4.759 -2.556 97 HB3 GLN 11 HB1 GLN 11 5.673 -6.421 -3.024 98 HG2 GLN 11 HG2 GLN 11 4.182 -6.212 -4.927 99 HG3 GLN 11 HG1 GLN 11 3.783 -4.568 -4.443 100 HE21 GLN 11 1HE2 GLN 11 5.237 -2.967 -4.759 101 HE22 GLN 11 2HE2 GLN 11 6.639 -3.157 -5.772 102 H GLU 12 H GLU 12 4.408 -4.691 -0.224 103 HA GLU 12 HA GLU 12 5.678 -6.483 1.481 104 HB2 GLU 12 HB2 GLU 12 3.982 -4.080 2.182 105 HB3 GLU 12 HB1 GLU 12 5.046 -4.910 3.304 106 HG2 GLU 12 HG2 GLU 12 5.924 -3.523 0.784 107 HG3 GLU 12 HG1 GLU 12 6.009 -2.837 2.403 108 H CYS 13 H CYS 13 2.290 -5.530 1.348 109 HA CYS 13 HA CYS 13 1.279 -6.992 3.493 110 HB2 CYS 13 HB2 CYS 13 0.097 -5.179 2.211 111 HB3 CYS 13 HB1 CYS 13 -0.163 -6.334 0.914 112 H GLN 14 H GLN 14 1.292 -7.822 0.049 113 HA GLN 14 HA GLN 14 0.140 -10.356 0.383 114 HB2 GLN 14 HB2 GLN 14 1.629 -9.112 -1.923 115 HB3 GLN 14 HB1 GLN 14 0.898 -10.712 -2.015 116 HG2 GLN 14 HG2 GLN 14 -1.292 -9.790 -1.573 117 HG3 GLN 14 HG1 GLN 14 -0.601 -8.198 -1.315 118 HE21 GLN 14 1HE2 GLN 14 1.174 -8.251 -3.602 119 HE22 GLN 14 2HE2 GLN 14 0.184 -8.162 -4.997 120 H ARG 15 H ARG 15 3.548 -9.381 0.122 121 HA ARG 15 HA ARG 15 4.507 -12.025 0.056 122 HB2 ARG 15 HB2 ARG 15 5.910 -9.480 0.891 123 HB3 ARG 15 HB1 ARG 15 6.720 -11.016 0.638 124 HG2 ARG 15 HG2 ARG 15 5.257 -9.392 -1.405 125 HG3 ARG 15 HG1 ARG 15 6.998 -9.598 -1.263 126 HD2 ARG 15 HD2 ARG 15 6.696 -12.026 -1.689 127 HD3 ARG 15 HD1 ARG 15 4.968 -11.741 -1.909 128 HE ARG 15 HE ARG 15 6.662 -10.115 -3.519 129 HH11 ARG 15 HH11 ARG 15 4.791 -13.150 -3.388 130 HH12 ARG 15 HH12 ARG 15 4.868 -13.425 -5.063 131 HH21 ARG 15 HH21 ARG 15 6.739 -10.516 -5.844 132 HH22 ARG 15 HH22 ARG 15 6.005 -11.908 -6.493 133 H ARG 16 H ARG 16 3.758 -9.865 2.731 134 HA ARG 16 HA ARG 16 4.816 -11.616 4.711 135 HB2 ARG 16 HB2 ARG 16 2.745 -9.439 4.898 136 HB3 ARG 16 HB1 ARG 16 3.324 -10.337 6.294 137 HG2 ARG 16 HG2 ARG 16 5.548 -9.547 5.915 138 HG3 ARG 16 HG1 ARG 16 5.037 -8.695 4.459 139 HD2 ARG 16 HD2 ARG 16 5.197 -7.150 6.345 140 HD3 ARG 16 HD1 ARG 16 3.539 -7.306 5.771 141 HE ARG 16 HE ARG 16 4.402 -8.920 8.043 142 HH11 ARG 16 HH11 ARG 16 2.353 -6.318 6.748 143 HH12 ARG 16 HH12 ARG 16 1.558 -6.018 8.219 144 HH21 ARG 16 HH21 ARG 16 3.235 -8.467 10.110 145 HH22 ARG 16 HH22 ARG 16 2.058 -7.227 10.127 146 H CYS 17 H CYS 17 1.669 -11.183 3.327 147 HA CYS 17 HA CYS 17 0.261 -13.022 4.862 148 HB2 CYS 17 HB2 CYS 17 -0.118 -12.221 1.991 149 HB3 CYS 17 HB1 CYS 17 -1.222 -13.294 2.832 150 H GLN 18 H GLN 18 2.289 -13.605 2.033 151 HA GLN 18 HA GLN 18 1.486 -16.386 1.982 152 HB2 GLN 18 HB2 GLN 18 3.076 -16.646 0.111 153 HB3 GLN 18 HB1 GLN 18 1.932 -15.332 -0.139 154 HG2 GLN 18 HG2 GLN 18 3.598 -13.744 0.540 155 HG3 GLN 18 HG1 GLN 18 4.733 -15.075 0.802 156 HE21 GLN 18 1HE2 GLN 18 5.689 -16.030 -0.938 157 HE22 GLN 18 2HE2 GLN 18 5.577 -15.455 -2.546 158 H SER 19 H SER 19 3.732 -14.654 3.708 159 HA SER 19 HA SER 19 5.488 -16.917 4.103 160 HB2 SER 19 HB2 SER 19 5.463 -14.194 5.434 161 HB3 SER 19 HB1 SER 19 6.758 -15.388 5.536 162 HG SER 19 HG SER 19 5.928 -13.872 3.274 163 H GLU 20 H GLU 20 3.157 -14.964 5.984 164 HA GLU 20 HA GLU 20 3.394 -16.706 8.271 165 HB2 GLU 20 HB2 GLU 20 1.608 -14.337 7.792 166 HB3 GLU 20 HB1 GLU 20 1.873 -15.142 9.331 167 HG2 GLU 20 HG2 GLU 20 4.279 -14.549 9.134 168 HG3 GLU 20 HG1 GLU 20 3.873 -13.623 7.703 169 H GLN 21 H GLN 21 1.220 -16.372 5.572 170 HA GLN 21 HA GLN 21 -0.680 -18.145 6.933 171 HB2 GLN 21 HB2 GLN 21 -1.216 -16.031 4.840 172 HB3 GLN 21 HB1 GLN 21 -2.418 -17.140 5.478 173 HG2 GLN 21 HG2 GLN 21 -0.896 -15.205 7.207 174 HG3 GLN 21 HG1 GLN 21 -2.441 -14.819 6.457 175 HE21 GLN 21 1HE2 GLN 21 -0.845 -16.817 8.846 176 HE22 GLN 21 2HE2 GLN 21 -2.300 -17.218 9.665 177 H GLN 22 H GLN 22 -1.847 -19.568 5.479 178 HA GLN 22 HA GLN 22 -0.726 -20.099 2.875 179 HB2 GLN 22 HB2 GLN 22 -0.369 -22.501 3.436 180 HB3 GLN 22 HB1 GLN 22 0.755 -21.427 4.250 181 HG2 GLN 22 HG2 GLN 22 -0.662 -21.560 6.275 182 HG3 GLN 22 HG1 GLN 22 -1.684 -22.726 5.436 183 HE21 GLN 22 1HE2 GLN 22 -0.109 -22.973 7.865 184 HE22 GLN 22 2HE2 GLN 22 0.965 -24.292 7.604 185 H GLY 23 H GLY 23 -1.982 -22.003 1.942 186 HA2 GLY 23 HA2 GLY 23 -3.976 -22.883 1.265 187 HA3 GLY 23 HA1 GLY 23 -4.406 -22.908 2.967 188 H GLN 24 H GLN 24 -6.356 -22.097 3.156 189 HA GLN 24 HA GLN 24 -7.390 -20.140 1.351 190 HB2 GLN 24 HB2 GLN 24 -8.796 -21.891 2.443 191 HB3 GLN 24 HB1 GLN 24 -8.545 -21.069 3.981 192 HG2 GLN 24 HG2 GLN 24 -10.708 -20.476 3.048 193 HG3 GLN 24 HG1 GLN 24 -9.646 -19.069 3.086 194 HE21 GLN 24 1HE2 GLN 24 -10.742 -17.972 1.418 195 HE22 GLN 24 2HE2 GLN 24 -10.674 -18.525 -0.199 196 H ARG 25 H ARG 25 -5.871 -20.141 4.462 197 HA ARG 25 HA ARG 25 -6.698 -17.607 5.372 198 HB2 ARG 25 HB2 ARG 25 -4.061 -18.955 5.913 199 HB3 ARG 25 HB1 ARG 25 -4.843 -17.737 6.907 200 HG2 ARG 25 HG2 ARG 25 -5.891 -20.496 6.384 201 HG3 ARG 25 HG1 ARG 25 -5.026 -20.012 7.830 202 HD2 ARG 25 HD2 ARG 25 -6.864 -18.391 8.292 203 HD3 ARG 25 HD1 ARG 25 -7.710 -19.011 6.871 204 HE ARG 25 HE ARG 25 -6.940 -21.059 8.694 205 HH11 ARG 25 HH11 ARG 25 -9.491 -18.703 8.006 206 HH12 ARG 25 HH12 ARG 25 -10.704 -19.540 8.860 207 HH21 ARG 25 HH21 ARG 25 -8.615 -22.195 9.926 208 HH22 ARG 25 HH22 ARG 25 -10.187 -21.541 9.987 209 H LEU 26 H LEU 26 -3.951 -18.654 3.399 210 HA LEU 26 HA LEU 26 -2.843 -16.072 3.073 211 HB2 LEU 26 HB2 LEU 26 -1.415 -17.819 2.516 212 HB3 LEU 26 HB1 LEU 26 -2.571 -18.593 1.442 213 HG LEU 26 HG LEU 26 -2.170 -16.866 -0.251 214 HD11 LEU 26 HD11 LEU 26 -0.329 -15.632 1.784 215 HD12 LEU 26 HD12 LEU 26 -1.814 -14.938 1.132 216 HD13 LEU 26 HD13 LEU 26 -0.410 -15.168 0.086 217 HD21 LEU 26 HD21 LEU 26 -0.652 -18.780 -0.237 218 HD22 LEU 26 HD22 LEU 26 0.418 -17.915 0.876 219 HD23 LEU 26 HD23 LEU 26 0.185 -17.311 -0.749 220 H GLN 27 H GLN 27 -5.132 -17.905 1.145 221 HA GLN 27 HA GLN 27 -5.477 -16.039 -0.879 222 HB2 GLN 27 HB2 GLN 27 -7.410 -18.059 0.249 223 HB3 GLN 27 HB1 GLN 27 -7.734 -17.117 -1.202 224 HG2 GLN 27 HG2 GLN 27 -5.781 -18.069 -2.286 225 HG3 GLN 27 HG1 GLN 27 -5.390 -18.963 -0.822 226 HE21 GLN 27 1HE2 GLN 27 -6.521 -20.799 -0.336 227 HE22 GLN 27 2HE2 GLN 27 -7.608 -21.544 -1.445 228 H GLU 28 H GLU 28 -7.233 -16.283 2.212 229 HA GLU 28 HA GLU 28 -8.859 -14.044 1.783 230 HB2 GLU 28 HB2 GLU 28 -7.884 -15.332 4.311 231 HB3 GLU 28 HB1 GLU 28 -9.111 -14.072 4.245 232 HG2 GLU 28 HG2 GLU 28 -9.274 -16.762 2.940 233 HG3 GLU 28 HG1 GLU 28 -10.095 -16.291 4.423 234 H CYS 29 H CYS 29 -5.654 -14.360 3.233 235 HA CYS 29 HA CYS 29 -5.507 -11.718 4.218 236 HB2 CYS 29 HB2 CYS 29 -4.064 -13.695 4.913 237 HB3 CYS 29 HB1 CYS 29 -3.174 -13.472 3.420 238 H GLN 30 H GLN 30 -4.235 -13.219 1.222 239 HA GLN 30 HA GLN 30 -3.230 -10.757 0.229 240 HB2 GLN 30 HB2 GLN 30 -2.980 -11.881 -1.937 241 HB3 GLN 30 HB1 GLN 30 -2.337 -12.846 -0.620 242 HG2 GLN 30 HG2 GLN 30 -4.314 -14.239 -0.650 243 HG3 GLN 30 HG1 GLN 30 -5.013 -13.259 -1.932 244 HE21 GLN 30 1HE2 GLN 30 -1.627 -14.051 -1.841 245 HE22 GLN 30 2HE2 GLN 30 -1.651 -15.140 -3.167 246 H GLN 31 H GLN 31 -6.359 -12.280 0.055 247 HA GLN 31 HA GLN 31 -7.560 -10.708 -1.925 248 HB2 GLN 31 HB2 GLN 31 -8.616 -12.697 -0.846 249 HB3 GLN 31 HB1 GLN 31 -8.808 -11.762 0.624 250 HG2 GLN 31 HG2 GLN 31 -10.902 -11.866 -0.563 251 HG3 GLN 31 HG1 GLN 31 -10.292 -10.212 -0.568 252 HE21 GLN 31 1HE2 GLN 31 -10.842 -13.052 -2.473 253 HE22 GLN 31 2HE2 GLN 31 -10.715 -12.308 -4.008 254 H ARG 32 H ARG 32 -7.241 -10.238 1.587 255 HA ARG 32 HA ARG 32 -8.453 -7.731 1.790 256 HB2 ARG 32 HB2 ARG 32 -6.182 -8.907 3.354 257 HB3 ARG 32 HB1 ARG 32 -6.802 -7.303 3.675 258 HG2 ARG 32 HG2 ARG 32 -9.046 -8.407 4.023 259 HG3 ARG 32 HG1 ARG 32 -8.165 -9.943 4.020 260 HD2 ARG 32 HD2 ARG 32 -8.428 -9.110 6.306 261 HD3 ARG 32 HD1 ARG 32 -6.730 -9.123 5.828 262 HE ARG 32 HE ARG 32 -7.362 -6.616 5.241 263 HH11 ARG 32 HH11 ARG 32 -7.991 -8.484 8.180 264 HH12 ARG 32 HH12 ARG 32 -8.150 -7.121 9.183 265 HH21 ARG 32 HH21 ARG 32 -7.598 -4.748 6.595 266 HH22 ARG 32 HH22 ARG 32 -7.932 -4.935 8.259 267 H CYS 33 H CYS 33 -5.056 -8.539 1.275 268 HA CYS 33 HA CYS 33 -4.045 -5.985 1.076 269 HB2 CYS 33 HB2 CYS 33 -3.170 -8.402 -0.516 270 HB3 CYS 33 HB1 CYS 33 -2.222 -6.945 -0.251 271 H GLN 34 H GLN 34 -5.442 -7.995 -1.518 272 HA GLN 34 HA GLN 34 -5.175 -6.144 -3.598 273 HB2 GLN 34 HB2 GLN 34 -7.057 -8.421 -3.111 274 HB3 GLN 34 HB1 GLN 34 -7.270 -7.377 -4.503 275 HG2 GLN 34 HG2 GLN 34 -4.770 -8.937 -3.892 276 HG3 GLN 34 HG1 GLN 34 -6.038 -9.452 -5.010 277 HE21 GLN 34 1HE2 GLN 34 -3.310 -7.426 -4.546 278 HE22 GLN 34 2HE2 GLN 34 -3.283 -6.737 -6.128 279 H GLN 35 H GLN 35 -7.898 -6.655 -1.375 280 HA GLN 35 HA GLN 35 -9.603 -4.741 -2.595 281 HB2 GLN 35 HB2 GLN 35 -9.665 -5.730 0.261 282 HB3 GLN 35 HB1 GLN 35 -10.956 -4.870 -0.553 283 HG2 GLN 35 HG2 GLN 35 -9.957 -7.650 -1.110 284 HG3 GLN 35 HG1 GLN 35 -11.534 -7.171 -0.491 285 HE21 GLN 35 1HE2 GLN 35 -9.557 -7.550 -3.237 286 HE22 GLN 35 2HE2 GLN 35 -10.763 -7.246 -4.440 287 H GLU 36 H GLU 36 -7.604 -4.584 0.283 288 HA GLU 36 HA GLU 36 -8.272 -1.961 0.984 289 HB2 GLU 36 HB2 GLU 36 -6.049 -3.794 1.721 290 HB3 GLU 36 HB1 GLU 36 -6.240 -2.205 2.446 291 HG2 GLU 36 HG2 GLU 36 -8.499 -2.861 3.228 292 HG3 GLU 36 HG1 GLU 36 -8.329 -4.412 2.423 293 H TYR 37 H TYR 37 -5.564 -3.249 -0.755 294 HA TYR 37 HA TYR 37 -4.203 -0.869 -1.302 295 HB2 TYR 37 HB2 TYR 37 -3.122 -2.863 -1.982 296 HB3 TYR 37 HB1 TYR 37 -4.478 -3.355 -2.989 297 HD1 TYR 37 HD1 TYR 37 -1.867 -0.699 -2.705 298 HD2 TYR 37 HD2 TYR 37 -4.455 -2.892 -5.269 299 HE1 TYR 37 HE1 TYR 37 -0.844 0.376 -4.657 300 HE2 TYR 37 HE2 TYR 37 -3.429 -1.825 -7.224 301 HH TYR 37 HH TYR 37 -2.260 0.167 -7.726 302 H GLN 38 H GLN 38 -7.003 -2.215 -2.981 303 HA GLN 38 HA GLN 38 -7.047 -0.198 -4.982 304 HB2 GLN 38 HB2 GLN 38 -9.222 -2.049 -4.006 305 HB3 GLN 38 HB1 GLN 38 -9.366 -0.990 -5.406 306 HG2 GLN 38 HG2 GLN 38 -7.576 -2.131 -6.519 307 HG3 GLN 38 HG1 GLN 38 -7.277 -3.123 -5.096 308 HE21 GLN 38 1HE2 GLN 38 -8.664 -4.739 -4.624 309 HE22 GLN 38 2HE2 GLN 38 -9.797 -5.411 -5.751 310 H ARG 39 H ARG 39 -8.184 -0.358 -1.765 311 HA ARG 39 HA ARG 39 -9.953 1.890 -1.936 312 HB2 ARG 39 HB2 ARG 39 -8.674 0.609 0.489 313 HB3 ARG 39 HB1 ARG 39 -9.976 1.789 0.524 314 HG2 ARG 39 HG2 ARG 39 -11.466 0.232 -0.569 315 HG3 ARG 39 HG1 ARG 39 -10.158 -0.939 -0.730 316 HD2 ARG 39 HD2 ARG 39 -11.558 -1.540 1.141 317 HD3 ARG 39 HD1 ARG 39 -9.979 -1.036 1.732 318 HE ARG 39 HE ARG 39 -11.822 1.115 1.678 319 HH11 ARG 39 HH11 ARG 39 -11.014 -1.768 3.575 320 HH12 ARG 39 HH12 ARG 39 -11.556 -1.125 5.051 321 HH21 ARG 39 HH21 ARG 39 -12.641 1.961 3.671 322 HH22 ARG 39 HH22 ARG 39 -12.574 1.037 5.102 323 H GLU 40 H GLU 40 -6.574 1.376 -1.233 324 HA GLU 40 HA GLU 40 -6.272 4.262 -0.802 325 HB2 GLU 40 HB2 GLU 40 -4.630 1.996 0.300 326 HB3 GLU 40 HB1 GLU 40 -4.221 3.696 0.476 327 HG2 GLU 40 HG2 GLU 40 -6.377 4.041 1.627 328 HG3 GLU 40 HG1 GLU 40 -6.643 2.298 1.523 329 H LYS 41 H LYS 41 -6.231 2.912 -3.336 330 HA LYS 41 HA LYS 41 -3.583 2.460 -4.217 331 HB2 LYS 41 HB2 LYS 41 -4.521 2.493 -6.528 332 HB3 LYS 41 HB1 LYS 41 -5.377 1.426 -5.429 333 HG2 LYS 41 HG2 LYS 41 -7.131 3.125 -5.170 334 HG3 LYS 41 HG1 LYS 41 -6.271 4.167 -6.303 335 HD2 LYS 41 HD2 LYS 41 -6.519 2.443 -8.043 336 HD3 LYS 41 HD1 LYS 41 -7.404 1.433 -6.895 337 HE2 LYS 41 HE2 LYS 41 -9.099 3.182 -6.673 338 HE3 LYS 41 HE1 LYS 41 -8.226 4.179 -7.831 339 HZ1 LYS 41 HZ1 LYS 41 -8.598 2.436 -9.507 340 HZ2 LYS 41 HZ2 LYS 41 -10.040 3.039 -8.891 341 HZ3 LYS 41 HZ3 LYS 41 -9.480 1.544 -8.379 342 H GLY 42 H GLY 42 -5.632 5.333 -4.541 343 HA2 GLY 42 HA2 GLY 42 -3.174 6.812 -5.138 344 HA3 GLY 42 HA1 GLY 42 -4.617 7.048 -6.112 345 H GLN 43 H GLN 43 -3.814 6.889 -2.662 346 HA GLN 43 HA GLN 43 -5.866 8.816 -2.090 347 HB2 GLN 43 HB2 GLN 43 -3.764 7.636 -0.274 348 HB3 GLN 43 HB1 GLN 43 -5.082 8.676 0.240 349 HG2 GLN 43 HG2 GLN 43 -5.309 5.964 -0.993 350 HG3 GLN 43 HG1 GLN 43 -5.582 6.360 0.705 351 HE21 GLN 43 1HE2 GLN 43 -7.438 7.580 1.238 352 HE22 GLN 43 2HE2 GLN 43 -8.798 7.623 0.172 353 H HIS 44 H HIS 44 -5.508 10.814 -1.132 354 HA HIS 44 HA HIS 44 -3.309 12.164 -2.410 355 HB2 HIS 44 HB2 HIS 44 -5.767 13.185 -0.995 356 HB3 HIS 44 HB1 HIS 44 -4.507 14.239 -1.629 357 HD1 HIS 44 HD1 HIS 44 -4.574 14.742 -4.131 358 HD2 HIS 44 HD2 HIS 44 -7.230 11.757 -3.001 359 HE1 HIS 44 HE1 HIS 44 -6.000 14.275 -6.144 360 H GLN 45 H GLN 45 -2.977 10.496 0.119 361 HA GLN 45 HA GLN 45 -1.845 12.525 1.853 362 HB2 GLN 45 HB2 GLN 45 -1.873 9.507 2.084 363 HB3 GLN 45 HB1 GLN 45 -1.186 10.605 3.263 364 HG2 GLN 45 HG2 GLN 45 -4.076 10.341 2.501 365 HG3 GLN 45 HG1 GLN 45 -3.333 9.853 4.020 366 HE21 GLN 45 1HE2 GLN 45 -4.514 12.492 2.151 367 HE22 GLN 45 2HE2 GLN 45 -4.417 13.691 3.385 368 H GLY 46 H GLY 46 -0.981 10.018 -0.398 369 HA2 GLY 46 HA2 GLY 46 1.845 10.668 -0.128 370 HA3 GLY 46 HA1 GLY 46 1.170 9.300 -1.005 371 H GLU 47 H GLU 47 3.009 10.834 -2.238 372 HA GLU 47 HA GLU 47 1.685 12.846 -3.857 373 HB2 GLU 47 HB2 GLU 47 4.493 11.754 -3.865 374 HB3 GLU 47 HB1 GLU 47 3.939 13.046 -4.916 375 HG2 GLU 47 HG2 GLU 47 3.923 13.163 -1.913 376 HG3 GLU 47 HG1 GLU 47 5.211 13.809 -2.926 377 H THR 48 H THR 48 1.499 12.700 -6.132 378 HA THR 48 HA THR 48 1.419 9.968 -7.137 379 HB THR 48 HB THR 48 -0.689 11.158 -7.481 380 HG1 THR 48 HG1 THR 48 0.862 10.495 -9.676 381 HG21 THR 48 HG21 THR 48 -0.844 13.177 -8.884 382 HG22 THR 48 HG22 THR 48 0.917 13.230 -8.987 383 HG23 THR 48 HG23 THR 48 0.118 13.463 -7.433 384 H ASN 49 H ASN 49 3.419 12.558 -7.008 385 HA ASN 49 HA ASN 49 4.974 11.577 -9.272 386 HB2 ASN 49 HB2 ASN 49 4.758 14.478 -8.390 387 HB3 ASN 49 HB1 ASN 49 5.838 13.869 -9.629 388 HD21 ASN 49 HD21 ASN 49 2.653 14.811 -8.843 389 HD22 ASN 49 HD22 ASN 49 1.976 14.756 -10.423 Start of MODEL 7 1 H1 ARG 1 HT1 ARG 1 9.534 -2.479 -11.473 2 H2 ARG 1 HT2 ARG 1 8.907 -1.913 -12.937 3 H3 ARG 1 HT3 ARG 1 8.438 -3.417 -12.352 4 HA ARG 1 HA ARG 1 6.732 -1.774 -11.997 5 HB2 ARG 1 HB2 ARG 1 8.151 -2.660 -9.488 6 HB3 ARG 1 HB1 ARG 1 6.545 -1.959 -9.509 7 HG2 ARG 1 HG2 ARG 1 5.723 -3.839 -10.796 8 HG3 ARG 1 HG1 ARG 1 7.349 -4.529 -10.847 9 HD2 ARG 1 HD2 ARG 1 7.376 -4.728 -8.441 10 HD3 ARG 1 HD1 ARG 1 5.800 -3.948 -8.336 11 HE ARG 1 HE ARG 1 5.386 -6.078 -9.965 12 HH11 ARG 1 HH11 ARG 1 6.626 -5.735 -6.628 13 HH12 ARG 1 HH12 ARG 1 6.101 -7.271 -6.151 14 HH21 ARG 1 HH21 ARG 1 4.722 -8.209 -9.257 15 HH22 ARG 1 HH22 ARG 1 5.039 -8.693 -7.652 16 H GLY 2 H GLY 2 6.226 0.315 -11.636 17 HA2 GLY 2 HA2 GLY 2 8.329 2.128 -10.782 18 HA3 GLY 2 HA1 GLY 2 6.763 2.588 -11.459 19 HA PRO 3 HA PRO 3 6.809 2.060 -6.641 20 HB2 PRO 3 HB2 PRO 3 7.533 4.850 -6.326 21 HB3 PRO 3 HB1 PRO 3 8.118 3.401 -5.487 22 HG2 PRO 3 HG2 PRO 3 9.723 4.584 -7.236 23 HG3 PRO 3 HG1 PRO 3 9.512 2.804 -7.173 24 HD2 PRO 3 HD2 PRO 3 8.167 4.739 -9.041 25 HD3 PRO 3 HD1 PRO 3 9.127 3.291 -9.446 26 H ASP 4 H ASP 4 4.863 1.953 -6.705 27 HA ASP 4 HA ASP 4 3.139 4.355 -6.414 28 HB2 ASP 4 HB2 ASP 4 2.407 1.483 -6.937 29 HB3 ASP 4 HB1 ASP 4 1.253 2.587 -6.203 30 H LYS 5 H LYS 5 2.368 4.875 -4.443 31 HA LYS 5 HA LYS 5 3.644 3.603 -2.239 32 HB2 LYS 5 HB2 LYS 5 2.307 5.159 -0.805 33 HB3 LYS 5 HB1 LYS 5 3.261 5.947 -2.046 34 HG2 LYS 5 HG2 LYS 5 1.259 6.223 -3.409 35 HG3 LYS 5 HG1 LYS 5 0.296 5.441 -2.148 36 HD2 LYS 5 HD2 LYS 5 0.987 7.198 -0.576 37 HD3 LYS 5 HD1 LYS 5 1.906 7.968 -1.866 38 HE2 LYS 5 HE2 LYS 5 -0.109 8.340 -3.130 39 HE3 LYS 5 HE1 LYS 5 -1.063 7.491 -1.912 40 HZ1 LYS 5 HZ1 LYS 5 -0.456 9.200 -0.316 41 HZ2 LYS 5 HZ2 LYS 5 -1.217 9.867 -1.645 42 HZ3 LYS 5 HZ3 LYS 5 0.452 10.009 -1.489 43 H SER 6 H SER 6 0.419 3.459 -3.546 44 HA SER 6 HA SER 6 -0.703 1.874 -1.502 45 HB2 SER 6 HB2 SER 6 -1.475 2.070 -4.410 46 HB3 SER 6 HB1 SER 6 -2.517 1.620 -3.055 47 HG SER 6 HG SER 6 -2.225 3.681 -2.196 48 H TYR 7 H TYR 7 1.193 1.218 -4.367 49 HA TYR 7 HA TYR 7 0.589 -1.598 -4.362 50 HB2 TYR 7 HB2 TYR 7 1.162 -0.187 -6.434 51 HB3 TYR 7 HB1 TYR 7 2.829 -0.297 -5.878 52 HD1 TYR 7 HD1 TYR 7 -0.023 -2.159 -7.189 53 HD2 TYR 7 HD2 TYR 7 4.046 -2.365 -6.051 54 HE1 TYR 7 HE1 TYR 7 0.151 -4.320 -8.311 55 HE2 TYR 7 HE2 TYR 7 4.243 -4.552 -7.196 56 HH TYR 7 HH TYR 7 1.863 -5.691 -9.308 57 H LYS 8 H LYS 8 3.083 0.530 -3.173 58 HA LYS 8 HA LYS 8 4.943 -1.362 -2.421 59 HB2 LYS 8 HB2 LYS 8 4.140 1.232 -1.103 60 HB3 LYS 8 HB1 LYS 8 5.457 0.266 -0.476 61 HG2 LYS 8 HG2 LYS 8 5.323 1.450 -3.248 62 HG3 LYS 8 HG1 LYS 8 6.207 2.139 -1.889 63 HD2 LYS 8 HD2 LYS 8 6.726 -0.548 -3.185 64 HD3 LYS 8 HD1 LYS 8 7.708 0.904 -3.360 65 HE2 LYS 8 HE2 LYS 8 8.132 0.860 -0.907 66 HE3 LYS 8 HE1 LYS 8 7.234 -0.649 -0.816 67 HZ1 LYS 8 HZ1 LYS 8 8.840 -1.686 -2.244 68 HZ2 LYS 8 HZ2 LYS 8 9.616 -0.997 -0.913 69 HZ3 LYS 8 HZ3 LYS 8 9.678 -0.230 -2.416 70 H ARG 9 H ARG 9 2.080 -0.145 -0.755 71 HA ARG 9 HA ARG 9 2.151 -1.696 1.573 72 HB2 ARG 9 HB2 ARG 9 -0.283 -0.872 -0.020 73 HB3 ARG 9 HB1 ARG 9 -0.318 -1.499 1.610 74 HG2 ARG 9 HG2 ARG 9 1.012 0.522 2.302 75 HG3 ARG 9 HG1 ARG 9 0.755 1.147 0.668 76 HD2 ARG 9 HD2 ARG 9 -0.946 1.996 2.250 77 HD3 ARG 9 HD1 ARG 9 -1.664 1.017 0.967 78 HE ARG 9 HE ARG 9 -0.982 -0.504 3.285 79 HH11 ARG 9 HH11 ARG 9 -3.603 1.561 1.996 80 HH12 ARG 9 HH12 ARG 9 -4.785 0.747 2.946 81 HH21 ARG 9 HH21 ARG 9 -2.628 -1.522 4.500 82 HH22 ARG 9 HH22 ARG 9 -4.246 -0.978 4.368 83 H LEU 10 H LEU 10 0.657 -2.324 -1.559 84 HA LEU 10 HA LEU 10 -0.470 -4.788 -0.969 85 HB2 LEU 10 HB2 LEU 10 -1.092 -3.468 -2.914 86 HB3 LEU 10 HB1 LEU 10 0.482 -3.760 -3.630 87 HG LEU 10 HG LEU 10 -0.019 -6.153 -3.752 88 HD11 LEU 10 HD11 LEU 10 -2.724 -5.356 -2.704 89 HD12 LEU 10 HD12 LEU 10 -1.507 -6.340 -1.886 90 HD13 LEU 10 HD13 LEU 10 -2.293 -6.948 -3.342 91 HD21 LEU 10 HD21 LEU 10 -1.680 -6.023 -5.542 92 HD22 LEU 10 HD22 LEU 10 -0.480 -4.732 -5.656 93 HD23 LEU 10 HD23 LEU 10 -2.093 -4.382 -5.032 94 H GLN 11 H GLN 11 2.645 -4.117 -2.523 95 HA GLN 11 HA GLN 11 3.531 -6.704 -2.998 96 HB2 GLN 11 HB2 GLN 11 5.144 -4.284 -2.192 97 HB3 GLN 11 HB1 GLN 11 5.862 -5.792 -2.733 98 HG2 GLN 11 HG2 GLN 11 4.767 -5.556 -4.882 99 HG3 GLN 11 HG1 GLN 11 3.993 -4.075 -4.330 100 HE21 GLN 11 1HE2 GLN 11 5.176 -2.215 -4.200 101 HE22 GLN 11 2HE2 GLN 11 6.760 -2.056 -4.871 102 H GLU 12 H GLU 12 4.209 -4.734 -0.109 103 HA GLU 12 HA GLU 12 5.502 -6.776 1.275 104 HB2 GLU 12 HB2 GLU 12 4.077 -4.322 2.280 105 HB3 GLU 12 HB1 GLU 12 5.100 -5.359 3.269 106 HG2 GLU 12 HG2 GLU 12 5.965 -3.819 0.841 107 HG3 GLU 12 HG1 GLU 12 6.303 -3.386 2.514 108 H CYS 13 H CYS 13 2.146 -5.671 1.331 109 HA CYS 13 HA CYS 13 1.272 -7.271 3.427 110 HB2 CYS 13 HB2 CYS 13 0.017 -5.349 2.392 111 HB3 CYS 13 HB1 CYS 13 -0.414 -6.430 1.074 112 H GLN 14 H GLN 14 1.197 -7.991 -0.078 113 HA GLN 14 HA GLN 14 -0.029 -10.521 0.209 114 HB2 GLN 14 HB2 GLN 14 1.818 -9.570 -1.970 115 HB3 GLN 14 HB1 GLN 14 0.847 -11.028 -2.034 116 HG2 GLN 14 HG2 GLN 14 -1.177 -9.660 -1.910 117 HG3 GLN 14 HG1 GLN 14 -0.169 -8.209 -1.895 118 HE21 GLN 14 1HE2 GLN 14 1.053 -7.715 -3.732 119 HE22 GLN 14 2HE2 GLN 14 0.649 -8.358 -5.276 120 H ARG 15 H ARG 15 3.358 -9.540 0.062 121 HA ARG 15 HA ARG 15 4.318 -12.189 0.095 122 HB2 ARG 15 HB2 ARG 15 5.700 -9.594 0.646 123 HB3 ARG 15 HB1 ARG 15 6.523 -11.157 0.644 124 HG2 ARG 15 HG2 ARG 15 5.650 -11.546 -1.642 125 HG3 ARG 15 HG1 ARG 15 5.034 -9.896 -1.629 126 HD2 ARG 15 HD2 ARG 15 7.854 -10.695 -1.208 127 HD3 ARG 15 HD1 ARG 15 7.198 -10.179 -2.765 128 HE ARG 15 HE ARG 15 7.103 -8.420 -0.416 129 HH11 ARG 15 HH11 ARG 15 8.128 -8.971 -3.772 130 HH12 ARG 15 HH12 ARG 15 8.747 -7.394 -3.953 131 HH21 ARG 15 HH21 ARG 15 7.942 -6.229 -0.742 132 HH22 ARG 15 HH22 ARG 15 8.623 -5.856 -2.259 133 H ARG 16 H ARG 16 3.631 -9.894 2.646 134 HA ARG 16 HA ARG 16 4.631 -11.433 4.773 135 HB2 ARG 16 HB2 ARG 16 2.266 -9.539 4.707 136 HB3 ARG 16 HB1 ARG 16 2.889 -10.263 6.178 137 HG2 ARG 16 HG2 ARG 16 4.417 -8.414 4.360 138 HG3 ARG 16 HG1 ARG 16 3.624 -7.950 5.864 139 HD2 ARG 16 HD2 ARG 16 5.872 -9.939 5.584 140 HD3 ARG 16 HD1 ARG 16 6.018 -8.287 6.176 141 HE ARG 16 HE ARG 16 4.255 -10.184 7.572 142 HH11 ARG 16 HH11 ARG 16 7.125 -8.114 7.598 143 HH12 ARG 16 HH12 ARG 16 7.428 -8.305 9.262 144 HH21 ARG 16 HH21 ARG 16 4.657 -10.468 9.829 145 HH22 ARG 16 HH22 ARG 16 5.980 -9.689 10.575 146 H CYS 17 H CYS 17 1.461 -11.339 3.268 147 HA CYS 17 HA CYS 17 0.237 -13.338 4.750 148 HB2 CYS 17 HB2 CYS 17 -0.116 -12.632 1.844 149 HB3 CYS 17 HB1 CYS 17 -1.179 -13.704 2.738 150 H GLN 18 H GLN 18 2.374 -13.590 1.975 151 HA GLN 18 HA GLN 18 2.019 -16.364 1.551 152 HB2 GLN 18 HB2 GLN 18 4.276 -14.551 0.731 153 HB3 GLN 18 HB1 GLN 18 4.058 -16.201 0.161 154 HG2 GLN 18 HG2 GLN 18 1.820 -15.506 -0.700 155 HG3 GLN 18 HG1 GLN 18 2.237 -13.868 -0.266 156 HE21 GLN 18 1HE2 GLN 18 3.678 -12.709 -1.456 157 HE22 GLN 18 2HE2 GLN 18 4.322 -13.240 -2.962 158 H SER 19 H SER 19 3.880 -14.667 3.868 159 HA SER 19 HA SER 19 5.442 -17.075 4.401 160 HB2 SER 19 HB2 SER 19 5.810 -14.260 5.436 161 HB3 SER 19 HB1 SER 19 6.900 -15.620 5.719 162 HG SER 19 HG SER 19 6.636 -15.606 3.176 163 H GLU 20 H GLU 20 3.173 -14.816 5.927 164 HA GLU 20 HA GLU 20 3.303 -16.227 8.428 165 HB2 GLU 20 HB2 GLU 20 1.563 -13.917 7.590 166 HB3 GLU 20 HB1 GLU 20 1.813 -14.493 9.234 167 HG2 GLU 20 HG2 GLU 20 4.217 -13.937 9.012 168 HG3 GLU 20 HG1 GLU 20 3.884 -13.290 7.422 169 H GLN 21 H GLN 21 1.240 -16.282 5.578 170 HA GLN 21 HA GLN 21 -0.651 -17.987 7.031 171 HB2 GLN 21 HB2 GLN 21 -1.236 -15.979 4.840 172 HB3 GLN 21 HB1 GLN 21 -2.409 -17.086 5.532 173 HG2 GLN 21 HG2 GLN 21 -0.943 -15.011 7.143 174 HG3 GLN 21 HG1 GLN 21 -2.504 -14.730 6.385 175 HE21 GLN 21 1HE2 GLN 21 -0.833 -16.475 8.886 176 HE22 GLN 21 2HE2 GLN 21 -2.248 -16.923 9.750 177 H GLN 22 H GLN 22 -1.782 -19.521 5.497 178 HA GLN 22 HA GLN 22 -0.705 -19.809 2.866 179 HB2 GLN 22 HB2 GLN 22 -0.071 -22.166 3.119 180 HB3 GLN 22 HB1 GLN 22 0.951 -21.115 4.073 181 HG2 GLN 22 HG2 GLN 22 -0.327 -21.752 6.081 182 HG3 GLN 22 HG1 GLN 22 -1.311 -22.829 5.089 183 HE21 GLN 22 1HE2 GLN 22 -0.665 -24.653 6.196 184 HE22 GLN 22 2HE2 GLN 22 0.917 -25.319 6.058 185 H GLY 23 H GLY 23 -1.799 -21.605 1.741 186 HA2 GLY 23 HA2 GLY 23 -3.740 -22.534 0.944 187 HA3 GLY 23 HA1 GLY 23 -4.093 -22.913 2.620 188 H GLN 24 H GLN 24 -6.022 -22.287 3.143 189 HA GLN 24 HA GLN 24 -7.558 -20.391 1.679 190 HB2 GLN 24 HB2 GLN 24 -8.033 -21.740 4.310 191 HB3 GLN 24 HB1 GLN 24 -9.193 -20.657 3.562 192 HG2 GLN 24 HG2 GLN 24 -8.181 -23.238 2.392 193 HG3 GLN 24 HG1 GLN 24 -9.760 -22.978 3.132 194 HE21 GLN 24 1HE2 GLN 24 -7.798 -22.447 0.367 195 HE22 GLN 24 2HE2 GLN 24 -9.029 -21.857 -0.675 196 H ARG 25 H ARG 25 -5.569 -20.215 4.474 197 HA ARG 25 HA ARG 25 -6.652 -17.727 5.344 198 HB2 ARG 25 HB2 ARG 25 -4.102 -19.120 6.077 199 HB3 ARG 25 HB1 ARG 25 -4.668 -17.628 6.826 200 HG2 ARG 25 HG2 ARG 25 -6.791 -18.862 7.383 201 HG3 ARG 25 HG1 ARG 25 -5.950 -20.333 6.898 202 HD2 ARG 25 HD2 ARG 25 -4.250 -19.928 8.559 203 HD3 ARG 25 HD1 ARG 25 -5.047 -18.401 8.977 204 HE ARG 25 HE ARG 25 -6.542 -20.885 9.200 205 HH11 ARG 25 HH11 ARG 25 -4.976 -18.135 10.857 206 HH12 ARG 25 HH12 ARG 25 -5.706 -18.445 12.343 207 HH21 ARG 25 HH21 ARG 25 -7.548 -21.278 11.267 208 HH22 ARG 25 HH22 ARG 25 -7.176 -20.279 12.592 209 H LEU 26 H LEU 26 -4.130 -18.758 3.232 210 HA LEU 26 HA LEU 26 -2.951 -16.200 2.886 211 HB2 LEU 26 HB2 LEU 26 -1.684 -18.087 2.297 212 HB3 LEU 26 HB1 LEU 26 -2.907 -18.692 1.189 213 HG LEU 26 HG LEU 26 -2.411 -16.785 -0.315 214 HD11 LEU 26 HD11 LEU 26 -0.273 -16.157 1.711 215 HD12 LEU 26 HD12 LEU 26 -1.671 -15.170 1.282 216 HD13 LEU 26 HD13 LEU 26 -0.394 -15.443 0.098 217 HD21 LEU 26 HD21 LEU 26 -0.219 -17.567 -1.061 218 HD22 LEU 26 HD22 LEU 26 -1.280 -18.915 -0.648 219 HD23 LEU 26 HD23 LEU 26 -0.006 -18.419 0.468 220 H GLN 27 H GLN 27 -5.438 -18.015 1.170 221 HA GLN 27 HA GLN 27 -5.897 -16.327 -0.980 222 HB2 GLN 27 HB2 GLN 27 -8.017 -17.868 0.536 223 HB3 GLN 27 HB1 GLN 27 -8.158 -17.261 -1.105 224 HG2 GLN 27 HG2 GLN 27 -6.317 -19.431 -0.125 225 HG3 GLN 27 HG1 GLN 27 -7.733 -19.620 -1.155 226 HE21 GLN 27 1HE2 GLN 27 -7.578 -19.060 -3.336 227 HE22 GLN 27 2HE2 GLN 27 -6.070 -18.758 -4.093 228 H GLU 28 H GLU 28 -7.586 -16.308 2.143 229 HA GLU 28 HA GLU 28 -9.060 -13.971 1.704 230 HB2 GLU 28 HB2 GLU 28 -8.099 -15.224 4.278 231 HB3 GLU 28 HB1 GLU 28 -9.253 -13.902 4.196 232 HG2 GLU 28 HG2 GLU 28 -9.682 -16.587 2.909 233 HG3 GLU 28 HG1 GLU 28 -10.245 -16.168 4.524 234 H CYS 29 H CYS 29 -5.900 -14.469 3.268 235 HA CYS 29 HA CYS 29 -5.532 -11.896 4.250 236 HB2 CYS 29 HB2 CYS 29 -4.186 -13.915 4.866 237 HB3 CYS 29 HB1 CYS 29 -3.359 -13.776 3.325 238 H GLN 30 H GLN 30 -4.178 -13.262 1.208 239 HA GLN 30 HA GLN 30 -3.020 -10.780 0.486 240 HB2 GLN 30 HB2 GLN 30 -2.613 -11.746 -1.738 241 HB3 GLN 30 HB1 GLN 30 -2.109 -12.822 -0.447 242 HG2 GLN 30 HG2 GLN 30 -4.032 -14.204 -0.769 243 HG3 GLN 30 HG1 GLN 30 -4.710 -13.073 -1.942 244 HE21 GLN 30 1HE2 GLN 30 -1.323 -13.881 -1.826 245 HE22 GLN 30 2HE2 GLN 30 -1.290 -14.779 -3.293 246 H GLN 31 H GLN 31 -6.142 -12.180 -0.144 247 HA GLN 31 HA GLN 31 -6.906 -10.413 -2.194 248 HB2 GLN 31 HB2 GLN 31 -7.994 -12.552 -1.680 249 HB3 GLN 31 HB1 GLN 31 -8.616 -11.865 -0.192 250 HG2 GLN 31 HG2 GLN 31 -9.910 -10.251 -1.474 251 HG3 GLN 31 HG1 GLN 31 -9.276 -10.936 -2.971 252 HE21 GLN 31 1HE2 GLN 31 -9.352 -13.661 -1.904 253 HE22 GLN 31 2HE2 GLN 31 -10.998 -14.137 -1.914 254 H ARG 32 H ARG 32 -7.105 -10.272 1.315 255 HA ARG 32 HA ARG 32 -8.613 -7.894 1.528 256 HB2 ARG 32 HB2 ARG 32 -6.536 -9.048 3.400 257 HB3 ARG 32 HB1 ARG 32 -7.580 -7.696 3.802 258 HG2 ARG 32 HG2 ARG 32 -9.538 -9.132 3.603 259 HG3 ARG 32 HG1 ARG 32 -8.507 -10.476 3.126 260 HD2 ARG 32 HD2 ARG 32 -7.365 -10.372 5.272 261 HD3 ARG 32 HD1 ARG 32 -8.391 -9.024 5.762 262 HE ARG 32 HE ARG 32 -10.119 -10.996 5.069 263 HH11 ARG 32 HH11 ARG 32 -7.437 -10.811 7.363 264 HH12 ARG 32 HH12 ARG 32 -8.136 -11.845 8.515 265 HH21 ARG 32 HH21 ARG 32 -11.078 -12.488 6.645 266 HH22 ARG 32 HH22 ARG 32 -10.221 -12.861 8.074 267 H CYS 33 H CYS 33 -5.197 -8.521 1.121 268 HA CYS 33 HA CYS 33 -4.250 -5.877 1.398 269 HB2 CYS 33 HB2 CYS 33 -3.151 -8.069 -0.375 270 HB3 CYS 33 HB1 CYS 33 -2.275 -6.660 0.209 271 H GLN 34 H GLN 34 -5.406 -7.760 -1.357 272 HA GLN 34 HA GLN 34 -4.979 -5.831 -3.358 273 HB2 GLN 34 HB2 GLN 34 -7.025 -8.041 -3.228 274 HB3 GLN 34 HB1 GLN 34 -6.590 -7.153 -4.678 275 HG2 GLN 34 HG2 GLN 34 -4.320 -8.037 -4.548 276 HG3 GLN 34 HG1 GLN 34 -4.726 -8.872 -3.050 277 HE21 GLN 34 1HE2 GLN 34 -5.027 -8.869 -6.491 278 HE22 GLN 34 2HE2 GLN 34 -5.711 -10.440 -6.623 279 H GLN 35 H GLN 35 -7.668 -6.471 -1.209 280 HA GLN 35 HA GLN 35 -9.538 -4.670 -2.256 281 HB2 GLN 35 HB2 GLN 35 -9.099 -5.350 0.657 282 HB3 GLN 35 HB1 GLN 35 -10.505 -4.518 0.025 283 HG2 GLN 35 HG2 GLN 35 -9.680 -7.366 -0.507 284 HG3 GLN 35 HG1 GLN 35 -11.043 -6.816 0.460 285 HE21 GLN 35 1HE2 GLN 35 -9.884 -7.543 -2.664 286 HE22 GLN 35 2HE2 GLN 35 -11.360 -7.260 -3.517 287 H GLU 36 H GLU 36 -7.094 -4.081 0.288 288 HA GLU 36 HA GLU 36 -7.584 -1.357 0.659 289 HB2 GLU 36 HB2 GLU 36 -5.184 -3.078 1.097 290 HB3 GLU 36 HB1 GLU 36 -5.039 -1.338 1.273 291 HG2 GLU 36 HG2 GLU 36 -7.020 -3.050 2.743 292 HG3 GLU 36 HG1 GLU 36 -5.470 -2.515 3.401 293 H TYR 37 H TYR 37 -5.426 -2.950 -1.570 294 HA TYR 37 HA TYR 37 -4.245 -0.681 -2.689 295 HB2 TYR 37 HB2 TYR 37 -3.330 -2.902 -3.023 296 HB3 TYR 37 HB1 TYR 37 -4.766 -3.393 -3.907 297 HD1 TYR 37 HD1 TYR 37 -4.757 -3.271 -6.219 298 HD2 TYR 37 HD2 TYR 37 -2.020 -0.880 -4.025 299 HE1 TYR 37 HE1 TYR 37 -3.701 -2.555 -8.314 300 HE2 TYR 37 HE2 TYR 37 -0.962 -0.161 -6.118 301 HH TYR 37 HH TYR 37 -2.342 -0.626 -9.133 302 H GLN 38 H GLN 38 -7.142 -2.472 -3.676 303 HA GLN 38 HA GLN 38 -7.734 -0.922 -5.950 304 HB2 GLN 38 HB2 GLN 38 -9.536 -2.534 -4.154 305 HB3 GLN 38 HB1 GLN 38 -10.078 -1.783 -5.649 306 HG2 GLN 38 HG2 GLN 38 -8.550 -3.127 -6.931 307 HG3 GLN 38 HG1 GLN 38 -7.858 -3.795 -5.454 308 HE21 GLN 38 1HE2 GLN 38 -8.981 -5.278 -4.326 309 HE22 GLN 38 2HE2 GLN 38 -10.346 -6.136 -4.962 310 H ARG 39 H ARG 39 -8.626 -0.562 -2.590 311 HA ARG 39 HA ARG 39 -10.436 1.580 -2.891 312 HB2 ARG 39 HB2 ARG 39 -8.678 0.902 -0.537 313 HB3 ARG 39 HB1 ARG 39 -10.022 2.031 -0.495 314 HG2 ARG 39 HG2 ARG 39 -11.560 0.193 -1.028 315 HG3 ARG 39 HG1 ARG 39 -10.195 -0.925 -1.043 316 HD2 ARG 39 HD2 ARG 39 -11.307 -1.064 1.090 317 HD3 ARG 39 HD1 ARG 39 -9.724 -0.318 1.306 318 HE ARG 39 HE ARG 39 -11.959 1.474 0.937 319 HH11 ARG 39 HH11 ARG 39 -9.620 0.063 3.216 320 HH12 ARG 39 HH12 ARG 39 -10.122 1.046 4.505 321 HH21 ARG 39 HH21 ARG 39 -12.597 2.834 2.748 322 HH22 ARG 39 HH22 ARG 39 -11.811 2.634 4.245 323 H GLU 40 H GLU 40 -6.934 1.476 -2.578 324 HA GLU 40 HA GLU 40 -6.821 4.337 -2.475 325 HB2 GLU 40 HB2 GLU 40 -4.676 2.261 -2.476 326 HB3 GLU 40 HB1 GLU 40 -4.306 3.972 -2.629 327 HG2 GLU 40 HG2 GLU 40 -5.583 4.339 -0.510 328 HG3 GLU 40 HG1 GLU 40 -5.670 2.585 -0.346 329 H LYS 41 H LYS 41 -6.699 1.978 -5.004 330 HA LYS 41 HA LYS 41 -5.650 3.725 -6.980 331 HB2 LYS 41 HB2 LYS 41 -7.553 1.400 -7.212 332 HB3 LYS 41 HB1 LYS 41 -6.937 2.310 -8.583 333 HG2 LYS 41 HG2 LYS 41 -4.652 1.631 -7.955 334 HG3 LYS 41 HG1 LYS 41 -5.333 0.660 -6.645 335 HD2 LYS 41 HD2 LYS 41 -4.857 -0.706 -8.636 336 HD3 LYS 41 HD1 LYS 41 -6.580 -0.673 -8.253 337 HE2 LYS 41 HE2 LYS 41 -6.982 0.954 -9.988 338 HE3 LYS 41 HE1 LYS 41 -5.250 1.095 -10.291 339 HZ1 LYS 41 HZ1 LYS 41 -5.273 -1.173 -11.143 340 HZ2 LYS 41 HZ2 LYS 41 -6.486 -0.288 -11.922 341 HZ3 LYS 41 HZ3 LYS 41 -6.885 -1.353 -10.704 342 H GLY 42 H GLY 42 -8.666 3.318 -5.442 343 HA2 GLY 42 HA2 GLY 42 -10.014 5.156 -7.233 344 HA3 GLY 42 HA1 GLY 42 -10.731 4.301 -5.863 345 H GLN 43 H GLN 43 -11.450 6.706 -5.746 346 HA GLN 43 HA GLN 43 -9.451 8.178 -4.222 347 HB2 GLN 43 HB2 GLN 43 -11.967 9.166 -5.559 348 HB3 GLN 43 HB1 GLN 43 -10.820 10.159 -4.676 349 HG2 GLN 43 HG2 GLN 43 -10.187 8.609 -7.181 350 HG3 GLN 43 HG1 GLN 43 -10.594 10.317 -7.130 351 HE21 GLN 43 1HE2 GLN 43 -8.658 10.867 -8.049 352 HE22 GLN 43 2HE2 GLN 43 -7.151 10.826 -7.211 353 H HIS 44 H HIS 44 -9.666 8.079 -2.120 354 HA HIS 44 HA HIS 44 -12.077 7.308 -0.798 355 HB2 HIS 44 HB2 HIS 44 -9.488 8.498 0.243 356 HB3 HIS 44 HB1 HIS 44 -10.840 8.105 1.293 357 HD1 HIS 44 HD1 HIS 44 -7.953 6.545 -0.474 358 HD2 HIS 44 HD2 HIS 44 -11.364 5.349 1.567 359 HE1 HIS 44 HE1 HIS 44 -7.627 4.123 0.073 360 H GLN 45 H GLN 45 -10.462 10.277 -1.629 361 HA GLN 45 HA GLN 45 -12.944 11.681 -1.241 362 HB2 GLN 45 HB2 GLN 45 -10.137 12.613 -0.671 363 HB3 GLN 45 HB1 GLN 45 -11.525 13.671 -0.791 364 HG2 GLN 45 HG2 GLN 45 -12.526 12.556 1.151 365 HG3 GLN 45 HG1 GLN 45 -11.119 11.496 1.248 366 HE21 GLN 45 1HE2 GLN 45 -10.600 12.208 3.277 367 HE22 GLN 45 2HE2 GLN 45 -9.926 13.765 3.585 368 H GLY 46 H GLY 46 -13.391 12.826 -3.114 369 HA2 GLY 46 HA2 GLY 46 -11.727 13.976 -4.873 370 HA3 GLY 46 HA1 GLY 46 -11.683 12.285 -5.357 371 H GLU 47 H GLU 47 -12.532 13.977 -7.154 372 HA GLU 47 HA GLU 47 -15.416 13.501 -7.261 373 HB2 GLU 47 HB2 GLU 47 -14.015 16.060 -8.080 374 HB3 GLU 47 HB1 GLU 47 -15.726 15.720 -8.285 375 HG2 GLU 47 HG2 GLU 47 -16.068 15.682 -5.915 376 HG3 GLU 47 HG1 GLU 47 -14.338 15.806 -5.621 377 H THR 48 H THR 48 -15.446 11.982 -8.804 378 HA THR 48 HA THR 48 -13.755 12.333 -11.158 379 HB THR 48 HB THR 48 -13.467 10.166 -10.068 380 HG1 THR 48 HG1 THR 48 -14.052 10.428 -12.579 381 HG21 THR 48 HG21 THR 48 -15.319 8.528 -9.897 382 HG22 THR 48 HG22 THR 48 -16.445 9.772 -10.445 383 HG23 THR 48 HG23 THR 48 -15.597 9.961 -8.910 384 H ASN 49 H ASN 49 -16.647 13.234 -10.177 385 HA ASN 49 HA ASN 49 -17.825 13.156 -12.848 386 HB2 ASN 49 HB2 ASN 49 -18.889 11.349 -11.591 387 HB3 ASN 49 HB1 ASN 49 -19.239 12.451 -10.268 388 HD21 ASN 49 HD21 ASN 49 -21.401 12.068 -10.382 389 HD22 ASN 49 HD22 ASN 49 -22.415 12.653 -11.650 Start of MODEL 8 1 H1 ARG 1 HT1 ARG 1 8.715 7.724 -6.222 2 H2 ARG 1 HT2 ARG 1 7.112 8.014 -6.627 3 H3 ARG 1 HT3 ARG 1 8.207 9.293 -6.582 4 HA ARG 1 HA ARG 1 7.732 8.600 -8.853 5 HB2 ARG 1 HB2 ARG 1 10.490 7.823 -7.902 6 HB3 ARG 1 HB1 ARG 1 10.051 8.105 -9.579 7 HG2 ARG 1 HG2 ARG 1 9.503 10.430 -9.016 8 HG3 ARG 1 HG1 ARG 1 10.017 10.127 -7.358 9 HD2 ARG 1 HD2 ARG 1 11.805 11.176 -8.602 10 HD3 ARG 1 HD1 ARG 1 12.246 9.525 -8.177 11 HE ARG 1 HE ARG 1 11.057 9.616 -10.730 12 HH11 ARG 1 HH11 ARG 1 14.071 10.455 -9.076 13 HH12 ARG 1 HH12 ARG 1 15.049 10.222 -10.454 14 HH21 ARG 1 HH21 ARG 1 12.447 9.310 -12.646 15 HH22 ARG 1 HH22 ARG 1 14.124 9.562 -12.462 16 H GLY 2 H GLY 2 8.546 6.786 -10.471 17 HA2 GLY 2 HA2 GLY 2 8.498 4.518 -11.050 18 HA3 GLY 2 HA1 GLY 2 8.532 4.175 -9.335 19 HA PRO 3 HA PRO 3 4.271 3.216 -10.415 20 HB2 PRO 3 HB2 PRO 3 4.045 1.099 -8.752 21 HB3 PRO 3 HB1 PRO 3 4.812 0.961 -10.339 22 HG2 PRO 3 HG2 PRO 3 6.068 1.150 -7.642 23 HG3 PRO 3 HG1 PRO 3 6.568 0.197 -9.047 24 HD2 PRO 3 HD2 PRO 3 7.681 2.621 -8.287 25 HD3 PRO 3 HD1 PRO 3 7.789 1.959 -9.922 26 H ASP 4 H ASP 4 2.498 2.612 -8.623 27 HA ASP 4 HA ASP 4 2.329 4.846 -6.876 28 HB2 ASP 4 HB2 ASP 4 0.707 2.307 -7.032 29 HB3 ASP 4 HB1 ASP 4 0.405 3.540 -5.822 30 H LYS 5 H LYS 5 2.613 5.009 -4.708 31 HA LYS 5 HA LYS 5 4.501 3.372 -3.372 32 HB2 LYS 5 HB2 LYS 5 2.321 5.084 -2.126 33 HB3 LYS 5 HB1 LYS 5 3.768 4.514 -1.327 34 HG2 LYS 5 HG2 LYS 5 5.137 5.966 -2.712 35 HG3 LYS 5 HG1 LYS 5 3.701 6.504 -3.596 36 HD2 LYS 5 HD2 LYS 5 2.747 7.367 -1.510 37 HD3 LYS 5 HD1 LYS 5 4.175 6.838 -0.632 38 HE2 LYS 5 HE2 LYS 5 4.247 9.235 -1.077 39 HE3 LYS 5 HE1 LYS 5 5.551 8.409 -1.916 40 HZ1 LYS 5 HZ1 LYS 5 4.334 8.598 -3.972 41 HZ2 LYS 5 HZ2 LYS 5 4.405 10.115 -3.253 42 HZ3 LYS 5 HZ3 LYS 5 2.991 9.218 -3.174 43 H SER 6 H SER 6 1.041 3.609 -3.491 44 HA SER 6 HA SER 6 0.121 1.770 -1.672 45 HB2 SER 6 HB2 SER 6 -1.026 2.276 -4.394 46 HB3 SER 6 HB1 SER 6 -1.878 1.934 -2.888 47 HG SER 6 HG SER 6 -0.809 3.959 -2.141 48 H TYR 7 H TYR 7 1.326 1.332 -4.973 49 HA TYR 7 HA TYR 7 0.348 -1.330 -5.202 50 HB2 TYR 7 HB2 TYR 7 0.681 0.117 -7.202 51 HB3 TYR 7 HB1 TYR 7 2.416 0.071 -6.914 52 HD1 TYR 7 HD1 TYR 7 -0.487 -2.199 -7.460 53 HD2 TYR 7 HD2 TYR 7 3.688 -1.574 -7.984 54 HE1 TYR 7 HE1 TYR 7 -0.356 -4.258 -8.789 55 HE2 TYR 7 HE2 TYR 7 3.829 -3.637 -9.326 56 HH TYR 7 HH TYR 7 1.023 -5.293 -10.432 57 H LYS 8 H LYS 8 3.464 0.173 -4.462 58 HA LYS 8 HA LYS 8 4.874 -2.246 -4.409 59 HB2 LYS 8 HB2 LYS 8 5.401 0.278 -2.882 60 HB3 LYS 8 HB1 LYS 8 6.567 -1.034 -3.092 61 HG2 LYS 8 HG2 LYS 8 6.328 -0.558 -5.595 62 HG3 LYS 8 HG1 LYS 8 5.537 0.941 -5.102 63 HD2 LYS 8 HD2 LYS 8 8.341 0.047 -4.418 64 HD3 LYS 8 HD1 LYS 8 7.880 1.384 -5.465 65 HE2 LYS 8 HE2 LYS 8 6.920 2.570 -3.538 66 HE3 LYS 8 HE1 LYS 8 7.314 1.205 -2.502 67 HZ1 LYS 8 HZ1 LYS 8 9.663 1.567 -3.033 68 HZ2 LYS 8 HZ2 LYS 8 8.978 2.864 -2.239 69 HZ3 LYS 8 HZ3 LYS 8 9.266 2.958 -3.899 70 H ARG 9 H ARG 9 3.133 -0.415 -1.977 71 HA ARG 9 HA ARG 9 3.710 -2.038 0.250 72 HB2 ARG 9 HB2 ARG 9 1.309 -0.281 -0.290 73 HB3 ARG 9 HB1 ARG 9 1.678 -1.005 1.269 74 HG2 ARG 9 HG2 ARG 9 3.727 0.262 1.423 75 HG3 ARG 9 HG1 ARG 9 3.473 0.916 -0.195 76 HD2 ARG 9 HD2 ARG 9 2.821 2.570 1.431 77 HD3 ARG 9 HD1 ARG 9 1.391 1.966 0.598 78 HE ARG 9 HE ARG 9 1.866 0.522 2.984 79 HH11 ARG 9 HH11 ARG 9 0.573 3.607 1.817 80 HH12 ARG 9 HH12 ARG 9 -0.417 3.880 3.168 81 HH21 ARG 9 HH21 ARG 9 0.500 0.911 4.869 82 HH22 ARG 9 HH22 ARG 9 -0.477 2.299 4.938 83 H LEU 10 H LEU 10 1.440 -2.371 -2.346 84 HA LEU 10 HA LEU 10 -0.155 -4.375 -1.226 85 HB2 LEU 10 HB2 LEU 10 -0.881 -3.284 -3.239 86 HB3 LEU 10 HB1 LEU 10 0.550 -3.805 -4.100 87 HG LEU 10 HG LEU 10 -0.205 -6.114 -4.009 88 HD11 LEU 10 HD11 LEU 10 -2.643 -5.043 -2.606 89 HD12 LEU 10 HD12 LEU 10 -1.390 -6.090 -1.933 90 HD13 LEU 10 HD13 LEU 10 -2.434 -6.689 -3.216 91 HD21 LEU 10 HD21 LEU 10 -2.114 -5.920 -5.523 92 HD22 LEU 10 HD22 LEU 10 -0.838 -4.765 -5.913 93 HD23 LEU 10 HD23 LEU 10 -2.294 -4.222 -5.074 94 H GLN 11 H GLN 11 2.794 -4.640 -3.227 95 HA GLN 11 HA GLN 11 2.915 -7.459 -2.943 96 HB2 GLN 11 HB2 GLN 11 5.163 -5.539 -3.547 97 HB3 GLN 11 HB1 GLN 11 5.453 -7.253 -3.333 98 HG2 GLN 11 HG2 GLN 11 5.282 -6.962 -5.648 99 HG3 GLN 11 HG1 GLN 11 3.731 -7.632 -5.162 100 HE21 GLN 11 1HE2 GLN 11 4.885 -4.332 -4.866 101 HE22 GLN 11 2HE2 GLN 11 3.647 -3.661 -5.858 102 H GLU 12 H GLU 12 4.191 -4.920 -0.924 103 HA GLU 12 HA GLU 12 5.656 -6.406 0.905 104 HB2 GLU 12 HB2 GLU 12 3.847 -4.062 1.527 105 HB3 GLU 12 HB1 GLU 12 5.147 -4.652 2.546 106 HG2 GLU 12 HG2 GLU 12 5.480 -3.486 -0.205 107 HG3 GLU 12 HG1 GLU 12 5.752 -2.629 1.309 108 H CYS 13 H CYS 13 2.229 -5.572 0.980 109 HA CYS 13 HA CYS 13 1.508 -6.945 3.302 110 HB2 CYS 13 HB2 CYS 13 0.184 -5.177 2.023 111 HB3 CYS 13 HB1 CYS 13 -0.288 -6.467 0.935 112 H GLN 14 H GLN 14 1.380 -7.939 -0.109 113 HA GLN 14 HA GLN 14 0.141 -10.411 0.371 114 HB2 GLN 14 HB2 GLN 14 1.791 -9.491 -1.970 115 HB3 GLN 14 HB1 GLN 14 0.870 -10.991 -1.936 116 HG2 GLN 14 HG2 GLN 14 -1.182 -9.710 -1.651 117 HG3 GLN 14 HG1 GLN 14 -0.245 -8.216 -1.663 118 HE21 GLN 14 1HE2 GLN 14 0.778 -7.616 -3.561 119 HE22 GLN 14 2HE2 GLN 14 0.236 -8.154 -5.107 120 H ARG 15 H ARG 15 3.598 -9.606 -0.044 121 HA ARG 15 HA ARG 15 4.510 -12.252 0.165 122 HB2 ARG 15 HB2 ARG 15 5.877 -9.645 0.810 123 HB3 ARG 15 HB1 ARG 15 6.696 -11.197 0.904 124 HG2 ARG 15 HG2 ARG 15 5.387 -10.115 -1.577 125 HG3 ARG 15 HG1 ARG 15 7.102 -9.952 -1.202 126 HD2 ARG 15 HD2 ARG 15 5.618 -12.580 -1.514 127 HD3 ARG 15 HD1 ARG 15 6.646 -11.841 -2.735 128 HE ARG 15 HE ARG 15 8.259 -11.994 -0.580 129 HH11 ARG 15 HH11 ARG 15 6.253 -14.481 -2.073 130 HH12 ARG 15 HH12 ARG 15 7.390 -15.736 -1.916 131 HH21 ARG 15 HH21 ARG 15 9.799 -13.711 -0.239 132 HH22 ARG 15 HH22 ARG 15 9.455 -15.290 -0.789 133 H ARG 16 H ARG 16 3.576 -9.971 2.615 134 HA ARG 16 HA ARG 16 4.589 -11.498 4.794 135 HB2 ARG 16 HB2 ARG 16 2.385 -9.438 4.690 136 HB3 ARG 16 HB1 ARG 16 2.946 -10.187 6.176 137 HG2 ARG 16 HG2 ARG 16 4.611 -8.512 4.318 138 HG3 ARG 16 HG1 ARG 16 3.905 -7.965 5.837 139 HD2 ARG 16 HD2 ARG 16 5.977 -10.136 5.492 140 HD3 ARG 16 HD1 ARG 16 6.233 -8.526 6.150 141 HE ARG 16 HE ARG 16 4.258 -10.126 7.553 142 HH11 ARG 16 HH11 ARG 16 7.651 -9.185 7.375 143 HH12 ARG 16 HH12 ARG 16 7.964 -9.538 9.017 144 HH21 ARG 16 HH21 ARG 16 4.657 -10.584 9.711 145 HH22 ARG 16 HH22 ARG 16 6.215 -10.350 10.403 146 H CYS 17 H CYS 17 1.471 -11.280 3.213 147 HA CYS 17 HA CYS 17 0.163 -13.175 4.770 148 HB2 CYS 17 HB2 CYS 17 -0.210 -12.416 1.889 149 HB3 CYS 17 HB1 CYS 17 -1.287 -13.504 2.751 150 H GLN 18 H GLN 18 2.270 -13.585 2.006 151 HA GLN 18 HA GLN 18 1.749 -16.345 1.661 152 HB2 GLN 18 HB2 GLN 18 4.186 -14.765 0.858 153 HB3 GLN 18 HB1 GLN 18 3.771 -16.372 0.273 154 HG2 GLN 18 HG2 GLN 18 1.688 -15.447 -0.667 155 HG3 GLN 18 HG1 GLN 18 2.186 -13.860 -0.129 156 HE21 GLN 18 1HE2 GLN 18 1.697 -14.813 -2.811 157 HE22 GLN 18 2HE2 GLN 18 3.136 -14.504 -3.707 158 H SER 19 H SER 19 3.991 -14.619 3.713 159 HA SER 19 HA SER 19 5.349 -17.055 4.459 160 HB2 SER 19 HB2 SER 19 5.587 -14.262 5.579 161 HB3 SER 19 HB1 SER 19 6.681 -15.611 5.902 162 HG SER 19 HG SER 19 6.332 -15.280 3.264 163 H GLU 20 H GLU 20 3.138 -14.711 6.028 164 HA GLU 20 HA GLU 20 3.146 -16.189 8.468 165 HB2 GLU 20 HB2 GLU 20 1.488 -13.828 7.612 166 HB3 GLU 20 HB1 GLU 20 1.617 -14.455 9.250 167 HG2 GLU 20 HG2 GLU 20 4.044 -13.981 9.191 168 HG3 GLU 20 HG1 GLU 20 3.830 -13.276 7.604 169 H GLN 21 H GLN 21 1.135 -16.194 5.607 170 HA GLN 21 HA GLN 21 -0.788 -17.830 7.079 171 HB2 GLN 21 HB2 GLN 21 -1.387 -16.186 4.612 172 HB3 GLN 21 HB1 GLN 21 -2.541 -17.004 5.649 173 HG2 GLN 21 HG2 GLN 21 -0.872 -14.618 6.417 174 HG3 GLN 21 HG1 GLN 21 -2.556 -14.562 5.925 175 HE21 GLN 21 1HE2 GLN 21 -1.270 -13.703 8.353 176 HE22 GLN 21 2HE2 GLN 21 -2.021 -14.529 9.656 177 H GLN 22 H GLN 22 -1.876 -19.410 5.527 178 HA GLN 22 HA GLN 22 -0.539 -19.917 3.036 179 HB2 GLN 22 HB2 GLN 22 -0.192 -22.324 3.572 180 HB3 GLN 22 HB1 GLN 22 0.883 -21.232 4.425 181 HG2 GLN 22 HG2 GLN 22 -0.398 -21.482 6.437 182 HG3 GLN 22 HG1 GLN 22 -1.611 -22.455 5.599 183 HE21 GLN 22 1HE2 GLN 22 -1.096 -24.538 5.056 184 HE22 GLN 22 2HE2 GLN 22 0.241 -25.386 5.755 185 H GLY 23 H GLY 23 -1.620 -21.543 1.809 186 HA2 GLY 23 HA2 GLY 23 -3.474 -22.493 0.867 187 HA3 GLY 23 HA1 GLY 23 -3.944 -22.891 2.508 188 H GLN 24 H GLN 24 -5.892 -22.282 2.921 189 HA GLN 24 HA GLN 24 -7.337 -20.415 1.339 190 HB2 GLN 24 HB2 GLN 24 -8.072 -21.662 3.983 191 HB3 GLN 24 HB1 GLN 24 -9.173 -20.846 2.885 192 HG2 GLN 24 HG2 GLN 24 -7.653 -23.375 2.287 193 HG3 GLN 24 HG1 GLN 24 -9.349 -23.273 2.745 194 HE21 GLN 24 1HE2 GLN 24 -9.838 -20.895 1.099 195 HE22 GLN 24 2HE2 GLN 24 -9.850 -21.469 -0.525 196 H ARG 25 H ARG 25 -5.712 -20.324 4.415 197 HA ARG 25 HA ARG 25 -6.765 -17.873 5.353 198 HB2 ARG 25 HB2 ARG 25 -4.121 -19.168 5.939 199 HB3 ARG 25 HB1 ARG 25 -4.840 -17.850 6.857 200 HG2 ARG 25 HG2 ARG 25 -6.758 -19.318 7.382 201 HG3 ARG 25 HG1 ARG 25 -5.924 -20.640 6.557 202 HD2 ARG 25 HD2 ARG 25 -4.039 -20.333 8.032 203 HD3 ARG 25 HD1 ARG 25 -4.947 -19.065 8.876 204 HE ARG 25 HE ARG 25 -6.471 -21.387 8.867 205 HH11 ARG 25 HH11 ARG 25 -3.446 -20.237 10.310 206 HH12 ARG 25 HH12 ARG 25 -3.471 -21.358 11.600 207 HH21 ARG 25 HH21 ARG 25 -6.506 -22.900 10.688 208 HH22 ARG 25 HH22 ARG 25 -5.245 -22.885 11.824 209 H LEU 26 H LEU 26 -4.136 -18.776 3.269 210 HA LEU 26 HA LEU 26 -3.003 -16.189 2.991 211 HB2 LEU 26 HB2 LEU 26 -1.625 -17.995 2.403 212 HB3 LEU 26 HB1 LEU 26 -2.818 -18.690 1.321 213 HG LEU 26 HG LEU 26 -2.413 -16.866 -0.281 214 HD11 LEU 26 HD11 LEU 26 -0.396 -15.904 1.736 215 HD12 LEU 26 HD12 LEU 26 -1.854 -15.069 1.174 216 HD13 LEU 26 HD13 LEU 26 -0.513 -15.341 0.066 217 HD21 LEU 26 HD21 LEU 26 0.109 -18.217 0.651 218 HD22 LEU 26 HD22 LEU 26 -0.147 -17.489 -0.937 219 HD23 LEU 26 HD23 LEU 26 -1.090 -18.899 -0.447 220 H GLN 27 H GLN 27 -5.349 -18.043 1.135 221 HA GLN 27 HA GLN 27 -5.803 -16.317 -0.994 222 HB2 GLN 27 HB2 GLN 27 -7.861 -18.001 0.444 223 HB3 GLN 27 HB1 GLN 27 -8.046 -17.312 -1.160 224 HG2 GLN 27 HG2 GLN 27 -6.000 -19.370 -0.363 225 HG3 GLN 27 HG1 GLN 27 -7.505 -19.694 -1.219 226 HE21 GLN 27 1HE2 GLN 27 -7.678 -19.111 -3.367 227 HE22 GLN 27 2HE2 GLN 27 -6.310 -18.698 -4.321 228 H GLU 28 H GLU 28 -7.394 -16.356 2.182 229 HA GLU 28 HA GLU 28 -9.035 -14.112 1.722 230 HB2 GLU 28 HB2 GLU 28 -7.980 -15.206 4.325 231 HB3 GLU 28 HB1 GLU 28 -9.325 -14.090 4.151 232 HG2 GLU 28 HG2 GLU 28 -9.220 -16.911 3.119 233 HG3 GLU 28 HG1 GLU 28 -10.081 -16.366 4.552 234 H CYS 29 H CYS 29 -5.869 -14.491 3.269 235 HA CYS 29 HA CYS 29 -5.588 -11.860 4.184 236 HB2 CYS 29 HB2 CYS 29 -4.207 -13.862 4.851 237 HB3 CYS 29 HB1 CYS 29 -3.323 -13.671 3.347 238 H GLN 30 H GLN 30 -4.368 -13.350 1.169 239 HA GLN 30 HA GLN 30 -3.214 -10.964 0.203 240 HB2 GLN 30 HB2 GLN 30 -3.174 -12.079 -2.033 241 HB3 GLN 30 HB1 GLN 30 -2.468 -13.042 -0.745 242 HG2 GLN 30 HG2 GLN 30 -4.475 -14.371 -0.606 243 HG3 GLN 30 HG1 GLN 30 -5.240 -13.406 -1.872 244 HE21 GLN 30 1HE2 GLN 30 -1.874 -14.315 -1.967 245 HE22 GLN 30 2HE2 GLN 30 -2.021 -15.446 -3.242 246 H GLN 31 H GLN 31 -6.438 -12.313 -0.138 247 HA GLN 31 HA GLN 31 -7.511 -10.578 -2.036 248 HB2 GLN 31 HB2 GLN 31 -8.753 -12.509 -1.244 249 HB3 GLN 31 HB1 GLN 31 -8.787 -11.857 0.383 250 HG2 GLN 31 HG2 GLN 31 -10.195 -10.013 -0.386 251 HG3 GLN 31 HG1 GLN 31 -10.172 -10.684 -2.015 252 HE21 GLN 31 1HE2 GLN 31 -12.357 -10.206 -0.121 253 HE22 GLN 31 2HE2 GLN 31 -13.202 -11.697 0.028 254 H ARG 32 H ARG 32 -7.308 -10.297 1.461 255 HA ARG 32 HA ARG 32 -8.582 -7.811 1.697 256 HB2 ARG 32 HB2 ARG 32 -6.520 -9.066 3.487 257 HB3 ARG 32 HB1 ARG 32 -7.499 -7.675 3.934 258 HG2 ARG 32 HG2 ARG 32 -9.518 -9.105 3.655 259 HG3 ARG 32 HG1 ARG 32 -8.449 -10.471 3.350 260 HD2 ARG 32 HD2 ARG 32 -8.602 -8.831 5.874 261 HD3 ARG 32 HD1 ARG 32 -9.182 -10.478 5.654 262 HE ARG 32 HE ARG 32 -6.343 -9.818 5.330 263 HH11 ARG 32 HH11 ARG 32 -8.870 -11.774 6.907 264 HH12 ARG 32 HH12 ARG 32 -7.799 -12.624 7.900 265 HH21 ARG 32 HH21 ARG 32 -4.850 -11.033 6.723 266 HH22 ARG 32 HH22 ARG 32 -5.486 -12.186 7.804 267 H CYS 33 H CYS 33 -5.159 -8.635 1.304 268 HA CYS 33 HA CYS 33 -4.177 -6.003 1.453 269 HB2 CYS 33 HB2 CYS 33 -3.080 -8.360 -0.093 270 HB3 CYS 33 HB1 CYS 33 -2.209 -6.862 0.203 271 H GLN 34 H GLN 34 -5.449 -7.885 -1.237 272 HA GLN 34 HA GLN 34 -4.891 -6.001 -3.248 273 HB2 GLN 34 HB2 GLN 34 -6.860 -8.261 -3.044 274 HB3 GLN 34 HB1 GLN 34 -6.718 -7.274 -4.492 275 HG2 GLN 34 HG2 GLN 34 -4.432 -7.954 -4.796 276 HG3 GLN 34 HG1 GLN 34 -4.427 -8.778 -3.240 277 HE21 GLN 34 1HE2 GLN 34 -5.521 -8.887 -6.515 278 HE22 GLN 34 2HE2 GLN 34 -5.960 -10.553 -6.533 279 H GLN 35 H GLN 35 -7.544 -6.352 -1.016 280 HA GLN 35 HA GLN 35 -9.153 -4.330 -2.238 281 HB2 GLN 35 HB2 GLN 35 -9.233 -5.226 0.650 282 HB3 GLN 35 HB1 GLN 35 -10.496 -4.365 -0.210 283 HG2 GLN 35 HG2 GLN 35 -9.600 -7.209 -0.647 284 HG3 GLN 35 HG1 GLN 35 -11.121 -6.641 0.034 285 HE21 GLN 35 1HE2 GLN 35 -9.315 -7.184 -2.839 286 HE22 GLN 35 2HE2 GLN 35 -10.606 -6.931 -3.958 287 H GLU 36 H GLU 36 -6.825 -4.420 0.418 288 HA GLU 36 HA GLU 36 -6.845 -1.811 1.317 289 HB2 GLU 36 HB2 GLU 36 -4.614 -3.783 0.986 290 HB3 GLU 36 HB1 GLU 36 -4.340 -2.195 1.682 291 HG2 GLU 36 HG2 GLU 36 -6.332 -4.181 2.736 292 HG3 GLU 36 HG1 GLU 36 -4.680 -4.022 3.333 293 H TYR 37 H TYR 37 -5.088 -3.164 -1.385 294 HA TYR 37 HA TYR 37 -3.773 -0.885 -2.280 295 HB2 TYR 37 HB2 TYR 37 -3.199 -3.013 -3.229 296 HB3 TYR 37 HB1 TYR 37 -4.833 -3.255 -3.833 297 HD1 TYR 37 HD1 TYR 37 -5.291 -2.748 -6.050 298 HD2 TYR 37 HD2 TYR 37 -1.933 -0.917 -4.188 299 HE1 TYR 37 HE1 TYR 37 -4.677 -1.718 -8.190 300 HE2 TYR 37 HE2 TYR 37 -1.308 0.116 -6.327 301 HH TYR 37 HH TYR 37 -1.693 -0.298 -8.793 302 H GLN 38 H GLN 38 -7.023 -2.033 -3.113 303 HA GLN 38 HA GLN 38 -7.615 0.048 -4.938 304 HB2 GLN 38 HB2 GLN 38 -9.416 -1.753 -3.338 305 HB3 GLN 38 HB1 GLN 38 -10.000 -0.621 -4.549 306 HG2 GLN 38 HG2 GLN 38 -8.084 -2.874 -5.055 307 HG3 GLN 38 HG1 GLN 38 -9.818 -2.903 -5.393 308 HE21 GLN 38 1HE2 GLN 38 -10.614 -1.642 -7.051 309 HE22 GLN 38 2HE2 GLN 38 -9.623 -0.987 -8.289 310 H ARG 39 H ARG 39 -7.884 -0.241 -1.516 311 HA ARG 39 HA ARG 39 -9.487 2.076 -1.117 312 HB2 ARG 39 HB2 ARG 39 -7.658 0.595 0.770 313 HB3 ARG 39 HB1 ARG 39 -8.773 1.870 1.265 314 HG2 ARG 39 HG2 ARG 39 -10.657 0.530 0.619 315 HG3 ARG 39 HG1 ARG 39 -9.596 -0.693 -0.075 316 HD2 ARG 39 HD2 ARG 39 -8.670 -1.111 2.184 317 HD3 ARG 39 HD1 ARG 39 -9.822 0.056 2.839 318 HE ARG 39 HE ARG 39 -11.500 -1.494 1.649 319 HH11 ARG 39 HH11 ARG 39 -8.617 -2.601 3.460 320 HH12 ARG 39 HH12 ARG 39 -9.315 -4.069 3.906 321 HH21 ARG 39 HH21 ARG 39 -12.436 -3.553 2.278 322 HH22 ARG 39 HH22 ARG 39 -11.540 -4.640 3.215 323 H GLU 40 H GLU 40 -6.058 1.476 -1.364 324 HA GLU 40 HA GLU 40 -5.229 4.130 -0.652 325 HB2 GLU 40 HB2 GLU 40 -3.862 1.934 -2.190 326 HB3 GLU 40 HB1 GLU 40 -3.085 3.441 -1.733 327 HG2 GLU 40 HG2 GLU 40 -4.182 1.376 0.155 328 HG3 GLU 40 HG1 GLU 40 -2.484 1.595 -0.264 329 H LYS 41 H LYS 41 -6.083 2.444 -3.615 330 HA LYS 41 HA LYS 41 -5.343 4.531 -5.381 331 HB2 LYS 41 HB2 LYS 41 -7.196 2.180 -5.750 332 HB3 LYS 41 HB1 LYS 41 -6.685 3.239 -7.051 333 HG2 LYS 41 HG2 LYS 41 -4.864 1.528 -5.356 334 HG3 LYS 41 HG1 LYS 41 -5.393 1.143 -6.990 335 HD2 LYS 41 HD2 LYS 41 -3.804 3.604 -6.243 336 HD3 LYS 41 HD1 LYS 41 -3.099 2.115 -6.869 337 HE2 LYS 41 HE2 LYS 41 -4.349 2.331 -8.895 338 HE3 LYS 41 HE1 LYS 41 -5.192 3.743 -8.289 339 HZ1 LYS 41 HZ1 LYS 41 -3.152 4.971 -8.251 340 HZ2 LYS 41 HZ2 LYS 41 -3.410 4.349 -9.788 341 HZ3 LYS 41 HZ3 LYS 41 -2.243 3.653 -8.801 342 H GLY 42 H GLY 42 -7.928 4.110 -3.288 343 HA2 GLY 42 HA2 GLY 42 -9.492 6.150 -4.699 344 HA3 GLY 42 HA1 GLY 42 -10.119 5.069 -3.450 345 H GLN 43 H GLN 43 -10.818 7.160 -2.523 346 HA GLN 43 HA GLN 43 -8.717 8.228 -0.747 347 HB2 GLN 43 HB2 GLN 43 -10.944 9.859 -2.012 348 HB3 GLN 43 HB1 GLN 43 -9.711 10.454 -0.921 349 HG2 GLN 43 HG2 GLN 43 -9.236 9.422 -3.705 350 HG3 GLN 43 HG1 GLN 43 -9.319 11.117 -3.230 351 HE21 GLN 43 1HE2 GLN 43 -7.207 9.583 -4.479 352 HE22 GLN 43 2HE2 GLN 43 -5.821 9.735 -3.464 353 H HIS 44 H HIS 44 -9.955 9.411 1.170 354 HA HIS 44 HA HIS 44 -12.008 7.645 2.116 355 HB2 HIS 44 HB2 HIS 44 -11.245 10.413 3.168 356 HB3 HIS 44 HB1 HIS 44 -12.266 9.251 3.994 357 HD1 HIS 44 HD1 HIS 44 -11.043 7.198 5.133 358 HD2 HIS 44 HD2 HIS 44 -8.533 10.012 3.394 359 HE1 HIS 44 HE1 HIS 44 -8.741 6.709 6.011 360 H GLN 45 H GLN 45 -11.717 10.723 0.627 361 HA GLN 45 HA GLN 45 -14.418 11.449 0.334 362 HB2 GLN 45 HB2 GLN 45 -12.562 12.995 -0.118 363 HB3 GLN 45 HB1 GLN 45 -12.002 11.964 -1.424 364 HG2 GLN 45 HG2 GLN 45 -14.091 12.412 -2.634 365 HG3 GLN 45 HG1 GLN 45 -14.582 13.514 -1.350 366 HE21 GLN 45 1HE2 GLN 45 -12.413 12.975 -3.995 367 HE22 GLN 45 2HE2 GLN 45 -11.856 14.586 -4.148 368 H GLY 46 H GLY 46 -15.852 10.223 -0.632 369 HA2 GLY 46 HA2 GLY 46 -16.476 9.259 -2.865 370 HA3 GLY 46 HA1 GLY 46 -15.000 8.304 -2.696 371 H GLU 47 H GLU 47 -15.179 7.936 0.088 372 HA GLU 47 HA GLU 47 -17.222 5.878 0.164 373 HB2 GLU 47 HB2 GLU 47 -14.967 6.535 2.062 374 HB3 GLU 47 HB1 GLU 47 -16.092 5.202 2.280 375 HG2 GLU 47 HG2 GLU 47 -14.210 5.540 -0.030 376 HG3 GLU 47 HG1 GLU 47 -13.974 4.463 1.348 377 H THR 48 H THR 48 -16.620 8.886 1.169 378 HA THR 48 HA THR 48 -18.305 9.014 3.487 379 HB THR 48 HB THR 48 -17.270 11.271 1.758 380 HG1 THR 48 HG1 THR 48 -16.101 9.621 3.648 381 HG21 THR 48 HG21 THR 48 -18.230 11.228 4.632 382 HG22 THR 48 HG22 THR 48 -19.082 11.953 3.270 383 HG23 THR 48 HG23 THR 48 -17.542 12.626 3.803 384 H ASN 49 H ASN 49 -18.615 10.647 0.294 385 HA ASN 49 HA ASN 49 -21.481 10.192 0.467 386 HB2 ASN 49 HB2 ASN 49 -21.053 12.484 1.207 387 HB3 ASN 49 HB1 ASN 49 -20.109 12.793 -0.245 388 HD21 ASN 49 HD21 ASN 49 -23.167 11.020 0.014 389 HD22 ASN 49 HD22 ASN 49 -24.041 12.104 -0.996 Start of MODEL 9 1 H1 ARG 1 HT1 ARG 1 15.212 2.422 -11.224 2 H2 ARG 1 HT2 ARG 1 14.487 3.703 -10.434 3 H3 ARG 1 HT3 ARG 1 14.945 3.875 -12.053 4 HA ARG 1 HA ARG 1 12.587 3.576 -11.800 5 HB2 ARG 1 HB2 ARG 1 14.124 1.323 -13.071 6 HB3 ARG 1 HB1 ARG 1 12.375 1.392 -13.154 7 HG2 ARG 1 HG2 ARG 1 12.446 3.445 -14.362 8 HG3 ARG 1 HG1 ARG 1 14.184 3.588 -14.139 9 HD2 ARG 1 HD2 ARG 1 12.763 1.401 -15.644 10 HD3 ARG 1 HD1 ARG 1 13.599 2.769 -16.380 11 HE ARG 1 HE ARG 1 15.570 1.807 -15.010 12 HH11 ARG 1 HH11 ARG 1 13.143 -0.093 -16.784 13 HH12 ARG 1 HH12 ARG 1 14.203 -1.384 -17.118 14 HH21 ARG 1 HH21 ARG 1 17.010 0.001 -15.497 15 HH22 ARG 1 HH22 ARG 1 16.438 -1.335 -16.366 16 H GLY 2 H GLY 2 10.852 1.976 -11.383 17 HA2 GLY 2 HA2 GLY 2 11.101 -0.277 -9.887 18 HA3 GLY 2 HA1 GLY 2 11.074 1.059 -8.737 19 HA PRO 3 HA PRO 3 6.730 0.117 -10.060 20 HB2 PRO 3 HB2 PRO 3 5.789 -1.042 -7.860 21 HB3 PRO 3 HB1 PRO 3 6.733 -1.971 -9.028 22 HG2 PRO 3 HG2 PRO 3 7.568 -0.822 -6.404 23 HG3 PRO 3 HG1 PRO 3 8.006 -2.373 -7.142 24 HD2 PRO 3 HD2 PRO 3 9.564 -0.081 -7.179 25 HD3 PRO 3 HD1 PRO 3 9.741 -1.452 -8.296 26 H ASP 4 H ASP 4 4.710 0.671 -8.741 27 HA ASP 4 HA ASP 4 4.862 3.302 -7.635 28 HB2 ASP 4 HB2 ASP 4 2.629 1.250 -7.489 29 HB3 ASP 4 HB1 ASP 4 2.488 2.925 -6.996 30 H LYS 5 H LYS 5 4.650 3.852 -5.437 31 HA LYS 5 HA LYS 5 5.769 1.914 -3.703 32 HB2 LYS 5 HB2 LYS 5 4.664 4.670 -3.123 33 HB3 LYS 5 HB1 LYS 5 5.498 3.669 -1.934 34 HG2 LYS 5 HG2 LYS 5 7.491 3.639 -3.333 35 HG3 LYS 5 HG1 LYS 5 6.670 4.611 -4.541 36 HD2 LYS 5 HD2 LYS 5 6.483 6.449 -2.935 37 HD3 LYS 5 HD1 LYS 5 7.292 5.463 -1.714 38 HE2 LYS 5 HE2 LYS 5 8.885 7.000 -2.734 39 HE3 LYS 5 HE1 LYS 5 9.287 5.338 -3.145 40 HZ1 LYS 5 HZ1 LYS 5 8.302 5.670 -5.328 41 HZ2 LYS 5 HZ2 LYS 5 9.471 6.847 -5.039 42 HZ3 LYS 5 HZ3 LYS 5 7.840 7.235 -4.906 43 H SER 6 H SER 6 2.556 2.996 -4.398 44 HA SER 6 HA SER 6 1.191 1.725 -2.308 45 HB2 SER 6 HB2 SER 6 0.278 2.133 -5.150 46 HB3 SER 6 HB1 SER 6 -0.726 2.045 -3.700 47 HG SER 6 HG SER 6 -0.209 4.030 -3.177 48 H TYR 7 H TYR 7 2.432 0.650 -5.434 49 HA TYR 7 HA TYR 7 1.176 -1.925 -5.398 50 HB2 TYR 7 HB2 TYR 7 2.058 -0.709 -7.494 51 HB3 TYR 7 HB1 TYR 7 3.657 -1.159 -6.879 52 HD1 TYR 7 HD1 TYR 7 4.641 -3.134 -7.521 53 HD2 TYR 7 HD2 TYR 7 0.432 -2.684 -7.889 54 HE1 TYR 7 HE1 TYR 7 4.517 -5.285 -8.734 55 HE2 TYR 7 HE2 TYR 7 0.294 -4.817 -9.081 56 HH TYR 7 HH TYR 7 2.933 -6.996 -9.229 57 H LYS 8 H LYS 8 4.274 -0.565 -4.424 58 HA LYS 8 HA LYS 8 5.431 -3.019 -3.764 59 HB2 LYS 8 HB2 LYS 8 6.617 -0.735 -3.913 60 HB3 LYS 8 HB1 LYS 8 6.048 -0.465 -2.269 61 HG2 LYS 8 HG2 LYS 8 7.227 -2.522 -1.550 62 HG3 LYS 8 HG1 LYS 8 7.853 -2.704 -3.187 63 HD2 LYS 8 HD2 LYS 8 9.602 -1.662 -2.063 64 HD3 LYS 8 HD1 LYS 8 8.783 -0.316 -2.849 65 HE2 LYS 8 HE2 LYS 8 9.238 0.382 -0.627 66 HE3 LYS 8 HE1 LYS 8 7.514 0.012 -0.682 67 HZ1 LYS 8 HZ1 LYS 8 9.668 -1.699 0.419 68 HZ2 LYS 8 HZ2 LYS 8 8.095 -2.232 0.296 69 HZ3 LYS 8 HZ3 LYS 8 8.479 -0.928 1.303 70 H ARG 9 H ARG 9 3.485 -0.694 -1.917 71 HA ARG 9 HA ARG 9 3.354 -1.914 0.585 72 HB2 ARG 9 HB2 ARG 9 1.278 -0.387 -0.983 73 HB3 ARG 9 HB1 ARG 9 0.981 -0.959 0.649 74 HG2 ARG 9 HG2 ARG 9 3.283 0.834 -0.041 75 HG3 ARG 9 HG1 ARG 9 1.683 1.446 0.393 76 HD2 ARG 9 HD2 ARG 9 3.387 -0.372 2.094 77 HD3 ARG 9 HD1 ARG 9 3.190 1.364 2.326 78 HE ARG 9 HE ARG 9 0.651 0.131 2.278 79 HH11 ARG 9 HH11 ARG 9 3.481 0.449 4.395 80 HH12 ARG 9 HH12 ARG 9 2.581 0.210 5.822 81 HH21 ARG 9 HH21 ARG 9 -0.537 -0.190 4.230 82 HH22 ARG 9 HH22 ARG 9 0.269 -0.181 5.742 83 H LEU 10 H LEU 10 1.319 -2.481 -2.231 84 HA LEU 10 HA LEU 10 -0.256 -4.563 -1.237 85 HB2 LEU 10 HB2 LEU 10 -0.865 -3.480 -3.276 86 HB3 LEU 10 HB1 LEU 10 0.657 -3.899 -4.026 87 HG LEU 10 HG LEU 10 -0.006 -6.235 -4.151 88 HD11 LEU 10 HD11 LEU 10 -1.326 -6.390 -2.158 89 HD12 LEU 10 HD12 LEU 10 -2.243 -6.963 -3.547 90 HD13 LEU 10 HD13 LEU 10 -2.590 -5.373 -2.854 91 HD21 LEU 10 HD21 LEU 10 -1.843 -6.009 -5.750 92 HD22 LEU 10 HD22 LEU 10 -0.590 -4.791 -5.992 93 HD23 LEU 10 HD23 LEU 10 -2.106 -4.353 -5.201 94 H GLN 11 H GLN 11 2.819 -4.684 -2.974 95 HA GLN 11 HA GLN 11 3.055 -7.443 -2.908 96 HB2 GLN 11 HB2 GLN 11 4.644 -5.175 -3.716 97 HB3 GLN 11 HB1 GLN 11 5.635 -6.418 -2.962 98 HG2 GLN 11 HG2 GLN 11 5.459 -6.627 -5.387 99 HG3 GLN 11 HG1 GLN 11 4.894 -8.058 -4.514 100 HE21 GLN 11 1HE2 GLN 11 3.071 -5.028 -5.134 101 HE22 GLN 11 2HE2 GLN 11 1.893 -5.824 -6.115 102 H GLU 12 H GLU 12 4.194 -4.963 -0.613 103 HA GLU 12 HA GLU 12 5.568 -6.554 1.203 104 HB2 GLU 12 HB2 GLU 12 3.645 -4.311 1.828 105 HB3 GLU 12 HB1 GLU 12 4.841 -4.950 2.934 106 HG2 GLU 12 HG2 GLU 12 5.365 -3.475 0.375 107 HG3 GLU 12 HG1 GLU 12 5.482 -2.807 1.993 108 H CYS 13 H CYS 13 2.134 -5.755 1.044 109 HA CYS 13 HA CYS 13 1.230 -7.243 3.216 110 HB2 CYS 13 HB2 CYS 13 -0.095 -5.506 2.007 111 HB3 CYS 13 HB1 CYS 13 -0.287 -6.630 0.669 112 H GLN 14 H GLN 14 1.401 -8.123 -0.217 113 HA GLN 14 HA GLN 14 0.396 -10.719 0.135 114 HB2 GLN 14 HB2 GLN 14 2.054 -9.556 -2.087 115 HB3 GLN 14 HB1 GLN 14 1.325 -11.163 -2.138 116 HG2 GLN 14 HG2 GLN 14 -0.884 -10.104 -1.899 117 HG3 GLN 14 HG1 GLN 14 -0.097 -8.525 -1.945 118 HE21 GLN 14 1HE2 GLN 14 0.872 -7.858 -3.859 119 HE22 GLN 14 2HE2 GLN 14 0.475 -8.552 -5.382 120 H ARG 15 H ARG 15 3.721 -9.490 0.158 121 HA ARG 15 HA ARG 15 5.053 -11.958 0.323 122 HB2 ARG 15 HB2 ARG 15 5.752 -9.275 1.513 123 HB3 ARG 15 HB1 ARG 15 6.810 -10.665 1.599 124 HG2 ARG 15 HG2 ARG 15 5.855 -9.411 -0.963 125 HG3 ARG 15 HG1 ARG 15 7.380 -9.023 -0.175 126 HD2 ARG 15 HD2 ARG 15 7.891 -10.586 -1.861 127 HD3 ARG 15 HD1 ARG 15 7.940 -11.486 -0.350 128 HE ARG 15 HE ARG 15 5.470 -11.543 -1.881 129 HH11 ARG 15 HH11 ARG 15 8.392 -13.295 -0.854 130 HH12 ARG 15 HH12 ARG 15 7.910 -14.756 -1.554 131 HH21 ARG 15 HH21 ARG 15 4.833 -13.549 -2.780 132 HH22 ARG 15 HH22 ARG 15 5.838 -14.924 -2.662 133 H ARG 16 H ARG 16 3.663 -9.874 2.789 134 HA ARG 16 HA ARG 16 4.404 -11.453 4.987 135 HB2 ARG 16 HB2 ARG 16 2.046 -9.604 4.689 136 HB3 ARG 16 HB1 ARG 16 2.536 -10.340 6.200 137 HG2 ARG 16 HG2 ARG 16 4.753 -9.116 5.885 138 HG3 ARG 16 HG1 ARG 16 3.933 -8.231 4.600 139 HD2 ARG 16 HD2 ARG 16 3.827 -7.051 6.757 140 HD3 ARG 16 HD1 ARG 16 2.228 -7.478 6.137 141 HE ARG 16 HE ARG 16 3.099 -9.553 7.801 142 HH11 ARG 16 HH11 ARG 16 2.031 -6.181 8.138 143 HH12 ARG 16 HH12 ARG 16 1.508 -6.383 9.742 144 HH21 ARG 16 HH21 ARG 16 2.397 -9.828 9.940 145 HH22 ARG 16 HH22 ARG 16 1.710 -8.527 10.817 146 H CYS 17 H CYS 17 1.438 -11.332 3.157 147 HA CYS 17 HA CYS 17 0.090 -13.319 4.501 148 HB2 CYS 17 HB2 CYS 17 -0.041 -12.549 1.598 149 HB3 CYS 17 HB1 CYS 17 -1.165 -13.638 2.391 150 H GLN 18 H GLN 18 2.462 -13.654 1.935 151 HA GLN 18 HA GLN 18 1.970 -16.474 1.760 152 HB2 GLN 18 HB2 GLN 18 4.205 -14.875 0.525 153 HB3 GLN 18 HB1 GLN 18 3.877 -16.574 0.201 154 HG2 GLN 18 HG2 GLN 18 1.540 -15.799 -0.446 155 HG3 GLN 18 HG1 GLN 18 2.218 -14.192 -0.469 156 HE21 GLN 18 1HE2 GLN 18 1.910 -13.928 -2.668 157 HE22 GLN 18 2HE2 GLN 18 2.869 -14.751 -3.840 158 H SER 19 H SER 19 3.698 -14.644 3.896 159 HA SER 19 HA SER 19 5.512 -16.832 4.534 160 HB2 SER 19 HB2 SER 19 5.354 -14.048 5.712 161 HB3 SER 19 HB1 SER 19 6.648 -15.224 5.949 162 HG SER 19 HG SER 19 5.932 -13.842 3.581 163 H GLU 20 H GLU 20 3.110 -14.703 6.106 164 HA GLU 20 HA GLU 20 3.083 -16.257 8.519 165 HB2 GLU 20 HB2 GLU 20 1.506 -13.846 7.680 166 HB3 GLU 20 HB1 GLU 20 1.666 -14.472 9.318 167 HG2 GLU 20 HG2 GLU 20 4.036 -13.994 9.299 168 HG3 GLU 20 HG1 GLU 20 3.939 -13.495 7.631 169 H GLN 21 H GLN 21 1.264 -16.362 5.552 170 HA GLN 21 HA GLN 21 -0.907 -17.707 6.992 171 HB2 GLN 21 HB2 GLN 21 -1.212 -16.181 4.408 172 HB3 GLN 21 HB1 GLN 21 -2.491 -16.861 5.398 173 HG2 GLN 21 HG2 GLN 21 -0.694 -14.587 6.185 174 HG3 GLN 21 HG1 GLN 21 -2.323 -14.410 5.555 175 HE21 GLN 21 1HE2 GLN 21 -1.203 -13.521 8.012 176 HE22 GLN 21 2HE2 GLN 21 -2.124 -14.234 9.284 177 H GLN 22 H GLN 22 -1.869 -19.455 5.776 178 HA GLN 22 HA GLN 22 -0.422 -20.315 3.388 179 HB2 GLN 22 HB2 GLN 22 -0.409 -22.632 4.181 180 HB3 GLN 22 HB1 GLN 22 0.587 -21.589 5.174 181 HG2 GLN 22 HG2 GLN 22 -1.269 -21.488 6.824 182 HG3 GLN 22 HG1 GLN 22 -2.177 -22.617 5.823 183 HE21 GLN 22 1HE2 GLN 22 0.469 -22.190 7.970 184 HE22 GLN 22 2HE2 GLN 22 0.792 -23.858 8.256 185 H GLY 23 H GLY 23 -1.527 -21.807 2.170 186 HA2 GLY 23 HA2 GLY 23 -3.342 -22.579 0.979 187 HA3 GLY 23 HA1 GLY 23 -3.952 -23.012 2.561 188 H GLN 24 H GLN 24 -5.821 -22.260 3.057 189 HA GLN 24 HA GLN 24 -7.212 -20.460 1.323 190 HB2 GLN 24 HB2 GLN 24 -8.315 -22.427 2.300 191 HB3 GLN 24 HB1 GLN 24 -8.072 -21.769 3.909 192 HG2 GLN 24 HG2 GLN 24 -9.563 -19.922 3.409 193 HG3 GLN 24 HG1 GLN 24 -9.748 -20.502 1.755 194 HE21 GLN 24 1HE2 GLN 24 -11.766 -20.094 3.818 195 HE22 GLN 24 2HE2 GLN 24 -12.541 -21.607 4.030 196 H ARG 25 H ARG 25 -5.694 -20.303 4.475 197 HA ARG 25 HA ARG 25 -6.778 -17.835 5.344 198 HB2 ARG 25 HB2 ARG 25 -4.013 -18.937 5.900 199 HB3 ARG 25 HB1 ARG 25 -4.890 -17.766 6.873 200 HG2 ARG 25 HG2 ARG 25 -5.716 -20.617 6.430 201 HG3 ARG 25 HG1 ARG 25 -4.868 -20.030 7.850 202 HD2 ARG 25 HD2 ARG 25 -6.772 -18.556 8.351 203 HD3 ARG 25 HD1 ARG 25 -7.592 -19.136 6.899 204 HE ARG 25 HE ARG 25 -6.857 -21.264 8.624 205 HH11 ARG 25 HH11 ARG 25 -9.256 -18.728 8.227 206 HH12 ARG 25 HH12 ARG 25 -10.517 -19.558 9.005 207 HH21 ARG 25 HH21 ARG 25 -8.557 -22.441 9.727 208 HH22 ARG 25 HH22 ARG 25 -10.105 -21.750 9.895 209 H LEU 26 H LEU 26 -4.064 -18.768 3.360 210 HA LEU 26 HA LEU 26 -2.972 -16.206 2.953 211 HB2 LEU 26 HB2 LEU 26 -1.602 -18.019 2.461 212 HB3 LEU 26 HB1 LEU 26 -2.778 -18.779 1.404 213 HG LEU 26 HG LEU 26 -2.315 -17.091 -0.318 214 HD11 LEU 26 HD11 LEU 26 -1.852 -15.199 1.081 215 HD12 LEU 26 HD12 LEU 26 -0.497 -15.475 -0.011 216 HD13 LEU 26 HD13 LEU 26 -0.381 -15.957 1.691 217 HD21 LEU 26 HD21 LEU 26 -0.026 -17.716 -0.839 218 HD22 LEU 26 HD22 LEU 26 -0.925 -19.109 -0.226 219 HD23 LEU 26 HD23 LEU 26 0.208 -18.256 0.822 220 H GLN 27 H GLN 27 -5.420 -18.022 1.194 221 HA GLN 27 HA GLN 27 -5.719 -16.178 -0.890 222 HB2 GLN 27 HB2 GLN 27 -7.750 -18.091 0.255 223 HB3 GLN 27 HB1 GLN 27 -7.977 -17.182 -1.234 224 HG2 GLN 27 HG2 GLN 27 -5.902 -19.295 -0.691 225 HG3 GLN 27 HG1 GLN 27 -7.296 -19.424 -1.761 226 HE21 GLN 27 1HE2 GLN 27 -7.270 -18.284 -3.726 227 HE22 GLN 27 2HE2 GLN 27 -5.815 -17.687 -4.412 228 H GLU 28 H GLU 28 -7.387 -16.369 2.261 229 HA GLU 28 HA GLU 28 -9.034 -14.128 1.886 230 HB2 GLU 28 HB2 GLU 28 -7.826 -15.282 4.387 231 HB3 GLU 28 HB1 GLU 28 -9.065 -14.035 4.368 232 HG2 GLU 28 HG2 GLU 28 -9.341 -16.795 3.242 233 HG3 GLU 28 HG1 GLU 28 -9.932 -16.271 4.812 234 H CYS 29 H CYS 29 -5.820 -14.489 3.291 235 HA CYS 29 HA CYS 29 -5.452 -11.882 4.168 236 HB2 CYS 29 HB2 CYS 29 -4.090 -13.863 4.786 237 HB3 CYS 29 HB1 CYS 29 -3.313 -13.778 3.216 238 H GLN 30 H GLN 30 -4.273 -13.354 1.099 239 HA GLN 30 HA GLN 30 -3.238 -10.857 0.237 240 HB2 GLN 30 HB2 GLN 30 -2.850 -11.874 -1.957 241 HB3 GLN 30 HB1 GLN 30 -2.304 -12.918 -0.659 242 HG2 GLN 30 HG2 GLN 30 -4.254 -14.307 -0.920 243 HG3 GLN 30 HG1 GLN 30 -4.883 -13.249 -2.192 244 HE21 GLN 30 1HE2 GLN 30 -1.515 -14.159 -1.775 245 HE22 GLN 30 2HE2 GLN 30 -1.408 -15.109 -3.210 246 H GLN 31 H GLN 31 -6.375 -12.297 -0.078 247 HA GLN 31 HA GLN 31 -7.397 -10.612 -2.077 248 HB2 GLN 31 HB2 GLN 31 -8.570 -12.637 -1.263 249 HB3 GLN 31 HB1 GLN 31 -8.843 -11.846 0.278 250 HG2 GLN 31 HG2 GLN 31 -10.241 -10.180 -0.808 251 HG3 GLN 31 HG1 GLN 31 -9.931 -10.932 -2.371 252 HE21 GLN 31 1HE2 GLN 31 -11.561 -11.229 0.664 253 HE22 GLN 31 2HE2 GLN 31 -12.603 -12.516 0.210 254 H ARG 32 H ARG 32 -7.223 -10.321 1.446 255 HA ARG 32 HA ARG 32 -8.460 -7.838 1.798 256 HB2 ARG 32 HB2 ARG 32 -6.118 -9.038 3.264 257 HB3 ARG 32 HB1 ARG 32 -6.915 -7.558 3.762 258 HG2 ARG 32 HG2 ARG 32 -8.975 -8.794 4.129 259 HG3 ARG 32 HG1 ARG 32 -8.181 -10.280 3.592 260 HD2 ARG 32 HD2 ARG 32 -6.617 -10.164 5.412 261 HD3 ARG 32 HD1 ARG 32 -7.236 -8.595 5.909 262 HE ARG 32 HE ARG 32 -9.353 -10.364 5.937 263 HH11 ARG 32 HH11 ARG 32 -6.265 -10.009 7.629 264 HH12 ARG 32 HH12 ARG 32 -6.829 -10.643 9.102 265 HH21 ARG 32 HH21 ARG 32 -10.147 -11.241 7.958 266 HH22 ARG 32 HH22 ARG 32 -9.097 -11.376 9.286 267 H CYS 33 H CYS 33 -5.150 -8.649 0.944 268 HA CYS 33 HA CYS 33 -3.992 -6.130 1.031 269 HB2 CYS 33 HB2 CYS 33 -3.340 -8.367 -0.892 270 HB3 CYS 33 HB1 CYS 33 -2.301 -7.006 -0.486 271 H GLN 34 H GLN 34 -5.938 -7.647 -1.476 272 HA GLN 34 HA GLN 34 -5.432 -5.717 -3.460 273 HB2 GLN 34 HB2 GLN 34 -7.835 -7.517 -3.097 274 HB3 GLN 34 HB1 GLN 34 -7.544 -6.542 -4.529 275 HG2 GLN 34 HG2 GLN 34 -5.548 -8.566 -3.573 276 HG3 GLN 34 HG1 GLN 34 -6.905 -9.016 -4.592 277 HE21 GLN 34 1HE2 GLN 34 -5.344 -5.897 -5.068 278 HE22 GLN 34 2HE2 GLN 34 -4.570 -6.325 -6.531 279 H GLN 35 H GLN 35 -8.315 -5.990 -1.271 280 HA GLN 35 HA GLN 35 -9.418 -3.550 -1.895 281 HB2 GLN 35 HB2 GLN 35 -9.443 -5.041 0.731 282 HB3 GLN 35 HB1 GLN 35 -10.432 -3.633 0.394 283 HG2 GLN 35 HG2 GLN 35 -11.907 -5.428 0.017 284 HG3 GLN 35 HG1 GLN 35 -11.268 -4.956 -1.570 285 HE21 GLN 35 1HE2 GLN 35 -10.269 -6.365 -2.806 286 HE22 GLN 35 2HE2 GLN 35 -9.937 -7.994 -2.345 287 H GLU 36 H GLU 36 -6.912 -4.319 0.477 288 HA GLU 36 HA GLU 36 -6.748 -1.773 1.531 289 HB2 GLU 36 HB2 GLU 36 -4.850 -4.044 1.470 290 HB3 GLU 36 HB1 GLU 36 -4.366 -2.503 2.161 291 HG2 GLU 36 HG2 GLU 36 -6.441 -2.665 3.623 292 HG3 GLU 36 HG1 GLU 36 -6.649 -4.298 3.004 293 H TYR 37 H TYR 37 -5.046 -3.205 -1.093 294 HA TYR 37 HA TYR 37 -3.271 -1.146 -1.799 295 HB2 TYR 37 HB2 TYR 37 -3.120 -3.296 -2.863 296 HB3 TYR 37 HB1 TYR 37 -4.730 -3.133 -3.541 297 HD1 TYR 37 HD1 TYR 37 -1.429 -1.355 -3.612 298 HD2 TYR 37 HD2 TYR 37 -4.886 -2.578 -5.746 299 HE1 TYR 37 HE1 TYR 37 -0.438 -0.494 -5.678 300 HE2 TYR 37 HE2 TYR 37 -3.897 -1.712 -7.847 301 HH TYR 37 HH TYR 37 -2.165 0.065 -8.435 302 H GLN 38 H GLN 38 -6.642 -1.431 -2.418 303 HA GLN 38 HA GLN 38 -6.783 0.869 -4.108 304 HB2 GLN 38 HB2 GLN 38 -8.923 -0.686 -2.675 305 HB3 GLN 38 HB1 GLN 38 -9.243 0.616 -3.818 306 HG2 GLN 38 HG2 GLN 38 -8.253 -0.626 -5.605 307 HG3 GLN 38 HG1 GLN 38 -7.685 -1.864 -4.488 308 HE21 GLN 38 1HE2 GLN 38 -8.746 -3.451 -5.595 309 HE22 GLN 38 2HE2 GLN 38 -10.455 -3.676 -5.505 310 H ARG 39 H ARG 39 -6.987 0.375 -0.629 311 HA ARG 39 HA ARG 39 -7.954 3.079 -0.291 312 HB2 ARG 39 HB2 ARG 39 -8.111 2.655 2.095 313 HB3 ARG 39 HB1 ARG 39 -8.778 1.281 1.233 314 HG2 ARG 39 HG2 ARG 39 -6.652 0.090 1.590 315 HG3 ARG 39 HG1 ARG 39 -6.085 1.458 2.527 316 HD2 ARG 39 HD2 ARG 39 -8.547 -0.142 3.191 317 HD3 ARG 39 HD1 ARG 39 -6.991 -0.378 3.968 318 HE ARG 39 HE ARG 39 -8.620 2.069 4.116 319 HH11 ARG 39 HH11 ARG 39 -6.215 -0.096 5.601 320 HH12 ARG 39 HH12 ARG 39 -6.209 0.686 7.097 321 HH21 ARG 39 HH21 ARG 39 -8.597 3.141 6.154 322 HH22 ARG 39 HH22 ARG 39 -7.642 2.580 7.453 323 H GLU 40 H GLU 40 -5.078 1.498 -0.608 324 HA GLU 40 HA GLU 40 -3.501 3.762 0.401 325 HB2 GLU 40 HB2 GLU 40 -2.666 0.904 -0.191 326 HB3 GLU 40 HB1 GLU 40 -1.604 2.168 0.408 327 HG2 GLU 40 HG2 GLU 40 -2.927 2.278 2.470 328 HG3 GLU 40 HG1 GLU 40 -3.962 0.993 1.855 329 H LYS 41 H LYS 41 -4.980 3.736 -2.028 330 HA LYS 41 HA LYS 41 -3.466 2.850 -4.243 331 HB2 LYS 41 HB2 LYS 41 -5.018 4.132 -5.665 332 HB3 LYS 41 HB1 LYS 41 -5.853 3.128 -4.495 333 HG2 LYS 41 HG2 LYS 41 -6.316 5.069 -3.123 334 HG3 LYS 41 HG1 LYS 41 -5.404 6.091 -4.238 335 HD2 LYS 41 HD2 LYS 41 -6.986 5.549 -6.024 336 HD3 LYS 41 HD1 LYS 41 -7.886 4.513 -4.917 337 HE2 LYS 41 HE2 LYS 41 -8.375 6.445 -3.504 338 HE3 LYS 41 HE1 LYS 41 -7.468 7.486 -4.600 339 HZ1 LYS 41 HZ1 LYS 41 -9.052 7.018 -6.332 340 HZ2 LYS 41 HZ2 LYS 41 -9.878 7.562 -4.951 341 HZ3 LYS 41 HZ3 LYS 41 -9.866 5.924 -5.336 342 H GLY 42 H GLY 42 -3.534 5.858 -2.547 343 HA2 GLY 42 HA2 GLY 42 -1.601 6.979 -4.448 344 HA3 GLY 42 HA1 GLY 42 -2.468 7.882 -3.204 345 H GLN 43 H GLN 43 -0.398 8.689 -2.535 346 HA GLN 43 HA GLN 43 1.352 6.742 -1.352 347 HB2 GLN 43 HB2 GLN 43 2.815 8.665 -0.754 348 HB3 GLN 43 HB1 GLN 43 2.446 8.600 -2.465 349 HG2 GLN 43 HG2 GLN 43 0.769 10.380 -2.140 350 HG3 GLN 43 HG1 GLN 43 1.206 10.449 -0.438 351 HE21 GLN 43 1HE2 GLN 43 2.152 11.170 -3.658 352 HE22 GLN 43 2HE2 GLN 43 3.478 12.204 -3.268 353 H HIS 44 H HIS 44 -0.071 5.863 0.030 354 HA HIS 44 HA HIS 44 -1.637 7.134 1.948 355 HB2 HIS 44 HB2 HIS 44 -1.825 4.765 1.136 356 HB3 HIS 44 HB1 HIS 44 -0.464 4.359 2.165 357 HD1 HIS 44 HD1 HIS 44 -4.161 4.866 2.236 358 HD2 HIS 44 HD2 HIS 44 -1.034 4.449 4.950 359 HE1 HIS 44 HE1 HIS 44 -5.217 4.272 4.426 360 H GLN 45 H GLN 45 1.727 6.020 2.210 361 HA GLN 45 HA GLN 45 1.883 7.039 4.972 362 HB2 GLN 45 HB2 GLN 45 3.917 5.546 3.325 363 HB3 GLN 45 HB1 GLN 45 4.002 5.911 5.031 364 HG2 GLN 45 HG2 GLN 45 2.156 4.386 5.448 365 HG3 GLN 45 HG1 GLN 45 2.055 4.040 3.716 366 HE21 GLN 45 1HE2 GLN 45 3.870 3.566 6.609 367 HE22 GLN 45 2HE2 GLN 45 4.923 2.344 5.981 368 H GLY 46 H GLY 46 1.850 8.438 2.200 369 HA2 GLY 46 HA2 GLY 46 2.988 10.175 1.181 370 HA3 GLY 46 HA1 GLY 46 4.158 10.138 2.516 371 H GLU 47 H GLU 47 5.927 10.131 0.946 372 HA GLU 47 HA GLU 47 6.078 7.623 -0.461 373 HB2 GLU 47 HB2 GLU 47 7.964 9.972 -0.423 374 HB3 GLU 47 HB1 GLU 47 8.267 8.486 -1.313 375 HG2 GLU 47 HG2 GLU 47 6.078 8.880 -2.487 376 HG3 GLU 47 HG1 GLU 47 6.068 10.479 -1.747 377 H THR 48 H THR 48 6.399 5.997 0.827 378 HA THR 48 HA THR 48 7.626 5.866 3.242 379 HB THR 48 HB THR 48 7.672 3.674 1.172 380 HG1 THR 48 HG1 THR 48 5.428 3.566 2.565 381 HG21 THR 48 HG21 THR 48 8.694 3.181 3.372 382 HG22 THR 48 HG22 THR 48 7.218 2.246 3.126 383 HG23 THR 48 HG23 THR 48 7.198 3.669 4.166 384 H ASN 49 H ASN 49 9.024 5.641 0.041 385 HA ASN 49 HA ASN 49 11.698 5.397 1.202 386 HB2 ASN 49 HB2 ASN 49 10.665 4.198 -1.386 387 HB3 ASN 49 HB1 ASN 49 12.346 4.162 -0.870 388 HD21 ASN 49 HD21 ASN 49 12.940 2.789 0.813 389 HD22 ASN 49 HD22 ASN 49 11.921 1.513 1.376 Start of MODEL 10 1 H1 ARG 1 HT1 ARG 1 10.291 3.092 -14.479 2 H2 ARG 1 HT2 ARG 1 11.092 4.426 -13.845 3 H3 ARG 1 HT3 ARG 1 10.147 4.600 -15.243 4 HA ARG 1 HA ARG 1 9.002 5.476 -13.343 5 HB2 ARG 1 HB2 ARG 1 7.599 4.472 -15.052 6 HB3 ARG 1 HB1 ARG 1 7.899 2.870 -14.405 7 HG2 ARG 1 HG2 ARG 1 6.722 3.472 -12.348 8 HG3 ARG 1 HG1 ARG 1 6.403 5.074 -13.005 9 HD2 ARG 1 HD2 ARG 1 4.479 3.549 -13.220 10 HD3 ARG 1 HD1 ARG 1 5.071 4.130 -14.771 11 HE ARG 1 HE ARG 1 6.017 1.994 -15.180 12 HH11 ARG 1 HH11 ARG 1 4.037 2.000 -12.218 13 HH12 ARG 1 HH12 ARG 1 3.656 0.343 -12.376 14 HH21 ARG 1 HH21 ARG 1 5.456 -0.248 -15.303 15 HH22 ARG 1 HH22 ARG 1 4.438 -0.939 -14.112 16 H GLY 2 H GLY 2 9.088 5.481 -11.210 17 HA2 GLY 2 HA2 GLY 2 9.835 3.099 -9.764 18 HA3 GLY 2 HA1 GLY 2 9.469 4.689 -9.079 19 HA PRO 3 HA PRO 3 5.649 1.647 -9.446 20 HB2 PRO 3 HB2 PRO 3 5.874 0.262 -7.073 21 HB3 PRO 3 HB1 PRO 3 6.401 -0.378 -8.634 22 HG2 PRO 3 HG2 PRO 3 7.991 0.961 -6.496 23 HG3 PRO 3 HG1 PRO 3 8.400 -0.487 -7.443 24 HD2 PRO 3 HD2 PRO 3 9.473 1.885 -8.032 25 HD3 PRO 3 HD1 PRO 3 8.973 0.773 -9.328 26 H ASP 4 H ASP 4 3.788 2.038 -8.229 27 HA ASP 4 HA ASP 4 3.884 4.509 -6.772 28 HB2 ASP 4 HB2 ASP 4 1.901 3.711 -8.238 29 HB3 ASP 4 HB1 ASP 4 1.551 2.658 -6.852 30 H LYS 5 H LYS 5 3.044 4.723 -4.703 31 HA LYS 5 HA LYS 5 4.402 2.976 -2.898 32 HB2 LYS 5 HB2 LYS 5 3.435 4.408 -1.085 33 HB3 LYS 5 HB1 LYS 5 4.379 5.276 -2.288 34 HG2 LYS 5 HG2 LYS 5 2.298 6.044 -3.326 35 HG3 LYS 5 HG1 LYS 5 1.373 5.164 -2.108 36 HD2 LYS 5 HD2 LYS 5 2.316 6.518 -0.345 37 HD3 LYS 5 HD1 LYS 5 3.378 7.333 -1.476 38 HE2 LYS 5 HE2 LYS 5 0.360 7.457 -1.492 39 HE3 LYS 5 HE1 LYS 5 1.435 8.708 -0.874 40 HZ1 LYS 5 HZ1 LYS 5 0.717 9.269 -3.080 41 HZ2 LYS 5 HZ2 LYS 5 1.214 7.789 -3.684 42 HZ3 LYS 5 HZ3 LYS 5 2.361 8.895 -3.155 43 H SER 6 H SER 6 1.128 3.398 -3.891 44 HA SER 6 HA SER 6 -0.171 1.820 -1.961 45 HB2 SER 6 HB2 SER 6 -0.920 2.048 -4.861 46 HB3 SER 6 HB1 SER 6 -1.988 1.886 -3.462 47 HG SER 6 HG SER 6 -0.617 4.080 -4.458 48 H TYR 7 H TYR 7 1.378 1.107 -5.050 49 HA TYR 7 HA TYR 7 0.539 -1.628 -5.068 50 HB2 TYR 7 HB2 TYR 7 1.048 -0.219 -7.139 51 HB3 TYR 7 HB1 TYR 7 2.752 -0.449 -6.754 52 HD1 TYR 7 HD1 TYR 7 3.811 -2.550 -7.141 53 HD2 TYR 7 HD2 TYR 7 -0.343 -2.128 -7.814 54 HE1 TYR 7 HE1 TYR 7 3.778 -4.742 -8.298 55 HE2 TYR 7 HE2 TYR 7 -0.400 -4.291 -8.976 56 HH TYR 7 HH TYR 7 2.069 -6.500 -8.741 57 H LYS 8 H LYS 8 3.344 0.145 -4.031 58 HA LYS 8 HA LYS 8 4.985 -2.079 -3.527 59 HB2 LYS 8 HB2 LYS 8 4.923 0.642 -2.220 60 HB3 LYS 8 HB1 LYS 8 6.176 -0.559 -1.939 61 HG2 LYS 8 HG2 LYS 8 6.849 -0.448 -4.262 62 HG3 LYS 8 HG1 LYS 8 5.530 0.669 -4.612 63 HD2 LYS 8 HD2 LYS 8 7.657 1.856 -4.369 64 HD3 LYS 8 HD1 LYS 8 6.520 2.325 -3.107 65 HE2 LYS 8 HE2 LYS 8 7.632 0.814 -1.539 66 HE3 LYS 8 HE1 LYS 8 8.755 0.322 -2.806 67 HZ1 LYS 8 HZ1 LYS 8 9.615 2.576 -2.862 68 HZ2 LYS 8 HZ2 LYS 8 9.669 1.981 -1.286 69 HZ3 LYS 8 HZ3 LYS 8 8.464 3.063 -1.726 70 H ARG 9 H ARG 9 2.701 -0.252 -1.523 71 HA ARG 9 HA ARG 9 2.964 -1.642 0.881 72 HB2 ARG 9 HB2 ARG 9 0.521 -0.320 -0.310 73 HB3 ARG 9 HB1 ARG 9 0.583 -0.942 1.329 74 HG2 ARG 9 HG2 ARG 9 2.332 0.647 1.884 75 HG3 ARG 9 HG1 ARG 9 2.342 1.233 0.220 76 HD2 ARG 9 HD2 ARG 9 1.057 2.719 1.677 77 HD3 ARG 9 HD1 ARG 9 0.028 1.978 0.452 78 HE ARG 9 HE ARG 9 0.064 0.494 2.868 79 HH11 ARG 9 HH11 ARG 9 -1.363 3.365 1.406 80 HH12 ARG 9 HH12 ARG 9 -2.777 3.354 2.358 81 HH21 ARG 9 HH21 ARG 9 -1.889 0.422 4.157 82 HH22 ARG 9 HH22 ARG 9 -3.119 1.580 3.946 83 H LEU 10 H LEU 10 0.889 -2.217 -1.871 84 HA LEU 10 HA LEU 10 -0.445 -4.486 -1.007 85 HB2 LEU 10 HB2 LEU 10 -1.148 -3.413 -3.013 86 HB3 LEU 10 HB1 LEU 10 0.418 -3.642 -3.758 87 HG LEU 10 HG LEU 10 0.037 -6.033 -3.920 88 HD11 LEU 10 HD11 LEU 10 -2.617 -5.480 -2.603 89 HD12 LEU 10 HD12 LEU 10 -1.274 -6.473 -1.998 90 HD13 LEU 10 HD13 LEU 10 -2.177 -6.989 -3.413 91 HD21 LEU 10 HD21 LEU 10 -2.254 -4.407 -5.006 92 HD22 LEU 10 HD22 LEU 10 -1.774 -6.011 -5.561 93 HD23 LEU 10 HD23 LEU 10 -0.679 -4.644 -5.767 94 H GLN 11 H GLN 11 2.648 -4.274 -2.754 95 HA GLN 11 HA GLN 11 3.209 -6.988 -3.015 96 HB2 GLN 11 HB2 GLN 11 5.178 -4.757 -2.488 97 HB3 GLN 11 HB1 GLN 11 5.588 -6.352 -3.096 98 HG2 GLN 11 HG2 GLN 11 4.323 -5.926 -5.110 99 HG3 GLN 11 HG1 GLN 11 3.839 -4.352 -4.486 100 HE21 GLN 11 1HE2 GLN 11 4.765 -3.218 -6.044 101 HE22 GLN 11 2HE2 GLN 11 6.477 -3.078 -6.310 102 H GLU 12 H GLU 12 4.231 -4.762 -0.474 103 HA GLU 12 HA GLU 12 5.528 -6.549 1.209 104 HB2 GLU 12 HB2 GLU 12 3.835 -4.203 2.021 105 HB3 GLU 12 HB1 GLU 12 5.100 -4.943 2.990 106 HG2 GLU 12 HG2 GLU 12 6.768 -4.212 1.394 107 HG3 GLU 12 HG1 GLU 12 5.506 -3.539 0.360 108 H CYS 13 H CYS 13 2.134 -5.562 1.181 109 HA CYS 13 HA CYS 13 1.279 -7.011 3.406 110 HB2 CYS 13 HB2 CYS 13 -0.008 -5.191 2.244 111 HB3 CYS 13 HB1 CYS 13 -0.393 -6.345 0.975 112 H GLN 14 H GLN 14 1.039 -7.936 -0.055 113 HA GLN 14 HA GLN 14 -0.046 -10.466 0.574 114 HB2 GLN 14 HB2 GLN 14 0.449 -11.082 -1.817 115 HB3 GLN 14 HB1 GLN 14 -0.536 -9.647 -1.609 116 HG2 GLN 14 HG2 GLN 14 1.286 -8.235 -2.105 117 HG3 GLN 14 HG1 GLN 14 2.431 -9.588 -2.137 118 HE21 GLN 14 1HE2 GLN 14 -0.047 -7.862 -3.776 119 HE22 GLN 14 2HE2 GLN 14 0.149 -8.628 -5.316 120 H ARG 15 H ARG 15 3.281 -9.416 0.051 121 HA ARG 15 HA ARG 15 4.411 -11.994 0.016 122 HB2 ARG 15 HB2 ARG 15 5.605 -9.336 0.803 123 HB3 ARG 15 HB1 ARG 15 6.534 -10.822 0.676 124 HG2 ARG 15 HG2 ARG 15 5.001 -9.546 -1.582 125 HG3 ARG 15 HG1 ARG 15 6.735 -9.379 -1.313 126 HD2 ARG 15 HD2 ARG 15 5.258 -11.965 -1.835 127 HD3 ARG 15 HD1 ARG 15 6.247 -11.093 -2.997 128 HE ARG 15 HE ARG 15 8.015 -11.422 -1.116 129 HH11 ARG 15 HH11 ARG 15 5.673 -13.821 -2.271 130 HH12 ARG 15 HH12 ARG 15 6.698 -15.144 -1.937 131 HH21 ARG 15 HH21 ARG 15 9.360 -13.241 -0.656 132 HH22 ARG 15 HH22 ARG 15 8.819 -14.821 -1.006 133 H ARG 16 H ARG 16 3.660 -9.799 2.665 134 HA ARG 16 HA ARG 16 4.824 -11.402 4.689 135 HB2 ARG 16 HB2 ARG 16 2.538 -9.429 4.891 136 HB3 ARG 16 HB1 ARG 16 3.355 -10.153 6.266 137 HG2 ARG 16 HG2 ARG 16 5.430 -9.085 5.604 138 HG3 ARG 16 HG1 ARG 16 4.623 -8.362 4.215 139 HD2 ARG 16 HD2 ARG 16 4.770 -6.741 6.031 140 HD3 ARG 16 HD1 ARG 16 3.091 -7.176 5.717 141 HE ARG 16 HE ARG 16 4.280 -8.784 7.730 142 HH11 ARG 16 HH11 ARG 16 2.759 -5.606 7.210 143 HH12 ARG 16 HH12 ARG 16 2.206 -5.464 8.819 144 HH21 ARG 16 HH21 ARG 16 3.528 -8.553 9.944 145 HH22 ARG 16 HH22 ARG 16 2.624 -7.181 10.380 146 H CYS 17 H CYS 17 1.617 -11.222 3.355 147 HA CYS 17 HA CYS 17 0.379 -13.166 4.918 148 HB2 CYS 17 HB2 CYS 17 -0.083 -12.436 2.034 149 HB3 CYS 17 HB1 CYS 17 -1.126 -13.517 2.944 150 H GLN 18 H GLN 18 2.378 -13.521 2.025 151 HA GLN 18 HA GLN 18 1.980 -16.295 1.724 152 HB2 GLN 18 HB2 GLN 18 4.247 -14.542 0.798 153 HB3 GLN 18 HB1 GLN 18 4.017 -16.212 0.301 154 HG2 GLN 18 HG2 GLN 18 1.771 -15.542 -0.558 155 HG3 GLN 18 HG1 GLN 18 2.207 -13.890 -0.207 156 HE21 GLN 18 1HE2 GLN 18 2.977 -16.616 -2.219 157 HE22 GLN 18 2HE2 GLN 18 3.827 -15.734 -3.431 158 H SER 19 H SER 19 3.895 -14.524 3.909 159 HA SER 19 HA SER 19 5.630 -16.767 4.433 160 HB2 SER 19 HB2 SER 19 6.482 -14.410 4.519 161 HB3 SER 19 HB1 SER 19 5.426 -14.117 5.895 162 HG SER 19 HG SER 19 6.822 -15.046 7.144 163 H GLU 20 H GLU 20 3.168 -14.873 6.260 164 HA GLU 20 HA GLU 20 3.250 -16.693 8.454 165 HB2 GLU 20 HB2 GLU 20 1.535 -14.345 7.789 166 HB3 GLU 20 HB1 GLU 20 1.546 -15.183 9.337 167 HG2 GLU 20 HG2 GLU 20 3.977 -13.981 8.100 168 HG3 GLU 20 HG1 GLU 20 2.925 -13.079 9.175 169 H GLN 21 H GLN 21 1.242 -16.421 5.579 170 HA GLN 21 HA GLN 21 -0.658 -18.260 6.847 171 HB2 GLN 21 HB2 GLN 21 -1.337 -16.153 4.797 172 HB3 GLN 21 HB1 GLN 21 -2.461 -17.230 5.598 173 HG2 GLN 21 HG2 GLN 21 -0.891 -14.986 6.864 174 HG3 GLN 21 HG1 GLN 21 -2.619 -15.009 6.539 175 HE21 GLN 21 1HE2 GLN 21 -1.269 -14.576 9.014 176 HE22 GLN 21 2HE2 GLN 21 -1.741 -15.813 10.120 177 H GLN 22 H GLN 22 -1.704 -19.734 5.405 178 HA GLN 22 HA GLN 22 -0.845 -19.883 2.654 179 HB2 GLN 22 HB2 GLN 22 -0.287 -22.270 2.821 180 HB3 GLN 22 HB1 GLN 22 0.837 -21.248 3.691 181 HG2 GLN 22 HG2 GLN 22 -0.280 -21.838 5.784 182 HG3 GLN 22 HG1 GLN 22 -1.383 -22.882 4.891 183 HE21 GLN 22 1HE2 GLN 22 2.007 -22.546 4.105 184 HE22 GLN 22 2HE2 GLN 22 2.454 -24.136 4.589 185 H GLY 23 H GLY 23 -2.075 -21.598 1.525 186 HA2 GLY 23 HA2 GLY 23 -4.087 -22.459 0.857 187 HA3 GLY 23 HA1 GLY 23 -4.369 -22.836 2.544 188 H GLN 24 H GLN 24 -6.382 -22.227 2.931 189 HA GLN 24 HA GLN 24 -7.809 -20.137 1.742 190 HB2 GLN 24 HB2 GLN 24 -8.847 -22.053 2.883 191 HB3 GLN 24 HB1 GLN 24 -8.229 -21.480 4.421 192 HG2 GLN 24 HG2 GLN 24 -10.561 -20.963 4.230 193 HG3 GLN 24 HG1 GLN 24 -9.621 -19.473 4.207 194 HE21 GLN 24 1HE2 GLN 24 -11.203 -18.334 3.203 195 HE22 GLN 24 2HE2 GLN 24 -11.634 -18.563 1.553 196 H ARG 25 H ARG 25 -5.802 -20.245 4.647 197 HA ARG 25 HA ARG 25 -6.413 -17.712 5.693 198 HB2 ARG 25 HB2 ARG 25 -3.902 -19.374 5.806 199 HB3 ARG 25 HB1 ARG 25 -4.149 -17.909 6.741 200 HG2 ARG 25 HG2 ARG 25 -6.004 -20.248 6.911 201 HG3 ARG 25 HG1 ARG 25 -4.557 -20.129 7.905 202 HD2 ARG 25 HD2 ARG 25 -6.882 -18.187 7.819 203 HD3 ARG 25 HD1 ARG 25 -6.502 -19.309 9.125 204 HE ARG 25 HE ARG 25 -4.339 -17.559 8.549 205 HH11 ARG 25 HH11 ARG 25 -7.320 -17.838 10.422 206 HH12 ARG 25 HH12 ARG 25 -6.988 -16.511 11.434 207 HH21 ARG 25 HH21 ARG 25 -3.856 -15.757 9.947 208 HH22 ARG 25 HH22 ARG 25 -4.947 -15.310 11.171 209 H LEU 26 H LEU 26 -4.110 -18.790 3.280 210 HA LEU 26 HA LEU 26 -2.859 -16.258 2.933 211 HB2 LEU 26 HB2 LEU 26 -1.666 -18.160 2.286 212 HB3 LEU 26 HB1 LEU 26 -2.926 -18.712 1.185 213 HG LEU 26 HG LEU 26 -2.411 -16.723 -0.242 214 HD11 LEU 26 HD11 LEU 26 -0.305 -15.535 0.135 215 HD12 LEU 26 HD12 LEU 26 -0.131 -16.362 1.689 216 HD13 LEU 26 HD13 LEU 26 -1.478 -15.258 1.419 217 HD21 LEU 26 HD21 LEU 26 -0.313 -17.613 -1.131 218 HD22 LEU 26 HD22 LEU 26 -1.463 -18.896 -0.755 219 HD23 LEU 26 HD23 LEU 26 -0.109 -18.578 0.330 220 H GLN 27 H GLN 27 -5.389 -18.001 1.207 221 HA GLN 27 HA GLN 27 -5.894 -16.297 -0.900 222 HB2 GLN 27 HB2 GLN 27 -7.927 -17.790 0.762 223 HB3 GLN 27 HB1 GLN 27 -8.246 -17.058 -0.798 224 HG2 GLN 27 HG2 GLN 27 -6.684 -18.582 -1.851 225 HG3 GLN 27 HG1 GLN 27 -6.306 -19.296 -0.284 226 HE21 GLN 27 1HE2 GLN 27 -9.533 -18.300 -1.242 227 HE22 GLN 27 2HE2 GLN 27 -10.184 -19.893 -1.307 228 H GLU 28 H GLU 28 -7.476 -16.244 2.259 229 HA GLU 28 HA GLU 28 -8.887 -13.898 1.870 230 HB2 GLU 28 HB2 GLU 28 -8.018 -15.403 4.285 231 HB3 GLU 28 HB1 GLU 28 -8.894 -13.883 4.423 232 HG2 GLU 28 HG2 GLU 28 -9.870 -16.193 2.796 233 HG3 GLU 28 HG1 GLU 28 -10.284 -15.966 4.494 234 H CYS 29 H CYS 29 -5.713 -14.417 3.305 235 HA CYS 29 HA CYS 29 -5.407 -11.797 4.252 236 HB2 CYS 29 HB2 CYS 29 -4.100 -13.847 4.942 237 HB3 CYS 29 HB1 CYS 29 -3.186 -13.671 3.458 238 H GLN 30 H GLN 30 -4.132 -13.319 1.246 239 HA GLN 30 HA GLN 30 -3.004 -10.825 0.450 240 HB2 GLN 30 HB2 GLN 30 -2.472 -11.869 -1.701 241 HB3 GLN 30 HB1 GLN 30 -1.979 -12.870 -0.348 242 HG2 GLN 30 HG2 GLN 30 -3.863 -14.330 -0.689 243 HG3 GLN 30 HG1 GLN 30 -4.480 -13.287 -1.969 244 HE21 GLN 30 1HE2 GLN 30 -1.086 -13.994 -1.559 245 HE22 GLN 30 2HE2 GLN 30 -0.917 -14.965 -2.964 246 H GLN 31 H GLN 31 -6.096 -12.354 -0.173 247 HA GLN 31 HA GLN 31 -6.854 -10.643 -2.298 248 HB2 GLN 31 HB2 GLN 31 -7.985 -12.788 -1.734 249 HB3 GLN 31 HB1 GLN 31 -8.653 -12.020 -0.306 250 HG2 GLN 31 HG2 GLN 31 -9.809 -10.396 -1.767 251 HG3 GLN 31 HG1 GLN 31 -9.197 -11.275 -3.168 252 HE21 GLN 31 1HE2 GLN 31 -11.924 -10.815 -2.379 253 HE22 GLN 31 2HE2 GLN 31 -12.644 -12.370 -2.176 254 H ARG 32 H ARG 32 -7.073 -10.398 1.218 255 HA ARG 32 HA ARG 32 -8.686 -8.064 1.060 256 HB2 ARG 32 HB2 ARG 32 -8.439 -7.790 3.418 257 HB3 ARG 32 HB1 ARG 32 -8.655 -9.502 3.083 258 HG2 ARG 32 HG2 ARG 32 -6.216 -9.794 3.392 259 HG3 ARG 32 HG1 ARG 32 -6.117 -8.090 3.853 260 HD2 ARG 32 HD2 ARG 32 -7.781 -8.528 5.640 261 HD3 ARG 32 HD1 ARG 32 -7.734 -10.232 5.200 262 HE ARG 32 HE ARG 32 -5.170 -9.142 5.843 263 HH11 ARG 32 HH11 ARG 32 -8.111 -10.620 7.179 264 HH12 ARG 32 HH12 ARG 32 -7.353 -11.116 8.628 265 HH21 ARG 32 HH21 ARG 32 -4.173 -9.779 7.886 266 HH22 ARG 32 HH22 ARG 32 -5.103 -10.659 9.020 267 H CYS 33 H CYS 33 -5.313 -8.699 1.066 268 HA CYS 33 HA CYS 33 -4.359 -6.060 1.355 269 HB2 CYS 33 HB2 CYS 33 -3.199 -8.293 -0.333 270 HB3 CYS 33 HB1 CYS 33 -2.365 -6.802 0.069 271 H GLN 34 H GLN 34 -5.528 -7.866 -1.460 272 HA GLN 34 HA GLN 34 -5.001 -5.942 -3.432 273 HB2 GLN 34 HB2 GLN 34 -7.257 -7.947 -3.273 274 HB3 GLN 34 HB1 GLN 34 -6.839 -7.044 -4.715 275 HG2 GLN 34 HG2 GLN 34 -5.122 -9.085 -3.314 276 HG3 GLN 34 HG1 GLN 34 -5.990 -9.311 -4.827 277 HE21 GLN 34 1HE2 GLN 34 -3.219 -9.628 -4.334 278 HE22 GLN 34 2HE2 GLN 34 -2.363 -8.530 -5.365 279 H GLN 35 H GLN 35 -7.801 -6.460 -1.371 280 HA GLN 35 HA GLN 35 -9.305 -4.301 -2.372 281 HB2 GLN 35 HB2 GLN 35 -9.438 -5.692 0.296 282 HB3 GLN 35 HB1 GLN 35 -10.591 -4.463 -0.214 283 HG2 GLN 35 HG2 GLN 35 -10.090 -7.115 -1.550 284 HG3 GLN 35 HG1 GLN 35 -11.493 -6.677 -0.575 285 HE21 GLN 35 1HE2 GLN 35 -9.905 -6.295 -3.631 286 HE22 GLN 35 2HE2 GLN 35 -11.186 -5.508 -4.448 287 H GLU 36 H GLU 36 -7.110 -4.510 0.398 288 HA GLU 36 HA GLU 36 -7.347 -1.904 1.366 289 HB2 GLU 36 HB2 GLU 36 -5.003 -3.766 1.273 290 HB3 GLU 36 HB1 GLU 36 -4.946 -2.223 2.100 291 HG2 GLU 36 HG2 GLU 36 -6.797 -4.530 2.702 292 HG3 GLU 36 HG1 GLU 36 -5.390 -4.054 3.650 293 H TYR 37 H TYR 37 -5.258 -3.192 -1.082 294 HA TYR 37 HA TYR 37 -3.828 -0.966 -1.878 295 HB2 TYR 37 HB2 TYR 37 -3.298 -3.143 -2.742 296 HB3 TYR 37 HB1 TYR 37 -4.885 -3.301 -3.471 297 HD1 TYR 37 HD1 TYR 37 -1.976 -0.967 -3.605 298 HD2 TYR 37 HD2 TYR 37 -4.990 -3.034 -5.764 299 HE1 TYR 37 HE1 TYR 37 -1.058 -0.108 -5.705 300 HE2 TYR 37 HE2 TYR 37 -4.068 -2.167 -7.876 301 HH TYR 37 HH TYR 37 -2.734 -0.347 -8.635 302 H GLN 38 H GLN 38 -6.932 -2.103 -3.155 303 HA GLN 38 HA GLN 38 -7.278 0.091 -4.919 304 HB2 GLN 38 HB2 GLN 38 -9.346 -1.771 -3.764 305 HB3 GLN 38 HB1 GLN 38 -9.608 -0.689 -5.123 306 HG2 GLN 38 HG2 GLN 38 -7.946 -1.922 -6.418 307 HG3 GLN 38 HG1 GLN 38 -7.669 -2.990 -5.042 308 HE21 GLN 38 1HE2 GLN 38 -8.603 -3.594 -7.725 309 HE22 GLN 38 2HE2 GLN 38 -10.123 -4.396 -7.532 310 H ARG 39 H ARG 39 -8.093 -0.402 -1.600 311 HA ARG 39 HA ARG 39 -9.922 1.775 -1.356 312 HB2 ARG 39 HB2 ARG 39 -8.342 0.307 0.743 313 HB3 ARG 39 HB1 ARG 39 -9.571 1.506 1.092 314 HG2 ARG 39 HG2 ARG 39 -11.253 0.086 0.037 315 HG3 ARG 39 HG1 ARG 39 -10.008 -1.117 -0.316 316 HD2 ARG 39 HD2 ARG 39 -11.206 -1.748 1.693 317 HD3 ARG 39 HD1 ARG 39 -9.546 -1.307 2.098 318 HE ARG 39 HE ARG 39 -11.551 0.771 2.302 319 HH11 ARG 39 HH11 ARG 39 -9.440 -1.524 4.069 320 HH12 ARG 39 HH12 ARG 39 -9.810 -0.835 5.579 321 HH21 ARG 39 HH21 ARG 39 -11.972 1.673 4.368 322 HH22 ARG 39 HH22 ARG 39 -11.251 1.022 5.765 323 H GLU 40 H GLU 40 -6.489 1.407 -0.493 324 HA GLU 40 HA GLU 40 -6.484 4.280 0.105 325 HB2 GLU 40 HB2 GLU 40 -4.624 2.127 1.054 326 HB3 GLU 40 HB1 GLU 40 -4.516 3.830 1.469 327 HG2 GLU 40 HG2 GLU 40 -6.794 3.648 2.447 328 HG3 GLU 40 HG1 GLU 40 -6.694 1.906 2.184 329 H LYS 41 H LYS 41 -6.115 3.098 -2.570 330 HA LYS 41 HA LYS 41 -3.335 3.452 -3.129 331 HB2 LYS 41 HB2 LYS 41 -3.978 3.268 -5.537 332 HB3 LYS 41 HB1 LYS 41 -4.561 1.937 -4.551 333 HG2 LYS 41 HG2 LYS 41 -6.779 2.909 -4.507 334 HG3 LYS 41 HG1 LYS 41 -6.208 4.277 -5.465 335 HD2 LYS 41 HD2 LYS 41 -5.658 2.772 -7.294 336 HD3 LYS 41 HD1 LYS 41 -6.191 1.390 -6.333 337 HE2 LYS 41 HE2 LYS 41 -8.439 2.321 -6.233 338 HE3 LYS 41 HE1 LYS 41 -7.912 3.715 -7.171 339 HZ1 LYS 41 HZ1 LYS 41 -7.927 0.899 -8.095 340 HZ2 LYS 41 HZ2 LYS 41 -7.418 2.215 -9.018 341 HZ3 LYS 41 HZ3 LYS 41 -9.020 2.089 -8.539 342 H GLY 42 H GLY 42 -6.201 5.456 -3.796 343 HA2 GLY 42 HA2 GLY 42 -6.354 7.723 -4.214 344 HA3 GLY 42 HA1 GLY 42 -4.668 7.876 -3.713 345 H GLN 43 H GLN 43 -3.051 7.185 -5.215 346 HA GLN 43 HA GLN 43 -3.649 7.944 -7.967 347 HB2 GLN 43 HB2 GLN 43 -0.984 7.234 -6.703 348 HB3 GLN 43 HB1 GLN 43 -1.232 7.967 -8.271 349 HG2 GLN 43 HG2 GLN 43 -1.802 9.247 -5.605 350 HG3 GLN 43 HG1 GLN 43 -0.422 9.580 -6.641 351 HE21 GLN 43 1HE2 GLN 43 -2.101 9.499 -9.087 352 HE22 GLN 43 2HE2 GLN 43 -2.994 10.964 -9.068 353 H HIS 44 H HIS 44 -2.636 6.470 -9.675 354 HA HIS 44 HA HIS 44 -2.132 3.778 -8.953 355 HB2 HIS 44 HB2 HIS 44 -4.695 4.026 -8.932 356 HB3 HIS 44 HB1 HIS 44 -4.563 4.330 -10.660 357 HD1 HIS 44 HD1 HIS 44 -4.322 2.260 -12.177 358 HD2 HIS 44 HD2 HIS 44 -3.963 1.437 -8.130 359 HE1 HIS 44 HE1 HIS 44 -4.287 -0.253 -11.979 360 H GLN 45 H GLN 45 -0.566 3.377 -10.275 361 HA GLN 45 HA GLN 45 -0.208 4.833 -12.751 362 HB2 GLN 45 HB2 GLN 45 1.436 2.623 -11.529 363 HB3 GLN 45 HB1 GLN 45 1.888 3.610 -12.902 364 HG2 GLN 45 HG2 GLN 45 2.042 5.561 -11.505 365 HG3 GLN 45 HG1 GLN 45 1.441 4.649 -10.117 366 HE21 GLN 45 1HE2 GLN 45 3.975 6.033 -10.484 367 HE22 GLN 45 2HE2 GLN 45 5.204 4.845 -10.227 368 H GLY 46 H GLY 46 -1.839 4.052 -14.070 369 HA2 GLY 46 HA2 GLY 46 -1.313 1.423 -15.199 370 HA3 GLY 46 HA1 GLY 46 -2.877 1.594 -14.415 371 H GLU 47 H GLU 47 -4.380 3.021 -15.256 372 HA GLU 47 HA GLU 47 -4.184 3.270 -18.135 373 HB2 GLU 47 HB2 GLU 47 -6.497 3.893 -16.296 374 HB3 GLU 47 HB1 GLU 47 -6.567 3.775 -18.049 375 HG2 GLU 47 HG2 GLU 47 -5.825 1.395 -17.828 376 HG3 GLU 47 HG1 GLU 47 -6.033 1.562 -16.088 377 H THR 48 H THR 48 -2.766 4.944 -16.138 378 HA THR 48 HA THR 48 -3.577 7.636 -16.287 379 HB THR 48 HB THR 48 -0.764 6.642 -15.981 380 HG1 THR 48 HG1 THR 48 -2.252 6.524 -13.657 381 HG21 THR 48 HG21 THR 48 -2.447 8.698 -14.518 382 HG22 THR 48 HG22 THR 48 -1.215 9.047 -15.727 383 HG23 THR 48 HG23 THR 48 -0.756 8.346 -14.177 384 H ASN 49 H ASN 49 -2.116 5.407 -18.405 385 HA ASN 49 HA ASN 49 -1.064 7.473 -20.190 386 HB2 ASN 49 HB2 ASN 49 0.544 5.726 -19.527 387 HB3 ASN 49 HB1 ASN 49 -0.590 4.491 -20.048 388 HD21 ASN 49 HD21 ASN 49 -0.772 4.044 -22.195 389 HD22 ASN 49 HD22 ASN 49 0.319 4.634 -23.398 Start of MODEL 11 1 H1 ARG 1 HT1 ARG 1 6.369 8.084 -9.674 2 H2 ARG 1 HT2 ARG 1 5.157 7.364 -10.566 3 H3 ARG 1 HT3 ARG 1 5.723 8.874 -11.032 4 HA ARG 1 HA ARG 1 6.623 7.166 -12.469 5 HB2 ARG 1 HB2 ARG 1 8.680 8.100 -10.446 6 HB3 ARG 1 HB1 ARG 1 9.068 7.407 -12.004 7 HG2 ARG 1 HG2 ARG 1 7.586 9.990 -11.555 8 HG3 ARG 1 HG1 ARG 1 9.290 9.831 -11.980 9 HD2 ARG 1 HD2 ARG 1 6.958 8.912 -13.664 10 HD3 ARG 1 HD1 ARG 1 7.908 10.368 -13.934 11 HE ARG 1 HE ARG 1 9.533 8.037 -13.867 12 HH11 ARG 1 HH11 ARG 1 7.387 9.941 -15.966 13 HH12 ARG 1 HH12 ARG 1 8.027 9.278 -17.403 14 HH21 ARG 1 HH21 ARG 1 10.374 7.145 -15.889 15 HH22 ARG 1 HH22 ARG 1 9.683 7.664 -17.349 16 H GLY 2 H GLY 2 6.643 5.020 -12.608 17 HA2 GLY 2 HA2 GLY 2 7.176 2.834 -12.077 18 HA3 GLY 2 HA1 GLY 2 7.959 3.437 -10.618 19 HA PRO 3 HA PRO 3 4.018 1.552 -9.179 20 HB2 PRO 3 HB2 PRO 3 5.078 0.238 -7.084 21 HB3 PRO 3 HB1 PRO 3 5.160 -0.440 -8.717 22 HG2 PRO 3 HG2 PRO 3 7.214 1.115 -7.209 23 HG3 PRO 3 HG1 PRO 3 7.439 -0.414 -8.089 24 HD2 PRO 3 HD2 PRO 3 8.109 1.964 -9.161 25 HD3 PRO 3 HD1 PRO 3 7.435 0.668 -10.166 26 H ASP 4 H ASP 4 2.812 2.497 -7.569 27 HA ASP 4 HA ASP 4 4.111 4.658 -6.108 28 HB2 ASP 4 HB2 ASP 4 1.761 4.798 -7.273 29 HB3 ASP 4 HB1 ASP 4 1.180 3.998 -5.819 30 H LYS 5 H LYS 5 3.170 4.929 -3.787 31 HA LYS 5 HA LYS 5 4.511 3.049 -2.203 32 HB2 LYS 5 HB2 LYS 5 3.672 4.343 -0.299 33 HB3 LYS 5 HB1 LYS 5 4.256 5.395 -1.578 34 HG2 LYS 5 HG2 LYS 5 1.823 5.620 -2.303 35 HG3 LYS 5 HG1 LYS 5 1.399 4.837 -0.787 36 HD2 LYS 5 HD2 LYS 5 1.218 7.214 -0.507 37 HD3 LYS 5 HD1 LYS 5 2.618 6.661 0.412 38 HE2 LYS 5 HE2 LYS 5 3.151 8.709 -0.777 39 HE3 LYS 5 HE1 LYS 5 4.083 7.377 -1.444 40 HZ1 LYS 5 HZ1 LYS 5 3.232 8.705 -3.213 41 HZ2 LYS 5 HZ2 LYS 5 1.672 8.643 -2.642 42 HZ3 LYS 5 HZ3 LYS 5 2.369 7.260 -3.281 43 H SER 6 H SER 6 1.057 3.481 -2.837 44 HA SER 6 HA SER 6 0.186 1.541 -1.010 45 HB2 SER 6 HB2 SER 6 -1.185 2.553 -3.505 46 HB3 SER 6 HB1 SER 6 -1.963 1.757 -2.134 47 HG SER 6 HG SER 6 -1.572 4.300 -2.412 48 H TYR 7 H TYR 7 1.398 1.313 -4.289 49 HA TYR 7 HA TYR 7 0.415 -1.368 -4.670 50 HB2 TYR 7 HB2 TYR 7 0.783 0.180 -6.600 51 HB3 TYR 7 HB1 TYR 7 2.511 0.127 -6.271 52 HD1 TYR 7 HD1 TYR 7 -0.389 -1.999 -7.176 53 HD2 TYR 7 HD2 TYR 7 3.833 -1.587 -7.183 54 HE1 TYR 7 HE1 TYR 7 -0.213 -3.985 -8.599 55 HE2 TYR 7 HE2 TYR 7 4.027 -3.573 -8.629 56 HH TYR 7 HH TYR 7 1.354 -4.931 -10.198 57 H LYS 8 H LYS 8 3.331 0.223 -3.660 58 HA LYS 8 HA LYS 8 4.963 -2.048 -3.533 59 HB2 LYS 8 HB2 LYS 8 5.010 0.542 -1.986 60 HB3 LYS 8 HB1 LYS 8 6.252 -0.683 -1.800 61 HG2 LYS 8 HG2 LYS 8 5.564 0.659 -4.410 62 HG3 LYS 8 HG1 LYS 8 6.852 1.186 -3.330 63 HD2 LYS 8 HD2 LYS 8 6.683 -1.561 -4.592 64 HD3 LYS 8 HD1 LYS 8 7.655 -0.229 -5.207 65 HE2 LYS 8 HE2 LYS 8 8.912 -0.174 -3.090 66 HE3 LYS 8 HE1 LYS 8 7.945 -1.514 -2.482 67 HZ1 LYS 8 HZ1 LYS 8 8.832 -2.918 -4.213 68 HZ2 LYS 8 HZ2 LYS 8 10.099 -2.208 -3.337 69 HZ3 LYS 8 HZ3 LYS 8 9.706 -1.626 -4.859 70 H ARG 9 H ARG 9 2.981 -0.407 -1.100 71 HA ARG 9 HA ARG 9 3.291 -2.190 1.017 72 HB2 ARG 9 HB2 ARG 9 0.947 -0.452 0.277 73 HB3 ARG 9 HB1 ARG 9 1.043 -1.355 1.777 74 HG2 ARG 9 HG2 ARG 9 3.027 -0.094 2.423 75 HG3 ARG 9 HG1 ARG 9 2.952 0.790 0.893 76 HD2 ARG 9 HD2 ARG 9 1.966 2.065 2.759 77 HD3 ARG 9 HD1 ARG 9 0.795 1.709 1.487 78 HE ARG 9 HE ARG 9 0.978 0.023 3.880 79 HH11 ARG 9 HH11 ARG 9 -0.943 2.211 1.829 80 HH12 ARG 9 HH12 ARG 9 -2.429 1.794 2.527 81 HH21 ARG 9 HH21 ARG 9 -1.098 -0.505 4.896 82 HH22 ARG 9 HH22 ARG 9 -2.501 0.243 4.323 83 H LEU 10 H LEU 10 1.019 -2.249 -1.666 84 HA LEU 10 HA LEU 10 -0.535 -4.414 -0.875 85 HB2 LEU 10 HB2 LEU 10 -1.134 -2.919 -2.700 86 HB3 LEU 10 HB1 LEU 10 0.245 -3.439 -3.622 87 HG LEU 10 HG LEU 10 -2.101 -4.262 -4.292 88 HD11 LEU 10 HD11 LEU 10 0.122 -6.242 -3.993 89 HD12 LEU 10 HD12 LEU 10 -0.120 -5.108 -5.340 90 HD13 LEU 10 HD13 LEU 10 -1.297 -6.399 -5.033 91 HD21 LEU 10 HD21 LEU 10 -1.525 -6.157 -2.034 92 HD22 LEU 10 HD22 LEU 10 -2.785 -6.369 -3.244 93 HD23 LEU 10 HD23 LEU 10 -2.859 -5.007 -2.119 94 H GLN 11 H GLN 11 2.331 -4.375 -2.909 95 HA GLN 11 HA GLN 11 2.617 -7.133 -3.259 96 HB2 GLN 11 HB2 GLN 11 4.734 -4.989 -3.143 97 HB3 GLN 11 HB1 GLN 11 5.019 -6.643 -3.666 98 HG2 GLN 11 HG2 GLN 11 3.567 -6.366 -5.539 99 HG3 GLN 11 HG1 GLN 11 3.083 -4.765 -4.978 100 HE21 GLN 11 1HE2 GLN 11 4.484 -3.087 -5.160 101 HE22 GLN 11 2HE2 GLN 11 5.881 -3.134 -6.192 102 H GLU 12 H GLU 12 4.095 -5.004 -0.817 103 HA GLU 12 HA GLU 12 5.448 -7.077 0.497 104 HB2 GLU 12 HB2 GLU 12 4.609 -4.383 1.585 105 HB3 GLU 12 HB1 GLU 12 5.751 -5.477 2.357 106 HG2 GLU 12 HG2 GLU 12 7.177 -5.305 0.307 107 HG3 GLU 12 HG1 GLU 12 6.081 -4.060 -0.276 108 H CYS 13 H CYS 13 2.212 -5.805 0.905 109 HA CYS 13 HA CYS 13 1.584 -7.063 3.330 110 HB2 CYS 13 HB2 CYS 13 0.232 -5.253 2.128 111 HB3 CYS 13 HB1 CYS 13 -0.378 -6.533 1.091 112 H GLN 14 H GLN 14 1.085 -8.141 -0.036 113 HA GLN 14 HA GLN 14 0.073 -10.633 0.857 114 HB2 GLN 14 HB2 GLN 14 0.225 -11.385 -1.516 115 HB3 GLN 14 HB1 GLN 14 -0.705 -9.916 -1.280 116 HG2 GLN 14 HG2 GLN 14 1.181 -8.601 -2.087 117 HG3 GLN 14 HG1 GLN 14 2.117 -10.086 -2.320 118 HE21 GLN 14 1HE2 GLN 14 -0.516 -8.159 -3.424 119 HE22 GLN 14 2HE2 GLN 14 -0.722 -8.953 -4.944 120 H ARG 15 H ARG 15 3.273 -9.511 0.077 121 HA ARG 15 HA ARG 15 4.624 -11.972 0.092 122 HB2 ARG 15 HB2 ARG 15 5.466 -9.228 1.002 123 HB3 ARG 15 HB1 ARG 15 6.561 -10.596 1.039 124 HG2 ARG 15 HG2 ARG 15 5.199 -9.559 -1.430 125 HG3 ARG 15 HG1 ARG 15 6.835 -9.139 -0.929 126 HD2 ARG 15 HD2 ARG 15 5.818 -11.902 -1.608 127 HD3 ARG 15 HD1 ARG 15 6.873 -10.902 -2.602 128 HE ARG 15 HE ARG 15 8.000 -11.311 -0.033 129 HH11 ARG 15 HH11 ARG 15 7.540 -12.929 -3.144 130 HH12 ARG 15 HH12 ARG 15 8.849 -13.999 -2.924 131 HH21 ARG 15 HH21 ARG 15 9.721 -12.791 0.280 132 HH22 ARG 15 HH22 ARG 15 10.114 -13.934 -0.921 133 H ARG 16 H ARG 16 3.628 -9.851 2.706 134 HA ARG 16 HA ARG 16 4.649 -11.453 4.797 135 HB2 ARG 16 HB2 ARG 16 2.420 -9.425 4.754 136 HB3 ARG 16 HB1 ARG 16 2.934 -10.243 6.217 137 HG2 ARG 16 HG2 ARG 16 4.667 -8.479 4.504 138 HG3 ARG 16 HG1 ARG 16 3.877 -7.997 6.006 139 HD2 ARG 16 HD2 ARG 16 5.972 -10.152 5.697 140 HD3 ARG 16 HD1 ARG 16 6.198 -8.559 6.412 141 HE ARG 16 HE ARG 16 4.159 -10.221 7.646 142 HH11 ARG 16 HH11 ARG 16 7.566 -9.266 7.695 143 HH12 ARG 16 HH12 ARG 16 7.788 -9.585 9.341 144 HH21 ARG 16 HH21 ARG 16 4.463 -10.718 9.920 145 HH22 ARG 16 HH22 ARG 16 5.985 -10.420 10.636 146 H CYS 17 H CYS 17 1.450 -11.202 3.396 147 HA CYS 17 HA CYS 17 0.146 -13.083 4.901 148 HB2 CYS 17 HB2 CYS 17 -0.181 -12.423 2.001 149 HB3 CYS 17 HB1 CYS 17 -1.277 -13.464 2.888 150 H GLN 18 H GLN 18 2.276 -13.689 2.151 151 HA GLN 18 HA GLN 18 1.506 -16.490 2.184 152 HB2 GLN 18 HB2 GLN 18 3.032 -16.819 0.312 153 HB3 GLN 18 HB1 GLN 18 1.949 -15.466 0.026 154 HG2 GLN 18 HG2 GLN 18 3.710 -13.915 0.593 155 HG3 GLN 18 HG1 GLN 18 4.775 -15.283 0.944 156 HE21 GLN 18 1HE2 GLN 18 6.253 -14.648 -0.601 157 HE22 GLN 18 2HE2 GLN 18 5.954 -14.803 -2.296 158 H SER 19 H SER 19 3.729 -14.642 3.818 159 HA SER 19 HA SER 19 5.497 -16.899 4.242 160 HB2 SER 19 HB2 SER 19 6.369 -14.559 3.854 161 HB3 SER 19 HB1 SER 19 5.644 -14.096 5.388 162 HG SER 19 HG SER 19 7.434 -14.727 6.213 163 H GLU 20 H GLU 20 3.085 -14.899 5.879 164 HA GLU 20 HA GLU 20 3.421 -16.288 8.388 165 HB2 GLU 20 HB2 GLU 20 1.541 -14.086 7.584 166 HB3 GLU 20 HB1 GLU 20 1.871 -14.634 9.222 167 HG2 GLU 20 HG2 GLU 20 4.221 -13.958 8.940 168 HG3 GLU 20 HG1 GLU 20 3.832 -13.387 7.338 169 H GLN 21 H GLN 21 1.225 -16.378 5.635 170 HA GLN 21 HA GLN 21 -0.535 -18.199 7.128 171 HB2 GLN 21 HB2 GLN 21 -1.313 -16.176 5.020 172 HB3 GLN 21 HB1 GLN 21 -2.394 -17.360 5.726 173 HG2 GLN 21 HG2 GLN 21 -1.017 -15.139 7.216 174 HG3 GLN 21 HG1 GLN 21 -2.685 -15.113 6.650 175 HE21 GLN 21 1HE2 GLN 21 -1.651 -14.918 9.372 176 HE22 GLN 21 2HE2 GLN 21 -2.402 -16.202 10.244 177 H GLN 22 H GLN 22 -1.740 -19.675 5.637 178 HA GLN 22 HA GLN 22 -0.599 -20.051 2.997 179 HB2 GLN 22 HB2 GLN 22 -0.282 -22.443 3.280 180 HB3 GLN 22 HB1 GLN 22 0.739 -21.579 4.412 181 HG2 GLN 22 HG2 GLN 22 -0.738 -22.122 6.225 182 HG3 GLN 22 HG1 GLN 22 -1.926 -22.807 5.115 183 HE21 GLN 22 1HE2 GLN 22 -1.496 -24.808 4.187 184 HE22 GLN 22 2HE2 GLN 22 -0.306 -25.880 4.809 185 H GLY 23 H GLY 23 -1.851 -21.730 1.842 186 HA2 GLY 23 HA2 GLY 23 -3.805 -22.588 1.036 187 HA3 GLY 23 HA1 GLY 23 -4.269 -22.807 2.714 188 H GLN 24 H GLN 24 -6.272 -22.121 2.852 189 HA GLN 24 HA GLN 24 -7.389 -20.063 1.254 190 HB2 GLN 24 HB2 GLN 24 -8.696 -21.907 2.364 191 HB3 GLN 24 HB1 GLN 24 -8.466 -21.055 3.889 192 HG2 GLN 24 HG2 GLN 24 -9.537 -19.050 2.803 193 HG3 GLN 24 HG1 GLN 24 -9.972 -20.116 1.473 194 HE21 GLN 24 1HE2 GLN 24 -12.138 -19.810 1.835 195 HE22 GLN 24 2HE2 GLN 24 -12.960 -20.515 3.176 196 H ARG 25 H ARG 25 -5.808 -20.123 4.400 197 HA ARG 25 HA ARG 25 -6.649 -17.623 5.328 198 HB2 ARG 25 HB2 ARG 25 -4.042 -19.047 5.792 199 HB3 ARG 25 HB1 ARG 25 -4.672 -17.723 6.753 200 HG2 ARG 25 HG2 ARG 25 -5.916 -20.430 6.458 201 HG3 ARG 25 HG1 ARG 25 -4.948 -19.905 7.821 202 HD2 ARG 25 HD2 ARG 25 -7.128 -19.600 8.594 203 HD3 ARG 25 HD1 ARG 25 -6.751 -17.997 7.967 204 HE ARG 25 HE ARG 25 -8.268 -20.039 6.502 205 HH11 ARG 25 HH11 ARG 25 -7.775 -16.625 7.328 206 HH12 ARG 25 HH12 ARG 25 -9.152 -16.084 6.505 207 HH21 ARG 25 HH21 ARG 25 -10.175 -19.266 5.347 208 HH22 ARG 25 HH22 ARG 25 -10.524 -17.600 5.309 209 H LEU 26 H LEU 26 -3.978 -18.661 3.307 210 HA LEU 26 HA LEU 26 -2.847 -16.091 3.013 211 HB2 LEU 26 HB2 LEU 26 -1.457 -17.900 2.497 212 HB3 LEU 26 HB1 LEU 26 -2.605 -18.604 1.368 213 HG LEU 26 HG LEU 26 -2.125 -16.836 -0.247 214 HD11 LEU 26 HD11 LEU 26 -1.762 -14.983 1.202 215 HD12 LEU 26 HD12 LEU 26 -0.296 -15.206 0.229 216 HD13 LEU 26 HD13 LEU 26 -0.355 -15.750 1.910 217 HD21 LEU 26 HD21 LEU 26 -0.679 -18.779 -0.288 218 HD22 LEU 26 HD22 LEU 26 0.383 -18.030 0.908 219 HD23 LEU 26 HD23 LEU 26 0.240 -17.327 -0.695 220 H GLN 27 H GLN 27 -5.164 -17.947 1.129 221 HA GLN 27 HA GLN 27 -5.511 -16.216 -0.996 222 HB2 GLN 27 HB2 GLN 27 -7.577 -17.941 0.357 223 HB3 GLN 27 HB1 GLN 27 -7.836 -17.117 -1.168 224 HG2 GLN 27 HG2 GLN 27 -5.912 -18.403 -2.103 225 HG3 GLN 27 HG1 GLN 27 -5.872 -19.312 -0.593 226 HE21 GLN 27 1HE2 GLN 27 -7.716 -18.586 -3.422 227 HE22 GLN 27 2HE2 GLN 27 -8.794 -19.933 -3.331 228 H GLU 28 H GLU 28 -7.355 -16.243 2.046 229 HA GLU 28 HA GLU 28 -8.714 -13.877 1.332 230 HB2 GLU 28 HB2 GLU 28 -8.441 -15.195 4.018 231 HB3 GLU 28 HB1 GLU 28 -9.357 -13.716 3.771 232 HG2 GLU 28 HG2 GLU 28 -10.620 -15.033 1.976 233 HG3 GLU 28 HG1 GLU 28 -9.901 -16.460 2.723 234 H CYS 29 H CYS 29 -5.807 -14.391 3.265 235 HA CYS 29 HA CYS 29 -5.580 -11.780 4.224 236 HB2 CYS 29 HB2 CYS 29 -4.195 -13.734 4.976 237 HB3 CYS 29 HB1 CYS 29 -3.287 -13.606 3.483 238 H GLN 30 H GLN 30 -4.168 -13.223 1.274 239 HA GLN 30 HA GLN 30 -3.033 -10.780 0.406 240 HB2 GLN 30 HB2 GLN 30 -2.716 -11.833 -1.801 241 HB3 GLN 30 HB1 GLN 30 -2.188 -12.886 -0.501 242 HG2 GLN 30 HG2 GLN 30 -4.193 -14.206 -0.709 243 HG3 GLN 30 HG1 GLN 30 -4.828 -13.107 -1.926 244 HE21 GLN 30 1HE2 GLN 30 -1.458 -14.071 -1.839 245 HE22 GLN 30 2HE2 GLN 30 -1.523 -15.041 -3.251 246 H GLN 31 H GLN 31 -6.155 -12.292 -0.240 247 HA GLN 31 HA GLN 31 -7.139 -10.572 -2.194 248 HB2 GLN 31 HB2 GLN 31 -8.292 -12.614 -1.598 249 HB3 GLN 31 HB1 GLN 31 -8.557 -12.031 0.035 250 HG2 GLN 31 HG2 GLN 31 -10.014 -10.260 -0.861 251 HG3 GLN 31 HG1 GLN 31 -9.784 -10.921 -2.477 252 HE21 GLN 31 1HE2 GLN 31 -11.967 -11.305 -2.681 253 HE22 GLN 31 2HE2 GLN 31 -12.750 -12.605 -1.855 254 H ARG 32 H ARG 32 -7.255 -10.353 1.309 255 HA ARG 32 HA ARG 32 -8.768 -7.983 1.400 256 HB2 ARG 32 HB2 ARG 32 -6.981 -9.257 3.460 257 HB3 ARG 32 HB1 ARG 32 -8.040 -7.883 3.789 258 HG2 ARG 32 HG2 ARG 32 -9.969 -9.211 3.184 259 HG3 ARG 32 HG1 ARG 32 -8.928 -10.573 2.786 260 HD2 ARG 32 HD2 ARG 32 -8.190 -10.618 5.150 261 HD3 ARG 32 HD1 ARG 32 -9.358 -9.338 5.496 262 HE ARG 32 HE ARG 32 -10.304 -11.780 4.237 263 HH11 ARG 32 HH11 ARG 32 -10.137 -9.804 7.165 264 HH12 ARG 32 HH12 ARG 32 -11.430 -10.581 7.934 265 HH21 ARG 32 HH21 ARG 32 -12.059 -12.918 5.324 266 HH22 ARG 32 HH22 ARG 32 -12.576 -12.393 6.853 267 H CYS 33 H CYS 33 -5.293 -8.563 1.351 268 HA CYS 33 HA CYS 33 -4.532 -5.858 1.675 269 HB2 CYS 33 HB2 CYS 33 -3.102 -8.037 0.117 270 HB3 CYS 33 HB1 CYS 33 -2.399 -6.501 0.599 271 H GLN 34 H GLN 34 -5.442 -7.793 -1.143 272 HA GLN 34 HA GLN 34 -4.884 -5.846 -3.114 273 HB2 GLN 34 HB2 GLN 34 -6.892 -8.087 -3.152 274 HB3 GLN 34 HB1 GLN 34 -6.439 -7.135 -4.553 275 HG2 GLN 34 HG2 GLN 34 -4.152 -7.969 -4.368 276 HG3 GLN 34 HG1 GLN 34 -4.627 -8.926 -2.960 277 HE21 GLN 34 1HE2 GLN 34 -4.850 -8.588 -6.373 278 HE22 GLN 34 2HE2 GLN 34 -5.548 -10.130 -6.695 279 H GLN 35 H GLN 35 -7.741 -6.560 -1.182 280 HA GLN 35 HA GLN 35 -9.546 -4.780 -2.391 281 HB2 GLN 35 HB2 GLN 35 -9.350 -5.438 0.563 282 HB3 GLN 35 HB1 GLN 35 -10.728 -4.700 -0.221 283 HG2 GLN 35 HG2 GLN 35 -9.719 -7.516 -0.571 284 HG3 GLN 35 HG1 GLN 35 -11.201 -7.006 0.229 285 HE21 GLN 35 1HE2 GLN 35 -9.682 -7.765 -2.723 286 HE22 GLN 35 2HE2 GLN 35 -11.073 -7.575 -3.729 287 H GLU 36 H GLU 36 -7.321 -4.342 0.299 288 HA GLU 36 HA GLU 36 -7.709 -1.647 0.807 289 HB2 GLU 36 HB2 GLU 36 -5.369 -3.463 1.121 290 HB3 GLU 36 HB1 GLU 36 -5.286 -1.777 1.596 291 HG2 GLU 36 HG2 GLU 36 -7.286 -3.795 2.622 292 HG3 GLU 36 HG1 GLU 36 -5.822 -3.312 3.476 293 H TYR 37 H TYR 37 -5.454 -3.186 -1.439 294 HA TYR 37 HA TYR 37 -4.396 -0.772 -2.389 295 HB2 TYR 37 HB2 TYR 37 -3.227 -2.824 -2.875 296 HB3 TYR 37 HB1 TYR 37 -4.569 -3.420 -3.847 297 HD1 TYR 37 HD1 TYR 37 -2.347 -0.420 -3.651 298 HD2 TYR 37 HD2 TYR 37 -4.391 -3.186 -6.144 299 HE1 TYR 37 HE1 TYR 37 -1.415 0.689 -5.630 300 HE2 TYR 37 HE2 TYR 37 -3.456 -2.087 -8.135 301 HH TYR 37 HH TYR 37 -2.577 0.047 -8.755 302 H GLN 38 H GLN 38 -7.207 -2.601 -3.523 303 HA GLN 38 HA GLN 38 -7.798 -0.976 -5.751 304 HB2 GLN 38 HB2 GLN 38 -9.695 -2.477 -3.940 305 HB3 GLN 38 HB1 GLN 38 -10.165 -1.732 -5.458 306 HG2 GLN 38 HG2 GLN 38 -8.593 -3.214 -6.636 307 HG3 GLN 38 HG1 GLN 38 -8.189 -3.942 -5.082 308 HE21 GLN 38 1HE2 GLN 38 -10.673 -3.539 -7.470 309 HE22 GLN 38 2HE2 GLN 38 -11.641 -4.864 -6.961 310 H ARG 39 H ARG 39 -8.476 -0.626 -2.401 311 HA ARG 39 HA ARG 39 -10.188 1.617 -2.637 312 HB2 ARG 39 HB2 ARG 39 -8.576 0.586 -0.275 313 HB3 ARG 39 HB1 ARG 39 -9.838 1.813 -0.168 314 HG2 ARG 39 HG2 ARG 39 -11.522 0.260 -0.833 315 HG3 ARG 39 HG1 ARG 39 -10.323 -0.953 -1.254 316 HD2 ARG 39 HD2 ARG 39 -9.719 -1.129 1.147 317 HD3 ARG 39 HD1 ARG 39 -10.974 0.058 1.513 318 HE ARG 39 HE ARG 39 -12.391 -1.747 0.200 319 HH11 ARG 39 HH11 ARG 39 -10.003 -2.384 2.782 320 HH12 ARG 39 HH12 ARG 39 -10.859 -3.707 3.410 321 HH21 ARG 39 HH21 ARG 39 -13.495 -3.613 1.055 322 HH22 ARG 39 HH22 ARG 39 -12.866 -4.432 2.426 323 H GLU 40 H GLU 40 -6.716 1.280 -1.880 324 HA GLU 40 HA GLU 40 -6.418 4.166 -1.906 325 HB2 GLU 40 HB2 GLU 40 -4.442 1.998 -1.258 326 HB3 GLU 40 HB1 GLU 40 -4.080 3.719 -1.200 327 HG2 GLU 40 HG2 GLU 40 -5.846 4.023 0.463 328 HG3 GLU 40 HG1 GLU 40 -6.165 2.291 0.411 329 H LYS 41 H LYS 41 -6.512 2.092 -4.368 330 HA LYS 41 HA LYS 41 -4.305 3.235 -5.825 331 HB2 LYS 41 HB2 LYS 41 -4.984 1.911 -7.740 332 HB3 LYS 41 HB1 LYS 41 -5.149 0.906 -6.316 333 HG2 LYS 41 HG2 LYS 41 -7.009 0.361 -7.582 334 HG3 LYS 41 HG1 LYS 41 -7.652 1.531 -6.431 335 HD2 LYS 41 HD2 LYS 41 -7.504 3.290 -8.123 336 HD3 LYS 41 HD1 LYS 41 -6.794 2.151 -9.262 337 HE2 LYS 41 HE2 LYS 41 -8.858 0.821 -9.184 338 HE3 LYS 41 HE1 LYS 41 -9.561 1.997 -8.076 339 HZ1 LYS 41 HZ1 LYS 41 -8.629 2.592 -10.824 340 HZ2 LYS 41 HZ2 LYS 41 -9.380 3.678 -9.801 341 HZ3 LYS 41 HZ3 LYS 41 -10.235 2.336 -10.399 342 H GLY 42 H GLY 42 -7.437 3.931 -5.063 343 HA2 GLY 42 HA2 GLY 42 -7.877 5.916 -7.105 344 HA3 GLY 42 HA1 GLY 42 -8.902 5.619 -5.695 345 H GLN 43 H GLN 43 -8.520 8.163 -6.093 346 HA GLN 43 HA GLN 43 -6.028 9.034 -5.052 347 HB2 GLN 43 HB2 GLN 43 -6.930 11.330 -5.276 348 HB3 GLN 43 HB1 GLN 43 -6.926 10.391 -6.759 349 HG2 GLN 43 HG2 GLN 43 -9.307 9.991 -6.539 350 HG3 GLN 43 HG1 GLN 43 -9.313 10.847 -4.998 351 HE21 GLN 43 1HE2 GLN 43 -7.488 12.907 -5.919 352 HE22 GLN 43 2HE2 GLN 43 -8.398 13.899 -6.991 353 H HIS 44 H HIS 44 -5.844 8.262 -3.055 354 HA HIS 44 HA HIS 44 -7.483 9.405 -0.950 355 HB2 HIS 44 HB2 HIS 44 -5.079 7.572 -0.942 356 HB3 HIS 44 HB1 HIS 44 -5.600 8.365 0.538 357 HD1 HIS 44 HD1 HIS 44 -6.792 6.621 1.900 358 HD2 HIS 44 HD2 HIS 44 -7.744 6.408 -2.136 359 HE1 HIS 44 HE1 HIS 44 -8.537 4.839 1.692 360 H GLN 45 H GLN 45 -4.533 9.848 -2.608 361 HA GLN 45 HA GLN 45 -3.517 11.994 -1.015 362 HB2 GLN 45 HB2 GLN 45 -3.022 11.324 -3.924 363 HB3 GLN 45 HB1 GLN 45 -2.038 12.381 -2.932 364 HG2 GLN 45 HG2 GLN 45 -1.306 10.529 -1.596 365 HG3 GLN 45 HG1 GLN 45 -2.420 9.448 -2.421 366 HE21 GLN 45 1HE2 GLN 45 -1.874 10.588 -5.076 367 HE22 GLN 45 2HE2 GLN 45 -0.314 10.023 -5.507 368 H GLY 46 H GLY 46 -4.547 13.881 -0.889 369 HA2 GLY 46 HA2 GLY 46 -6.790 14.536 -2.462 370 HA3 GLY 46 HA1 GLY 46 -5.989 15.579 -1.298 371 H GLU 47 H GLU 47 -6.779 15.195 -4.444 372 HA GLU 47 HA GLU 47 -4.571 16.803 -5.466 373 HB2 GLU 47 HB2 GLU 47 -6.819 15.371 -6.911 374 HB3 GLU 47 HB1 GLU 47 -5.507 16.246 -7.681 375 HG2 GLU 47 HG2 GLU 47 -5.146 13.823 -5.939 376 HG3 GLU 47 HG1 GLU 47 -5.235 13.789 -7.699 377 H THR 48 H THR 48 -5.431 18.530 -4.167 378 HA THR 48 HA THR 48 -8.039 19.548 -4.889 379 HB THR 48 HB THR 48 -6.055 20.633 -2.881 380 HG1 THR 48 HG1 THR 48 -7.903 18.494 -2.805 381 HG21 THR 48 HG21 THR 48 -9.074 20.834 -3.091 382 HG22 THR 48 HG22 THR 48 -7.940 22.119 -3.494 383 HG23 THR 48 HG23 THR 48 -8.078 21.559 -1.826 384 H ASN 49 H ASN 49 -4.655 20.224 -5.337 385 HA ASN 49 HA ASN 49 -5.284 22.145 -7.367 386 HB2 ASN 49 HB2 ASN 49 -5.194 23.537 -5.280 387 HB3 ASN 49 HB1 ASN 49 -3.523 23.014 -5.061 388 HD21 ASN 49 HD21 ASN 49 -5.691 24.949 -6.922 389 HD22 ASN 49 HD22 ASN 49 -4.486 25.852 -7.769 Start of MODEL 12 1 H1 ARG 1 HT1 ARG 1 7.387 2.179 -14.806 2 H2 ARG 1 HT2 ARG 1 8.184 1.026 -15.726 3 H3 ARG 1 HT3 ARG 1 9.029 2.336 -15.043 4 HA ARG 1 HA ARG 1 7.619 0.286 -13.490 5 HB2 ARG 1 HB2 ARG 1 10.584 0.687 -13.976 6 HB3 ARG 1 HB1 ARG 1 9.937 -0.350 -12.721 7 HG2 ARG 1 HG2 ARG 1 9.485 -0.713 -15.679 8 HG3 ARG 1 HG1 ARG 1 10.658 -1.599 -14.710 9 HD2 ARG 1 HD2 ARG 1 8.778 -2.457 -13.316 10 HD3 ARG 1 HD1 ARG 1 7.645 -1.664 -14.409 11 HE ARG 1 HE ARG 1 9.439 -3.320 -15.812 12 HH11 ARG 1 HH11 ARG 1 6.479 -3.504 -13.835 13 HH12 ARG 1 HH12 ARG 1 6.000 -5.021 -14.436 14 HH21 ARG 1 HH21 ARG 1 8.751 -5.402 -16.666 15 HH22 ARG 1 HH22 ARG 1 7.321 -6.121 -16.080 16 H GLY 2 H GLY 2 8.960 0.458 -11.203 17 HA2 GLY 2 HA2 GLY 2 9.704 1.981 -9.542 18 HA3 GLY 2 HA1 GLY 2 8.987 3.293 -10.478 19 HA PRO 3 HA PRO 3 5.495 0.707 -8.279 20 HB2 PRO 3 HB2 PRO 3 6.141 -0.008 -5.752 21 HB3 PRO 3 HB1 PRO 3 6.441 -1.064 -7.139 22 HG2 PRO 3 HG2 PRO 3 8.285 0.836 -5.777 23 HG3 PRO 3 HG1 PRO 3 8.586 -0.873 -6.186 24 HD2 PRO 3 HD2 PRO 3 9.534 1.088 -7.726 25 HD3 PRO 3 HD1 PRO 3 8.848 -0.376 -8.469 26 H ASP 4 H ASP 4 4.018 1.877 -7.361 27 HA ASP 4 HA ASP 4 4.742 4.442 -6.287 28 HB2 ASP 4 HB2 ASP 4 2.815 4.080 -7.875 29 HB3 ASP 4 HB1 ASP 4 1.959 3.278 -6.568 30 H LYS 5 H LYS 5 3.134 5.100 -4.284 31 HA LYS 5 HA LYS 5 4.543 3.931 -2.136 32 HB2 LYS 5 HB2 LYS 5 2.225 5.845 -2.156 33 HB3 LYS 5 HB1 LYS 5 3.137 5.417 -0.717 34 HG2 LYS 5 HG2 LYS 5 5.167 6.341 -1.733 35 HG3 LYS 5 HG1 LYS 5 4.238 6.774 -3.171 36 HD2 LYS 5 HD2 LYS 5 2.824 8.216 -1.844 37 HD3 LYS 5 HD1 LYS 5 3.706 7.784 -0.377 38 HE2 LYS 5 HE2 LYS 5 4.801 9.239 -2.790 39 HE3 LYS 5 HE1 LYS 5 4.383 9.962 -1.243 40 HZ1 LYS 5 HZ1 LYS 5 6.712 9.644 -1.389 41 HZ2 LYS 5 HZ2 LYS 5 6.582 8.029 -1.764 42 HZ3 LYS 5 HZ3 LYS 5 6.142 8.590 -0.213 43 H SER 6 H SER 6 1.006 3.841 -2.820 44 HA SER 6 HA SER 6 0.553 2.051 -0.677 45 HB2 SER 6 HB2 SER 6 -1.249 2.522 -3.065 46 HB3 SER 6 HB1 SER 6 -1.684 1.905 -1.481 47 HG SER 6 HG SER 6 -2.130 4.112 -1.948 48 H TYR 7 H TYR 7 1.290 1.714 -4.039 49 HA TYR 7 HA TYR 7 0.626 -1.020 -4.302 50 HB2 TYR 7 HB2 TYR 7 1.001 0.534 -6.231 51 HB3 TYR 7 HB1 TYR 7 2.725 0.492 -5.869 52 HD1 TYR 7 HD1 TYR 7 -0.151 -1.665 -6.746 53 HD2 TYR 7 HD2 TYR 7 4.066 -1.223 -6.728 54 HE1 TYR 7 HE1 TYR 7 0.052 -3.715 -8.070 55 HE2 TYR 7 HE2 TYR 7 4.289 -3.273 -8.060 56 HH TYR 7 HH TYR 7 3.044 -5.276 -8.514 57 H LYS 8 H LYS 8 3.575 0.610 -3.304 58 HA LYS 8 HA LYS 8 5.234 -1.625 -3.110 59 HB2 LYS 8 HB2 LYS 8 6.080 0.635 -2.979 60 HB3 LYS 8 HB1 LYS 8 5.123 0.929 -1.537 61 HG2 LYS 8 HG2 LYS 8 6.501 -0.719 -0.317 62 HG3 LYS 8 HG1 LYS 8 7.485 -0.935 -1.765 63 HD2 LYS 8 HD2 LYS 8 8.568 0.619 -0.228 64 HD3 LYS 8 HD1 LYS 8 8.075 1.439 -1.710 65 HE2 LYS 8 HE2 LYS 8 6.074 2.312 -0.556 66 HE3 LYS 8 HE1 LYS 8 6.581 1.506 0.924 67 HZ1 LYS 8 HZ1 LYS 8 7.149 3.846 0.880 68 HZ2 LYS 8 HZ2 LYS 8 8.074 3.612 -0.509 69 HZ3 LYS 8 HZ3 LYS 8 8.541 2.890 0.944 70 H ARG 9 H ARG 9 3.072 -0.079 -0.774 71 HA ARG 9 HA ARG 9 3.625 -1.855 1.364 72 HB2 ARG 9 HB2 ARG 9 1.248 -0.046 0.900 73 HB3 ARG 9 HB1 ARG 9 1.597 -0.871 2.414 74 HG2 ARG 9 HG2 ARG 9 3.356 1.196 1.095 75 HG3 ARG 9 HG1 ARG 9 2.286 1.482 2.466 76 HD2 ARG 9 HD2 ARG 9 4.651 -0.405 2.422 77 HD3 ARG 9 HD1 ARG 9 4.603 1.179 3.190 78 HE ARG 9 HE ARG 9 2.559 0.002 4.356 79 HH11 ARG 9 HH11 ARG 9 5.883 -1.187 3.889 80 HH12 ARG 9 HH12 ARG 9 5.892 -2.174 5.265 81 HH21 ARG 9 HH21 ARG 9 2.561 -1.362 6.270 82 HH22 ARG 9 HH22 ARG 9 3.937 -2.261 6.669 83 H LEU 10 H LEU 10 1.343 -1.909 -1.250 84 HA LEU 10 HA LEU 10 -0.281 -4.036 -0.424 85 HB2 LEU 10 HB2 LEU 10 -0.916 -2.562 -2.229 86 HB3 LEU 10 HB1 LEU 10 0.504 -2.980 -3.138 87 HG LEU 10 HG LEU 10 -1.782 -3.838 -3.913 88 HD11 LEU 10 HD11 LEU 10 -0.912 -5.906 -4.753 89 HD12 LEU 10 HD12 LEU 10 0.487 -5.767 -3.677 90 HD13 LEU 10 HD13 LEU 10 0.224 -4.568 -4.960 91 HD21 LEU 10 HD21 LEU 10 -2.607 -4.727 -1.823 92 HD22 LEU 10 HD22 LEU 10 -1.246 -5.844 -1.742 93 HD23 LEU 10 HD23 LEU 10 -2.452 -6.024 -3.011 94 H GLN 11 H GLN 11 2.624 -3.989 -2.406 95 HA GLN 11 HA GLN 11 3.010 -6.723 -2.830 96 HB2 GLN 11 HB2 GLN 11 5.194 -4.721 -2.215 97 HB3 GLN 11 HB1 GLN 11 5.396 -6.255 -3.044 98 HG2 GLN 11 HG2 GLN 11 4.077 -5.441 -4.903 99 HG3 GLN 11 HG1 GLN 11 3.802 -3.922 -4.057 100 HE21 GLN 11 1HE2 GLN 11 4.778 -2.666 -5.527 101 HE22 GLN 11 2HE2 GLN 11 6.487 -2.685 -5.838 102 H GLU 12 H GLU 12 4.273 -4.695 -0.220 103 HA GLU 12 HA GLU 12 5.500 -6.590 1.359 104 HB2 GLU 12 HB2 GLU 12 4.018 -4.098 2.174 105 HB3 GLU 12 HB1 GLU 12 5.026 -5.036 3.262 106 HG2 GLU 12 HG2 GLU 12 5.969 -3.720 0.730 107 HG3 GLU 12 HG1 GLU 12 6.165 -3.064 2.355 108 H CYS 13 H CYS 13 2.135 -5.498 1.524 109 HA CYS 13 HA CYS 13 1.333 -6.997 3.721 110 HB2 CYS 13 HB2 CYS 13 0.040 -5.145 2.589 111 HB3 CYS 13 HB1 CYS 13 -0.411 -6.305 1.352 112 H GLN 14 H GLN 14 1.101 -7.850 0.248 113 HA GLN 14 HA GLN 14 -0.014 -10.388 0.935 114 HB2 GLN 14 HB2 GLN 14 0.048 -10.943 -1.428 115 HB3 GLN 14 HB1 GLN 14 -0.676 -9.372 -1.154 116 HG2 GLN 14 HG2 GLN 14 1.332 -8.273 -1.897 117 HG3 GLN 14 HG1 GLN 14 2.151 -9.828 -2.064 118 HE21 GLN 14 1HE2 GLN 14 -0.265 -7.737 -3.345 119 HE22 GLN 14 2HE2 GLN 14 -0.444 -8.552 -4.857 120 H ARG 15 H ARG 15 3.239 -9.283 0.185 121 HA ARG 15 HA ARG 15 4.352 -11.858 -0.071 122 HB2 ARG 15 HB2 ARG 15 5.520 -9.172 0.587 123 HB3 ARG 15 HB1 ARG 15 6.512 -10.625 0.566 124 HG2 ARG 15 HG2 ARG 15 4.840 -9.728 -1.764 125 HG3 ARG 15 HG1 ARG 15 6.535 -9.291 -1.555 126 HD2 ARG 15 HD2 ARG 15 5.431 -12.108 -1.757 127 HD3 ARG 15 HD1 ARG 15 6.308 -11.246 -3.016 128 HE ARG 15 HE ARG 15 8.150 -11.118 -1.293 129 HH11 ARG 15 HH11 ARG 15 5.951 -13.926 -1.475 130 HH12 ARG 15 HH12 ARG 15 7.095 -14.999 -0.831 131 HH21 ARG 15 HH21 ARG 15 9.669 -12.623 -0.442 132 HH22 ARG 15 HH22 ARG 15 9.248 -14.260 -0.226 133 H ARG 16 H ARG 16 3.493 -9.938 2.662 134 HA ARG 16 HA ARG 16 4.748 -11.678 4.529 135 HB2 ARG 16 HB2 ARG 16 2.482 -9.726 4.864 136 HB3 ARG 16 HB1 ARG 16 3.206 -10.641 6.176 137 HG2 ARG 16 HG2 ARG 16 5.354 -9.541 5.683 138 HG3 ARG 16 HG1 ARG 16 4.527 -8.551 4.476 139 HD2 ARG 16 HD2 ARG 16 4.698 -7.351 6.587 140 HD3 ARG 16 HD1 ARG 16 3.019 -7.710 6.200 141 HE ARG 16 HE ARG 16 3.482 -9.768 7.732 142 HH11 ARG 16 HH11 ARG 16 4.726 -6.492 8.316 143 HH12 ARG 16 HH12 ARG 16 4.676 -6.663 10.009 144 HH21 ARG 16 HH21 ARG 16 3.457 -9.997 9.954 145 HH22 ARG 16 HH22 ARG 16 3.920 -8.721 10.992 146 H CYS 17 H CYS 17 1.492 -11.322 3.244 147 HA CYS 17 HA CYS 17 0.199 -13.343 4.594 148 HB2 CYS 17 HB2 CYS 17 -0.113 -12.595 1.691 149 HB3 CYS 17 HB1 CYS 17 -1.239 -13.597 2.590 150 H GLN 18 H GLN 18 2.277 -13.630 1.758 151 HA GLN 18 HA GLN 18 1.802 -16.395 1.318 152 HB2 GLN 18 HB2 GLN 18 4.133 -14.689 0.448 153 HB3 GLN 18 HB1 GLN 18 3.734 -16.278 -0.189 154 HG2 GLN 18 HG2 GLN 18 1.572 -15.384 -0.967 155 HG3 GLN 18 HG1 GLN 18 2.042 -13.808 -0.375 156 HE21 GLN 18 1HE2 GLN 18 1.426 -14.661 -3.097 157 HE22 GLN 18 2HE2 GLN 18 2.801 -14.243 -4.047 158 H SER 19 H SER 19 3.575 -14.836 3.697 159 HA SER 19 HA SER 19 5.342 -17.140 4.076 160 HB2 SER 19 HB2 SER 19 5.583 -14.362 5.247 161 HB3 SER 19 HB1 SER 19 6.805 -15.639 5.266 162 HG SER 19 HG SER 19 5.964 -13.985 3.172 163 H GLU 20 H GLU 20 3.237 -14.834 5.835 164 HA GLU 20 HA GLU 20 3.349 -16.315 8.278 165 HB2 GLU 20 HB2 GLU 20 1.624 -13.987 7.470 166 HB3 GLU 20 HB1 GLU 20 1.854 -14.592 9.103 167 HG2 GLU 20 HG2 GLU 20 4.236 -14.022 8.951 168 HG3 GLU 20 HG1 GLU 20 3.960 -13.392 7.338 169 H GLN 21 H GLN 21 1.216 -16.272 5.478 170 HA GLN 21 HA GLN 21 -0.704 -17.844 7.019 171 HB2 GLN 21 HB2 GLN 21 -1.277 -16.034 4.660 172 HB3 GLN 21 HB1 GLN 21 -2.464 -17.008 5.508 173 HG2 GLN 21 HG2 GLN 21 -0.912 -14.702 6.669 174 HG3 GLN 21 HG1 GLN 21 -2.584 -14.646 6.125 175 HE21 GLN 21 1HE2 GLN 21 -1.453 -14.082 8.697 176 HE22 GLN 21 2HE2 GLN 21 -2.176 -15.131 9.850 177 H GLN 22 H GLN 22 -1.843 -19.477 5.700 178 HA GLN 22 HA GLN 22 -0.713 -20.104 3.113 179 HB2 GLN 22 HB2 GLN 22 -0.299 -22.446 3.694 180 HB3 GLN 22 HB1 GLN 22 0.747 -21.364 4.589 181 HG2 GLN 22 HG2 GLN 22 -0.763 -21.613 6.546 182 HG3 GLN 22 HG1 GLN 22 -1.718 -22.768 5.619 183 HE21 GLN 22 1HE2 GLN 22 -0.819 -24.789 5.138 184 HE22 GLN 22 2HE2 GLN 22 0.551 -25.399 5.991 185 H GLY 23 H GLY 23 -1.910 -21.833 2.110 186 HA2 GLY 23 HA2 GLY 23 -3.876 -22.747 1.341 187 HA3 GLY 23 HA1 GLY 23 -4.328 -22.908 3.032 188 H GLN 24 H GLN 24 -6.263 -22.098 3.331 189 HA GLN 24 HA GLN 24 -7.405 -20.172 1.559 190 HB2 GLN 24 HB2 GLN 24 -8.472 -21.159 4.205 191 HB3 GLN 24 HB1 GLN 24 -9.386 -20.264 3.001 192 HG2 GLN 24 HG2 GLN 24 -8.261 -23.042 2.729 193 HG3 GLN 24 HG1 GLN 24 -9.954 -22.600 2.913 194 HE21 GLN 24 1HE2 GLN 24 -9.746 -20.343 1.018 195 HE22 GLN 24 2HE2 GLN 24 -9.612 -21.066 -0.539 196 H ARG 25 H ARG 25 -5.852 -20.114 4.662 197 HA ARG 25 HA ARG 25 -6.570 -17.563 5.558 198 HB2 ARG 25 HB2 ARG 25 -4.035 -19.148 5.885 199 HB3 ARG 25 HB1 ARG 25 -4.406 -17.687 6.786 200 HG2 ARG 25 HG2 ARG 25 -6.132 -20.136 6.826 201 HG3 ARG 25 HG1 ARG 25 -4.833 -19.854 7.982 202 HD2 ARG 25 HD2 ARG 25 -7.251 -18.104 7.504 203 HD3 ARG 25 HD1 ARG 25 -6.962 -19.129 8.910 204 HE ARG 25 HE ARG 25 -4.790 -17.456 8.767 205 HH11 ARG 25 HH11 ARG 25 -8.273 -17.009 9.100 206 HH12 ARG 25 HH12 ARG 25 -8.151 -15.601 10.040 207 HH21 ARG 25 HH21 ARG 25 -4.615 -15.541 10.041 208 HH22 ARG 25 HH22 ARG 25 -6.017 -14.709 10.548 209 H LEU 26 H LEU 26 -4.052 -18.696 3.408 210 HA LEU 26 HA LEU 26 -2.853 -16.171 2.970 211 HB2 LEU 26 HB2 LEU 26 -1.538 -18.026 2.461 212 HB3 LEU 26 HB1 LEU 26 -2.772 -18.762 1.455 213 HG LEU 26 HG LEU 26 -2.355 -17.102 -0.293 214 HD11 LEU 26 HD11 LEU 26 -1.778 -15.193 1.033 215 HD12 LEU 26 HD12 LEU 26 -0.467 -15.537 -0.095 216 HD13 LEU 26 HD13 LEU 26 -0.313 -15.983 1.611 217 HD21 LEU 26 HD21 LEU 26 -1.033 -19.136 -0.269 218 HD22 LEU 26 HD22 LEU 26 0.179 -18.337 0.737 219 HD23 LEU 26 HD23 LEU 26 -0.116 -17.773 -0.910 220 H GLN 27 H GLN 27 -5.262 -18.018 1.201 221 HA GLN 27 HA GLN 27 -5.635 -16.282 -0.947 222 HB2 GLN 27 HB2 GLN 27 -7.744 -17.987 0.397 223 HB3 GLN 27 HB1 GLN 27 -7.835 -17.329 -1.227 224 HG2 GLN 27 HG2 GLN 27 -5.797 -19.338 -0.283 225 HG3 GLN 27 HG1 GLN 27 -7.262 -19.724 -1.170 226 HE21 GLN 27 1HE2 GLN 27 -6.075 -20.651 -2.808 227 HE22 GLN 27 2HE2 GLN 27 -5.170 -19.750 -3.956 228 H GLU 28 H GLU 28 -7.288 -16.381 2.171 229 HA GLU 28 HA GLU 28 -8.958 -14.161 1.815 230 HB2 GLU 28 HB2 GLU 28 -7.761 -15.371 4.295 231 HB3 GLU 28 HB1 GLU 28 -9.003 -14.129 4.305 232 HG2 GLU 28 HG2 GLU 28 -9.284 -16.829 3.036 233 HG3 GLU 28 HG1 GLU 28 -9.871 -16.404 4.641 234 H CYS 29 H CYS 29 -5.724 -14.445 3.195 235 HA CYS 29 HA CYS 29 -5.486 -11.804 4.110 236 HB2 CYS 29 HB2 CYS 29 -4.081 -13.735 4.835 237 HB3 CYS 29 HB1 CYS 29 -3.256 -13.671 3.287 238 H GLN 30 H GLN 30 -4.130 -13.322 1.145 239 HA GLN 30 HA GLN 30 -2.949 -10.977 0.157 240 HB2 GLN 30 HB2 GLN 30 -2.853 -12.102 -2.038 241 HB3 GLN 30 HB1 GLN 30 -2.310 -13.153 -0.738 242 HG2 GLN 30 HG2 GLN 30 -4.322 -14.381 -0.775 243 HG3 GLN 30 HG1 GLN 30 -5.095 -13.231 -1.864 244 HE21 GLN 30 1HE2 GLN 30 -1.801 -14.367 -2.264 245 HE22 GLN 30 2HE2 GLN 30 -2.132 -15.292 -3.669 246 H GLN 31 H GLN 31 -6.174 -12.293 -0.307 247 HA GLN 31 HA GLN 31 -7.042 -10.557 -2.314 248 HB2 GLN 31 HB2 GLN 31 -8.256 -12.568 -1.768 249 HB3 GLN 31 HB1 GLN 31 -8.578 -11.983 -0.146 250 HG2 GLN 31 HG2 GLN 31 -10.003 -10.241 -1.029 251 HG3 GLN 31 HG1 GLN 31 -9.632 -10.739 -2.678 252 HE21 GLN 31 1HE2 GLN 31 -10.546 -12.599 -3.478 253 HE22 GLN 31 2HE2 GLN 31 -11.835 -13.436 -2.690 254 H ARG 32 H ARG 32 -7.318 -10.343 1.221 255 HA ARG 32 HA ARG 32 -8.666 -7.894 1.126 256 HB2 ARG 32 HB2 ARG 32 -7.279 -9.331 3.355 257 HB3 ARG 32 HB1 ARG 32 -8.001 -7.736 3.592 258 HG2 ARG 32 HG2 ARG 32 -10.142 -8.559 2.853 259 HG3 ARG 32 HG1 ARG 32 -9.444 -10.136 2.518 260 HD2 ARG 32 HD2 ARG 32 -9.034 -10.505 4.850 261 HD3 ARG 32 HD1 ARG 32 -9.545 -8.858 5.242 262 HE ARG 32 HE ARG 32 -11.726 -9.407 4.824 263 HH11 ARG 32 HH11 ARG 32 -9.673 -12.263 4.415 264 HH12 ARG 32 HH12 ARG 32 -11.001 -13.335 4.214 265 HH21 ARG 32 HH21 ARG 32 -13.490 -10.892 4.583 266 HH22 ARG 32 HH22 ARG 32 -13.196 -12.542 4.303 267 H CYS 33 H CYS 33 -5.244 -8.603 1.290 268 HA CYS 33 HA CYS 33 -4.387 -5.952 1.668 269 HB2 CYS 33 HB2 CYS 33 -3.064 -8.143 0.050 270 HB3 CYS 33 HB1 CYS 33 -2.286 -6.646 0.548 271 H GLN 34 H GLN 34 -5.249 -7.743 -1.269 272 HA GLN 34 HA GLN 34 -4.630 -5.668 -3.094 273 HB2 GLN 34 HB2 GLN 34 -6.505 -8.013 -3.327 274 HB3 GLN 34 HB1 GLN 34 -6.106 -6.938 -4.661 275 HG2 GLN 34 HG2 GLN 34 -3.781 -7.603 -4.525 276 HG3 GLN 34 HG1 GLN 34 -4.151 -8.633 -3.139 277 HE21 GLN 34 1HE2 GLN 34 -3.426 -10.468 -4.220 278 HE22 GLN 34 2HE2 GLN 34 -4.318 -11.204 -5.486 279 H GLN 35 H GLN 35 -7.573 -6.623 -1.427 280 HA GLN 35 HA GLN 35 -9.341 -4.795 -2.598 281 HB2 GLN 35 HB2 GLN 35 -9.363 -5.914 0.208 282 HB3 GLN 35 HB1 GLN 35 -10.707 -5.070 -0.544 283 HG2 GLN 35 HG2 GLN 35 -9.511 -7.672 -1.471 284 HG3 GLN 35 HG1 GLN 35 -11.030 -7.485 -0.604 285 HE21 GLN 35 1HE2 GLN 35 -9.400 -7.147 -3.630 286 HE22 GLN 35 2HE2 GLN 35 -10.794 -6.818 -4.575 287 H GLU 36 H GLU 36 -7.291 -4.508 0.268 288 HA GLU 36 HA GLU 36 -7.957 -1.892 0.931 289 HB2 GLU 36 HB2 GLU 36 -5.401 -3.423 1.297 290 HB3 GLU 36 HB1 GLU 36 -5.641 -1.799 1.919 291 HG2 GLU 36 HG2 GLU 36 -7.571 -2.640 3.226 292 HG3 GLU 36 HG1 GLU 36 -7.208 -4.264 2.642 293 H TYR 37 H TYR 37 -5.309 -3.082 -1.121 294 HA TYR 37 HA TYR 37 -4.309 -0.648 -1.927 295 HB2 TYR 37 HB2 TYR 37 -3.077 -2.592 -2.460 296 HB3 TYR 37 HB1 TYR 37 -4.391 -3.283 -3.399 297 HD1 TYR 37 HD1 TYR 37 -2.183 -0.269 -3.335 298 HD2 TYR 37 HD2 TYR 37 -4.327 -3.079 -5.695 299 HE1 TYR 37 HE1 TYR 37 -1.290 0.763 -5.367 300 HE2 TYR 37 HE2 TYR 37 -3.436 -2.055 -7.741 301 HH TYR 37 HH TYR 37 -2.473 -0.080 -8.519 302 H GLN 38 H GLN 38 -7.039 -2.396 -3.345 303 HA GLN 38 HA GLN 38 -7.460 -0.698 -5.549 304 HB2 GLN 38 HB2 GLN 38 -9.489 -2.269 -3.948 305 HB3 GLN 38 HB1 GLN 38 -9.831 -1.490 -5.482 306 HG2 GLN 38 HG2 GLN 38 -7.826 -3.690 -5.042 307 HG3 GLN 38 HG1 GLN 38 -9.439 -3.891 -5.723 308 HE21 GLN 38 1HE2 GLN 38 -9.843 -3.153 -7.784 309 HE22 GLN 38 2HE2 GLN 38 -8.581 -2.741 -8.892 310 H ARG 39 H ARG 39 -8.312 -0.360 -2.240 311 HA ARG 39 HA ARG 39 -10.076 1.864 -2.696 312 HB2 ARG 39 HB2 ARG 39 -8.957 0.767 -0.117 313 HB3 ARG 39 HB1 ARG 39 -10.272 1.932 -0.256 314 HG2 ARG 39 HG2 ARG 39 -11.684 0.336 -1.300 315 HG3 ARG 39 HG1 ARG 39 -10.360 -0.812 -1.470 316 HD2 ARG 39 HD2 ARG 39 -10.232 -0.870 1.037 317 HD3 ARG 39 HD1 ARG 39 -11.726 0.077 1.056 318 HE ARG 39 HE ARG 39 -12.514 -1.862 -0.473 319 HH11 ARG 39 HH11 ARG 39 -10.645 -2.154 2.534 320 HH12 ARG 39 HH12 ARG 39 -11.064 -3.784 2.777 321 HH21 ARG 39 HH21 ARG 39 -13.069 -4.040 -0.118 322 HH22 ARG 39 HH22 ARG 39 -12.510 -4.896 1.247 323 H GLU 40 H GLU 40 -6.717 1.376 -1.889 324 HA GLU 40 HA GLU 40 -6.407 4.262 -1.423 325 HB2 GLU 40 HB2 GLU 40 -4.391 3.700 -0.144 326 HB3 GLU 40 HB1 GLU 40 -5.830 2.923 0.496 327 HG2 GLU 40 HG2 GLU 40 -5.154 0.827 -0.542 328 HG3 GLU 40 HG1 GLU 40 -3.712 1.606 -1.190 329 H LYS 41 H LYS 41 -6.416 2.843 -4.015 330 HA LYS 41 HA LYS 41 -3.827 2.494 -5.069 331 HB2 LYS 41 HB2 LYS 41 -4.868 2.582 -7.239 332 HB3 LYS 41 HB1 LYS 41 -5.728 1.521 -6.114 333 HG2 LYS 41 HG2 LYS 41 -7.410 3.281 -5.783 334 HG3 LYS 41 HG1 LYS 41 -6.543 4.314 -6.921 335 HD2 LYS 41 HD2 LYS 41 -7.684 1.613 -7.559 336 HD3 LYS 41 HD1 LYS 41 -8.490 3.144 -7.927 337 HE2 LYS 41 HE2 LYS 41 -6.596 3.768 -9.371 338 HE3 LYS 41 HE1 LYS 41 -5.809 2.238 -9.003 339 HZ1 LYS 41 HZ1 LYS 41 -6.955 2.139 -11.111 340 HZ2 LYS 41 HZ2 LYS 41 -8.398 2.573 -10.391 341 HZ3 LYS 41 HZ3 LYS 41 -7.684 1.084 -10.009 342 H GLY 42 H GLY 42 -5.340 5.313 -4.306 343 HA2 GLY 42 HA2 GLY 42 -3.527 7.195 -4.686 344 HA3 GLY 42 HA1 GLY 42 -4.054 6.963 -6.359 345 H GLN 43 H GLN 43 -6.624 6.303 -5.818 346 HA GLN 43 HA GLN 43 -7.878 8.835 -5.207 347 HB2 GLN 43 HB2 GLN 43 -9.098 6.108 -5.709 348 HB3 GLN 43 HB1 GLN 43 -9.927 7.657 -5.811 349 HG2 GLN 43 HG2 GLN 43 -8.591 8.261 -7.744 350 HG3 GLN 43 HG1 GLN 43 -7.694 6.750 -7.603 351 HE21 GLN 43 1HE2 GLN 43 -10.665 8.230 -8.546 352 HE22 GLN 43 2HE2 GLN 43 -11.314 6.848 -9.347 353 H HIS 44 H HIS 44 -9.238 9.088 -3.333 354 HA HIS 44 HA HIS 44 -9.977 8.829 -1.223 355 HB2 HIS 44 HB2 HIS 44 -10.817 6.601 -1.839 356 HB3 HIS 44 HB1 HIS 44 -9.228 5.901 -1.608 357 HD1 HIS 44 HD1 HIS 44 -12.407 6.526 0.100 358 HD2 HIS 44 HD2 HIS 44 -8.478 5.749 1.201 359 HE1 HIS 44 HE1 HIS 44 -12.491 5.741 2.478 360 H GLN 45 H GLN 45 -7.053 6.889 -1.590 361 HA GLN 45 HA GLN 45 -5.875 8.453 0.596 362 HB2 GLN 45 HB2 GLN 45 -6.196 6.070 1.207 363 HB3 GLN 45 HB1 GLN 45 -5.196 5.614 -0.166 364 HG2 GLN 45 HG2 GLN 45 -3.340 6.923 0.842 365 HG3 GLN 45 HG1 GLN 45 -4.345 7.149 2.273 366 HE21 GLN 45 1HE2 GLN 45 -2.408 4.947 0.442 367 HE22 GLN 45 2HE2 GLN 45 -2.423 3.669 1.589 368 H GLY 46 H GLY 46 -5.055 9.979 -0.805 369 HA2 GLY 46 HA2 GLY 46 -2.833 9.010 -2.474 370 HA3 GLY 46 HA1 GLY 46 -3.795 10.425 -2.888 371 H GLU 47 H GLU 47 -3.302 12.351 -2.016 372 HA GLU 47 HA GLU 47 -0.741 12.623 -0.816 373 HB2 GLU 47 HB2 GLU 47 -1.253 15.069 -0.776 374 HB3 GLU 47 HB1 GLU 47 -1.455 14.324 -2.355 375 HG2 GLU 47 HG2 GLU 47 -3.874 14.233 -1.997 376 HG3 GLU 47 HG1 GLU 47 -3.662 14.987 -0.421 377 H THR 48 H THR 48 -3.592 11.937 0.467 378 HA THR 48 HA THR 48 -3.363 13.226 3.027 379 HB THR 48 HB THR 48 -5.576 12.467 2.085 380 HG1 THR 48 HG1 THR 48 -4.906 12.540 4.497 381 HG21 THR 48 HG21 THR 48 -6.215 10.107 2.242 382 HG22 THR 48 HG22 THR 48 -4.591 9.699 2.790 383 HG23 THR 48 HG23 THR 48 -4.836 10.303 1.155 384 H ASN 49 H ASN 49 -1.898 10.535 1.535 385 HA ASN 49 HA ASN 49 -1.266 9.251 4.073 386 HB2 ASN 49 HB2 ASN 49 -2.146 7.759 2.393 387 HB3 ASN 49 HB1 ASN 49 -0.963 8.308 1.215 388 HD21 ASN 49 HD21 ASN 49 -1.504 6.440 4.067 389 HD22 ASN 49 HD22 ASN 49 -0.020 5.557 4.007 Start of MODEL 13 1 H1 ARG 1 HT1 ARG 1 12.451 7.782 -3.291 2 H2 ARG 1 HT2 ARG 1 12.381 6.157 -2.761 3 H3 ARG 1 HT3 ARG 1 11.005 7.069 -2.822 4 HA ARG 1 HA ARG 1 10.984 7.176 -5.151 5 HB2 ARG 1 HB2 ARG 1 12.656 5.914 -6.482 6 HB3 ARG 1 HB1 ARG 1 13.378 7.262 -5.623 7 HG2 ARG 1 HG2 ARG 1 14.304 5.750 -3.976 8 HG3 ARG 1 HG1 ARG 1 13.490 4.382 -4.739 9 HD2 ARG 1 HD2 ARG 1 14.799 4.704 -6.761 10 HD3 ARG 1 HD1 ARG 1 15.569 6.128 -6.061 11 HE ARG 1 HE ARG 1 16.244 4.352 -4.267 12 HH11 ARG 1 HH11 ARG 1 16.247 3.872 -7.812 13 HH12 ARG 1 HH12 ARG 1 17.547 2.792 -7.772 14 HH21 ARG 1 HH21 ARG 1 18.064 2.869 -4.284 15 HH22 ARG 1 HH22 ARG 1 18.626 2.233 -5.748 16 H GLY 2 H GLY 2 9.841 5.597 -6.306 17 HA2 GLY 2 HA2 GLY 2 9.781 2.969 -6.212 18 HA3 GLY 2 HA1 GLY 2 9.039 3.368 -4.663 19 HA PRO 3 HA PRO 3 5.689 3.690 -7.866 20 HB2 PRO 3 HB2 PRO 3 4.249 1.531 -7.283 21 HB3 PRO 3 HB1 PRO 3 5.718 1.389 -8.255 22 HG2 PRO 3 HG2 PRO 3 5.290 0.759 -5.369 23 HG3 PRO 3 HG1 PRO 3 6.238 -0.121 -6.576 24 HD2 PRO 3 HD2 PRO 3 7.279 1.666 -4.713 25 HD3 PRO 3 HD1 PRO 3 8.087 1.163 -6.211 26 H ASP 4 H ASP 4 3.217 3.108 -7.191 27 HA ASP 4 HA ASP 4 2.230 5.029 -5.465 28 HB2 ASP 4 HB2 ASP 4 0.966 2.358 -6.130 29 HB3 ASP 4 HB1 ASP 4 0.131 3.683 -5.347 30 H LYS 5 H LYS 5 1.860 5.114 -3.281 31 HA LYS 5 HA LYS 5 3.082 3.351 -1.480 32 HB2 LYS 5 HB2 LYS 5 0.783 5.277 -1.053 33 HB3 LYS 5 HB1 LYS 5 1.583 4.412 0.242 34 HG2 LYS 5 HG2 LYS 5 3.673 5.525 -0.274 35 HG3 LYS 5 HG1 LYS 5 2.905 6.374 -1.620 36 HD2 LYS 5 HD2 LYS 5 1.412 7.514 -0.105 37 HD3 LYS 5 HD1 LYS 5 2.022 6.580 1.259 38 HE2 LYS 5 HE2 LYS 5 3.641 8.511 -0.408 39 HE3 LYS 5 HE1 LYS 5 2.957 8.864 1.175 40 HZ1 LYS 5 HZ1 LYS 5 4.341 7.032 2.079 41 HZ2 LYS 5 HZ2 LYS 5 5.245 8.285 1.409 42 HZ3 LYS 5 HZ3 LYS 5 5.060 6.852 0.558 43 H SER 6 H SER 6 -0.085 3.447 -2.862 44 HA SER 6 HA SER 6 -1.428 1.482 -1.378 45 HB2 SER 6 HB2 SER 6 -1.689 1.953 -4.346 46 HB3 SER 6 HB1 SER 6 -2.923 1.364 -3.238 47 HG SER 6 HG SER 6 -1.854 3.837 -2.565 48 H TYR 7 H TYR 7 0.792 1.290 -4.106 49 HA TYR 7 HA TYR 7 0.348 -1.522 -4.529 50 HB2 TYR 7 HB2 TYR 7 0.932 0.209 -6.339 51 HB3 TYR 7 HB1 TYR 7 2.571 0.130 -5.714 52 HD1 TYR 7 HD1 TYR 7 3.992 -1.711 -6.238 53 HD2 TYR 7 HD2 TYR 7 -0.110 -1.797 -7.325 54 HE1 TYR 7 HE1 TYR 7 4.403 -3.683 -7.660 55 HE2 TYR 7 HE2 TYR 7 0.278 -3.758 -8.731 56 HH TYR 7 HH TYR 7 3.179 -5.522 -8.589 57 H LYS 8 H LYS 8 2.678 0.577 -3.019 58 HA LYS 8 HA LYS 8 4.611 -1.367 -2.468 59 HB2 LYS 8 HB2 LYS 8 3.952 1.201 -1.019 60 HB3 LYS 8 HB1 LYS 8 5.346 0.197 -0.641 61 HG2 LYS 8 HG2 LYS 8 6.226 0.540 -2.895 62 HG3 LYS 8 HG1 LYS 8 4.804 1.492 -3.301 63 HD2 LYS 8 HD2 LYS 8 6.738 2.909 -2.791 64 HD3 LYS 8 HD1 LYS 8 5.415 3.168 -1.660 65 HE2 LYS 8 HE2 LYS 8 7.550 3.123 -0.512 66 HE3 LYS 8 HE1 LYS 8 6.554 1.770 -0.000 67 HZ1 LYS 8 HZ1 LYS 8 8.821 1.086 -0.336 68 HZ2 LYS 8 HZ2 LYS 8 8.852 1.691 -1.888 69 HZ3 LYS 8 HZ3 LYS 8 7.897 0.355 -1.535 70 H ARG 9 H ARG 9 1.831 -0.175 -0.623 71 HA ARG 9 HA ARG 9 2.016 -1.835 1.610 72 HB2 ARG 9 HB2 ARG 9 -0.367 -0.665 0.193 73 HB3 ARG 9 HB1 ARG 9 -0.532 -1.603 1.661 74 HG2 ARG 9 HG2 ARG 9 0.883 0.032 2.827 75 HG3 ARG 9 HG1 ARG 9 0.988 0.972 1.340 76 HD2 ARG 9 HD2 ARG 9 -0.705 1.880 2.852 77 HD3 ARG 9 HD1 ARG 9 -1.426 1.296 1.354 78 HE ARG 9 HE ARG 9 -1.700 -0.823 2.994 79 HH11 ARG 9 HH11 ARG 9 -2.458 2.602 3.521 80 HH12 ARG 9 HH12 ARG 9 -3.785 2.312 4.533 81 HH21 ARG 9 HH21 ARG 9 -3.633 -1.237 4.337 82 HH22 ARG 9 HH22 ARG 9 -4.489 0.080 4.968 83 H LEU 10 H LEU 10 0.413 -2.311 -1.484 84 HA LEU 10 HA LEU 10 -0.698 -4.803 -1.024 85 HB2 LEU 10 HB2 LEU 10 -1.254 -3.440 -2.983 86 HB3 LEU 10 HB1 LEU 10 0.369 -3.651 -3.585 87 HG LEU 10 HG LEU 10 0.006 -6.005 -3.955 88 HD11 LEU 10 HD11 LEU 10 -2.194 -7.022 -3.602 89 HD12 LEU 10 HD12 LEU 10 -2.743 -5.528 -2.822 90 HD13 LEU 10 HD13 LEU 10 -1.444 -6.474 -2.104 91 HD21 LEU 10 HD21 LEU 10 -2.231 -4.317 -5.059 92 HD22 LEU 10 HD22 LEU 10 -1.684 -5.860 -5.715 93 HD23 LEU 10 HD23 LEU 10 -0.605 -4.462 -5.727 94 H GLN 11 H GLN 11 2.453 -4.052 -2.404 95 HA GLN 11 HA GLN 11 3.292 -6.652 -2.899 96 HB2 GLN 11 HB2 GLN 11 4.928 -4.217 -2.225 97 HB3 GLN 11 HB1 GLN 11 5.613 -5.730 -2.791 98 HG2 GLN 11 HG2 GLN 11 4.393 -5.525 -4.878 99 HG3 GLN 11 HG1 GLN 11 3.649 -4.031 -4.305 100 HE21 GLN 11 1HE2 GLN 11 4.891 -2.206 -4.139 101 HE22 GLN 11 2HE2 GLN 11 6.439 -2.049 -4.911 102 H GLU 12 H GLU 12 3.917 -4.669 -0.006 103 HA GLU 12 HA GLU 12 5.329 -6.757 1.267 104 HB2 GLU 12 HB2 GLU 12 5.052 -5.463 3.343 105 HB3 GLU 12 HB1 GLU 12 5.810 -4.553 2.029 106 HG2 GLU 12 HG2 GLU 12 3.628 -3.491 1.647 107 HG3 GLU 12 HG1 GLU 12 2.994 -4.369 3.042 108 H CYS 13 H CYS 13 2.047 -5.706 1.383 109 HA CYS 13 HA CYS 13 1.110 -7.357 3.412 110 HB2 CYS 13 HB2 CYS 13 -0.225 -5.544 2.360 111 HB3 CYS 13 HB1 CYS 13 -0.454 -6.582 0.959 112 H GLN 14 H GLN 14 1.170 -8.049 -0.093 113 HA GLN 14 HA GLN 14 0.129 -10.639 0.191 114 HB2 GLN 14 HB2 GLN 14 1.880 -9.566 -2.019 115 HB3 GLN 14 HB1 GLN 14 1.039 -11.108 -2.070 116 HG2 GLN 14 HG2 GLN 14 -1.100 -9.882 -1.822 117 HG3 GLN 14 HG1 GLN 14 -0.195 -8.375 -1.937 118 HE21 GLN 14 1HE2 GLN 14 0.807 -7.863 -3.897 119 HE22 GLN 14 2HE2 GLN 14 0.285 -8.548 -5.384 120 H ARG 15 H ARG 15 3.500 -9.516 0.041 121 HA ARG 15 HA ARG 15 4.702 -12.017 0.166 122 HB2 ARG 15 HB2 ARG 15 5.617 -9.330 1.142 123 HB3 ARG 15 HB1 ARG 15 6.629 -10.762 1.222 124 HG2 ARG 15 HG2 ARG 15 5.480 -9.531 -1.266 125 HG3 ARG 15 HG1 ARG 15 7.158 -9.437 -0.734 126 HD2 ARG 15 HD2 ARG 15 5.629 -11.876 -1.661 127 HD3 ARG 15 HD1 ARG 15 7.065 -11.152 -2.378 128 HE ARG 15 HE ARG 15 8.013 -11.757 -0.009 129 HH11 ARG 15 HH11 ARG 15 6.103 -13.754 -2.209 130 HH12 ARG 15 HH12 ARG 15 6.654 -15.234 -1.560 131 HH21 ARG 15 HH21 ARG 15 8.697 -13.749 0.900 132 HH22 ARG 15 HH22 ARG 15 8.150 -15.239 0.277 133 H ARG 16 H ARG 16 3.597 -9.936 2.779 134 HA ARG 16 HA ARG 16 4.513 -11.630 4.835 135 HB2 ARG 16 HB2 ARG 16 2.352 -9.557 4.796 136 HB3 ARG 16 HB1 ARG 16 2.754 -10.481 6.235 137 HG2 ARG 16 HG2 ARG 16 5.032 -9.630 6.116 138 HG3 ARG 16 HG1 ARG 16 4.579 -8.639 4.723 139 HD2 ARG 16 HD2 ARG 16 4.509 -7.382 6.848 140 HD3 ARG 16 HD1 ARG 16 2.942 -7.466 6.037 141 HE ARG 16 HE ARG 16 3.166 -9.604 7.860 142 HH11 ARG 16 HH11 ARG 16 2.706 -6.098 7.877 143 HH12 ARG 16 HH12 ARG 16 1.848 -6.094 9.345 144 HH21 ARG 16 HH21 ARG 16 2.020 -9.623 9.751 145 HH22 ARG 16 HH22 ARG 16 1.394 -8.194 10.464 146 H CYS 17 H CYS 17 1.416 -11.354 3.267 147 HA CYS 17 HA CYS 17 0.120 -13.347 4.710 148 HB2 CYS 17 HB2 CYS 17 -0.218 -12.554 1.828 149 HB3 CYS 17 HB1 CYS 17 -1.324 -13.604 2.692 150 H GLN 18 H GLN 18 2.241 -13.606 1.902 151 HA GLN 18 HA GLN 18 1.876 -16.383 1.488 152 HB2 GLN 18 HB2 GLN 18 4.190 -14.613 0.699 153 HB3 GLN 18 HB1 GLN 18 3.932 -16.251 0.118 154 HG2 GLN 18 HG2 GLN 18 1.750 -15.490 -0.811 155 HG3 GLN 18 HG1 GLN 18 2.175 -13.873 -0.325 156 HE21 GLN 18 1HE2 GLN 18 2.986 -16.428 -2.553 157 HE22 GLN 18 2HE2 GLN 18 3.910 -15.449 -3.626 158 H SER 19 H SER 19 3.780 -14.642 3.744 159 HA SER 19 HA SER 19 5.435 -16.965 4.302 160 HB2 SER 19 HB2 SER 19 5.528 -14.187 5.482 161 HB3 SER 19 HB1 SER 19 6.752 -15.449 5.661 162 HG SER 19 HG SER 19 6.177 -13.799 3.509 163 H GLU 20 H GLU 20 3.221 -14.739 6.021 164 HA GLU 20 HA GLU 20 3.305 -16.265 8.426 165 HB2 GLU 20 HB2 GLU 20 1.450 -14.047 7.591 166 HB3 GLU 20 HB1 GLU 20 1.640 -14.681 9.216 167 HG2 GLU 20 HG2 GLU 20 3.997 -13.923 9.181 168 HG3 GLU 20 HG1 GLU 20 3.701 -13.209 7.602 169 H GLN 21 H GLN 21 1.261 -16.286 5.540 170 HA GLN 21 HA GLN 21 -0.505 -18.103 6.977 171 HB2 GLN 21 HB2 GLN 21 -1.299 -16.123 4.833 172 HB3 GLN 21 HB1 GLN 21 -2.365 -17.303 5.576 173 HG2 GLN 21 HG2 GLN 21 -1.060 -14.940 6.907 174 HG3 GLN 21 HG1 GLN 21 -2.769 -15.146 6.533 175 HE21 GLN 21 1HE2 GLN 21 -1.433 -14.659 9.077 176 HE22 GLN 21 2HE2 GLN 21 -1.908 -15.930 10.130 177 H GLN 22 H GLN 22 -1.839 -19.363 5.251 178 HA GLN 22 HA GLN 22 -0.505 -19.968 2.819 179 HB2 GLN 22 HB2 GLN 22 -0.128 -22.339 3.396 180 HB3 GLN 22 HB1 GLN 22 0.918 -21.261 4.296 181 HG2 GLN 22 HG2 GLN 22 -0.712 -21.456 6.210 182 HG3 GLN 22 HG1 GLN 22 -1.536 -22.705 5.282 183 HE21 GLN 22 1HE2 GLN 22 1.279 -21.880 7.076 184 HE22 GLN 22 2HE2 GLN 22 1.910 -23.475 7.228 185 H GLY 23 H GLY 23 -1.698 -21.715 1.766 186 HA2 GLY 23 HA2 GLY 23 -3.668 -22.478 0.883 187 HA3 GLY 23 HA1 GLY 23 -3.978 -22.949 2.541 188 H GLN 24 H GLN 24 -5.793 -22.313 3.307 189 HA GLN 24 HA GLN 24 -7.561 -20.616 1.906 190 HB2 GLN 24 HB2 GLN 24 -7.767 -21.707 4.723 191 HB3 GLN 24 HB1 GLN 24 -9.066 -20.910 3.853 192 HG2 GLN 24 HG2 GLN 24 -9.055 -22.673 2.180 193 HG3 GLN 24 HG1 GLN 24 -7.719 -23.467 3.010 194 HE21 GLN 24 1HE2 GLN 24 -11.091 -22.713 3.102 195 HE22 GLN 24 2HE2 GLN 24 -11.534 -23.843 4.322 196 H ARG 25 H ARG 25 -5.644 -20.182 4.872 197 HA ARG 25 HA ARG 25 -6.593 -17.625 5.492 198 HB2 ARG 25 HB2 ARG 25 -3.965 -18.955 6.059 199 HB3 ARG 25 HB1 ARG 25 -4.486 -17.433 6.774 200 HG2 ARG 25 HG2 ARG 25 -5.947 -20.025 7.017 201 HG3 ARG 25 HG1 ARG 25 -4.818 -19.407 8.216 202 HD2 ARG 25 HD2 ARG 25 -7.387 -18.109 7.285 203 HD3 ARG 25 HD1 ARG 25 -7.127 -18.911 8.828 204 HE ARG 25 HE ARG 25 -5.388 -17.110 9.172 205 HH11 ARG 25 HH11 ARG 25 -8.267 -16.546 7.144 206 HH12 ARG 25 HH12 ARG 25 -8.489 -14.949 7.677 207 HH21 ARG 25 HH21 ARG 25 -5.719 -14.840 9.881 208 HH22 ARG 25 HH22 ARG 25 -7.017 -13.973 9.228 209 H LEU 26 H LEU 26 -4.120 -18.730 3.295 210 HA LEU 26 HA LEU 26 -2.930 -16.199 2.927 211 HB2 LEU 26 HB2 LEU 26 -1.665 -18.052 2.254 212 HB3 LEU 26 HB1 LEU 26 -2.913 -18.633 1.154 213 HG LEU 26 HG LEU 26 -2.533 -16.648 -0.261 214 HD11 LEU 26 HD11 LEU 26 -0.359 -16.028 1.708 215 HD12 LEU 26 HD12 LEU 26 -1.781 -15.061 1.276 216 HD13 LEU 26 HD13 LEU 26 -0.498 -15.311 0.100 217 HD21 LEU 26 HD21 LEU 26 -0.035 -18.222 0.283 218 HD22 LEU 26 HD22 LEU 26 -0.400 -17.231 -1.139 219 HD23 LEU 26 HD23 LEU 26 -1.358 -18.679 -0.812 220 H GLN 27 H GLN 27 -5.265 -17.949 0.908 221 HA GLN 27 HA GLN 27 -5.598 -15.892 -0.927 222 HB2 GLN 27 HB2 GLN 27 -7.778 -16.964 -1.536 223 HB3 GLN 27 HB1 GLN 27 -6.413 -18.061 -1.529 224 HG2 GLN 27 HG2 GLN 27 -7.104 -18.911 0.637 225 HG3 GLN 27 HG1 GLN 27 -8.461 -17.792 0.648 226 HE21 GLN 27 1HE2 GLN 27 -7.141 -20.676 -0.754 227 HE22 GLN 27 2HE2 GLN 27 -8.602 -21.205 -1.495 228 H GLU 28 H GLU 28 -7.197 -16.380 2.151 229 HA GLU 28 HA GLU 28 -9.091 -14.286 1.926 230 HB2 GLU 28 HB2 GLU 28 -7.736 -15.368 4.412 231 HB3 GLU 28 HB1 GLU 28 -9.173 -14.368 4.389 232 HG2 GLU 28 HG2 GLU 28 -10.395 -16.157 3.259 233 HG3 GLU 28 HG1 GLU 28 -8.941 -17.158 3.291 234 H CYS 29 H CYS 29 -5.871 -14.436 3.376 235 HA CYS 29 HA CYS 29 -5.654 -11.813 4.317 236 HB2 CYS 29 HB2 CYS 29 -4.228 -13.758 4.989 237 HB3 CYS 29 HB1 CYS 29 -3.427 -13.665 3.434 238 H GLN 30 H GLN 30 -4.287 -13.252 1.345 239 HA GLN 30 HA GLN 30 -3.192 -10.804 0.458 240 HB2 GLN 30 HB2 GLN 30 -2.678 -11.969 -1.641 241 HB3 GLN 30 HB1 GLN 30 -2.252 -12.953 -0.250 242 HG2 GLN 30 HG2 GLN 30 -4.395 -14.136 -0.525 243 HG3 GLN 30 HG1 GLN 30 -4.639 -13.280 -2.048 244 HE21 GLN 30 1HE2 GLN 30 -1.586 -13.537 -2.470 245 HE22 GLN 30 2HE2 GLN 30 -1.425 -15.168 -2.994 246 H GLN 31 H GLN 31 -6.340 -12.213 0.064 247 HA GLN 31 HA GLN 31 -7.289 -10.650 -2.081 248 HB2 GLN 31 HB2 GLN 31 -8.516 -12.583 -1.156 249 HB3 GLN 31 HB1 GLN 31 -8.782 -11.694 0.332 250 HG2 GLN 31 HG2 GLN 31 -10.781 -11.673 -1.021 251 HG3 GLN 31 HG1 GLN 31 -10.116 -10.051 -0.894 252 HE21 GLN 31 1HE2 GLN 31 -11.208 -9.431 -2.749 253 HE22 GLN 31 2HE2 GLN 31 -10.672 -9.914 -4.318 254 H ARG 32 H ARG 32 -7.210 -10.136 1.413 255 HA ARG 32 HA ARG 32 -8.512 -7.644 1.430 256 HB2 ARG 32 HB2 ARG 32 -6.557 -8.872 3.350 257 HB3 ARG 32 HB1 ARG 32 -7.286 -7.300 3.618 258 HG2 ARG 32 HG2 ARG 32 -9.497 -8.338 3.607 259 HG3 ARG 32 HG1 ARG 32 -8.733 -9.919 3.375 260 HD2 ARG 32 HD2 ARG 32 -8.154 -8.072 5.679 261 HD3 ARG 32 HD1 ARG 32 -9.313 -9.395 5.743 262 HE ARG 32 HE ARG 32 -7.510 -10.910 5.351 263 HH11 ARG 32 HH11 ARG 32 -6.443 -7.640 6.241 264 HH12 ARG 32 HH12 ARG 32 -5.041 -8.200 7.022 265 HH21 ARG 32 HH21 ARG 32 -5.577 -11.627 6.487 266 HH22 ARG 32 HH22 ARG 32 -4.543 -10.466 7.166 267 H CYS 33 H CYS 33 -5.153 -8.541 1.002 268 HA CYS 33 HA CYS 33 -3.969 -6.027 1.136 269 HB2 CYS 33 HB2 CYS 33 -3.218 -8.268 -0.747 270 HB3 CYS 33 HB1 CYS 33 -2.174 -6.965 -0.193 271 H GLN 34 H GLN 34 -5.498 -7.727 -1.550 272 HA GLN 34 HA GLN 34 -5.001 -5.805 -3.562 273 HB2 GLN 34 HB2 GLN 34 -7.255 -7.800 -3.335 274 HB3 GLN 34 HB1 GLN 34 -6.820 -6.926 -4.790 275 HG2 GLN 34 HG2 GLN 34 -4.638 -8.065 -4.790 276 HG3 GLN 34 HG1 GLN 34 -5.120 -8.948 -3.341 277 HE21 GLN 34 1HE2 GLN 34 -5.564 -8.606 -6.753 278 HE22 GLN 34 2HE2 GLN 34 -6.453 -10.068 -6.976 279 H GLN 35 H GLN 35 -7.580 -6.288 -1.244 280 HA GLN 35 HA GLN 35 -9.291 -4.321 -2.337 281 HB2 GLN 35 HB2 GLN 35 -9.261 -5.341 0.506 282 HB3 GLN 35 HB1 GLN 35 -10.558 -4.413 -0.226 283 HG2 GLN 35 HG2 GLN 35 -9.736 -7.253 -0.755 284 HG3 GLN 35 HG1 GLN 35 -11.298 -6.636 -0.225 285 HE21 GLN 35 1HE2 GLN 35 -9.260 -7.317 -2.853 286 HE22 GLN 35 2HE2 GLN 35 -10.360 -6.934 -4.130 287 H GLU 36 H GLU 36 -6.872 -4.221 0.246 288 HA GLU 36 HA GLU 36 -7.149 -1.583 1.112 289 HB2 GLU 36 HB2 GLU 36 -4.648 -3.213 0.728 290 HB3 GLU 36 HB1 GLU 36 -4.677 -1.670 1.552 291 HG2 GLU 36 HG2 GLU 36 -6.135 -2.653 3.271 292 HG3 GLU 36 HG1 GLU 36 -6.068 -4.202 2.417 293 H TYR 37 H TYR 37 -5.212 -2.932 -1.459 294 HA TYR 37 HA TYR 37 -3.895 -0.739 -2.444 295 HB2 TYR 37 HB2 TYR 37 -3.364 -2.943 -3.222 296 HB3 TYR 37 HB1 TYR 37 -4.974 -3.158 -3.889 297 HD1 TYR 37 HD1 TYR 37 -5.298 -2.794 -6.163 298 HD2 TYR 37 HD2 TYR 37 -1.992 -0.961 -4.233 299 HE1 TYR 37 HE1 TYR 37 -4.513 -1.947 -8.331 300 HE2 TYR 37 HE2 TYR 37 -1.196 -0.113 -6.368 301 HH TYR 37 HH TYR 37 -1.408 -0.621 -8.769 302 H GLN 38 H GLN 38 -7.048 -1.919 -3.507 303 HA GLN 38 HA GLN 38 -7.501 0.045 -5.487 304 HB2 GLN 38 HB2 GLN 38 -9.597 -1.424 -3.893 305 HB3 GLN 38 HB1 GLN 38 -9.809 -0.676 -5.467 306 HG2 GLN 38 HG2 GLN 38 -8.198 -2.297 -6.411 307 HG3 GLN 38 HG1 GLN 38 -8.098 -3.061 -4.830 308 HE21 GLN 38 1HE2 GLN 38 -10.036 -2.554 -7.621 309 HE22 GLN 38 2HE2 GLN 38 -11.253 -3.719 -7.262 310 H ARG 39 H ARG 39 -8.254 -0.091 -2.091 311 HA ARG 39 HA ARG 39 -9.884 2.251 -2.060 312 HB2 ARG 39 HB2 ARG 39 -8.604 0.688 0.182 313 HB3 ARG 39 HB1 ARG 39 -9.755 1.998 0.420 314 HG2 ARG 39 HG2 ARG 39 -11.484 0.744 -0.695 315 HG3 ARG 39 HG1 ARG 39 -10.338 -0.526 -1.118 316 HD2 ARG 39 HD2 ARG 39 -10.001 -0.976 1.282 317 HD3 ARG 39 HD1 ARG 39 -11.213 0.246 1.667 318 HE ARG 39 HE ARG 39 -12.701 -1.220 0.192 319 HH11 ARG 39 HH11 ARG 39 -10.185 -2.496 2.351 320 HH12 ARG 39 HH12 ARG 39 -10.973 -3.962 2.651 321 HH21 ARG 39 HH21 ARG 39 -13.812 -3.312 0.655 322 HH22 ARG 39 HH22 ARG 39 -13.059 -4.435 1.680 323 H GLU 40 H GLU 40 -6.511 1.562 -1.391 324 HA GLU 40 HA GLU 40 -6.018 4.177 -0.413 325 HB2 GLU 40 HB2 GLU 40 -4.164 1.935 -1.124 326 HB3 GLU 40 HB1 GLU 40 -3.585 3.508 -0.587 327 HG2 GLU 40 HG2 GLU 40 -5.368 1.636 0.942 328 HG3 GLU 40 HG1 GLU 40 -3.672 1.991 1.276 329 H LYS 41 H LYS 41 -5.857 2.718 -3.566 330 HA LYS 41 HA LYS 41 -4.419 4.700 -4.876 331 HB2 LYS 41 HB2 LYS 41 -6.702 2.965 -5.766 332 HB3 LYS 41 HB1 LYS 41 -5.989 4.145 -6.848 333 HG2 LYS 41 HG2 LYS 41 -4.486 1.881 -5.530 334 HG3 LYS 41 HG1 LYS 41 -5.139 1.833 -7.164 335 HD2 LYS 41 HD2 LYS 41 -2.975 3.695 -6.129 336 HD3 LYS 41 HD1 LYS 41 -2.766 2.357 -7.256 337 HE2 LYS 41 HE2 LYS 41 -4.340 3.542 -8.812 338 HE3 LYS 41 HE1 LYS 41 -4.293 4.913 -7.715 339 HZ1 LYS 41 HZ1 LYS 41 -2.742 5.330 -9.433 340 HZ2 LYS 41 HZ2 LYS 41 -2.088 3.807 -9.330 341 HZ3 LYS 41 HZ3 LYS 41 -1.773 4.918 -8.105 342 H GLY 42 H GLY 42 -7.891 4.526 -4.208 343 HA2 GLY 42 HA2 GLY 42 -9.368 6.214 -3.704 344 HA3 GLY 42 HA1 GLY 42 -8.018 7.335 -3.713 345 H GLN 43 H GLN 43 -7.170 7.753 -5.951 346 HA GLN 43 HA GLN 43 -9.425 8.668 -7.555 347 HB2 GLN 43 HB2 GLN 43 -6.477 9.256 -7.878 348 HB3 GLN 43 HB1 GLN 43 -7.768 10.025 -8.758 349 HG2 GLN 43 HG2 GLN 43 -7.124 11.584 -7.147 350 HG3 GLN 43 HG1 GLN 43 -8.601 10.860 -6.519 351 HE21 GLN 43 1HE2 GLN 43 -5.492 9.270 -6.430 352 HE22 GLN 43 2HE2 GLN 43 -5.336 9.334 -4.714 353 H HIS 44 H HIS 44 -9.587 8.193 -9.766 354 HA HIS 44 HA HIS 44 -8.199 5.753 -10.556 355 HB2 HIS 44 HB2 HIS 44 -9.805 5.680 -12.465 356 HB3 HIS 44 HB1 HIS 44 -10.613 5.718 -10.909 357 HD1 HIS 44 HD1 HIS 44 -12.076 7.826 -10.400 358 HD2 HIS 44 HD2 HIS 44 -10.185 7.894 -14.093 359 HE1 HIS 44 HE1 HIS 44 -13.160 9.687 -11.703 360 H GLN 45 H GLN 45 -7.893 8.999 -10.839 361 HA GLN 45 HA GLN 45 -6.655 9.112 -13.432 362 HB2 GLN 45 HB2 GLN 45 -6.887 11.115 -11.202 363 HB3 GLN 45 HB1 GLN 45 -6.138 11.443 -12.757 364 HG2 GLN 45 HG2 GLN 45 -8.237 11.041 -13.884 365 HG3 GLN 45 HG1 GLN 45 -9.002 10.622 -12.355 366 HE21 GLN 45 1HE2 GLN 45 -6.686 13.242 -12.707 367 HE22 GLN 45 2HE2 GLN 45 -7.833 14.499 -12.426 368 H GLY 46 H GLY 46 -4.478 9.534 -13.806 369 HA2 GLY 46 HA2 GLY 46 -2.744 8.279 -11.862 370 HA3 GLY 46 HA1 GLY 46 -2.354 8.666 -13.530 371 H GLU 47 H GLU 47 -2.687 9.939 -10.311 372 HA GLU 47 HA GLU 47 -1.621 11.491 -9.145 373 HB2 GLU 47 HB2 GLU 47 0.359 11.424 -11.389 374 HB3 GLU 47 HB1 GLU 47 0.641 12.244 -9.848 375 HG2 GLU 47 HG2 GLU 47 0.301 10.039 -8.730 376 HG3 GLU 47 HG1 GLU 47 0.232 9.301 -10.327 377 H THR 48 H THR 48 -3.255 12.290 -11.706 378 HA THR 48 HA THR 48 -2.622 15.098 -11.809 379 HB THR 48 HB THR 48 -4.806 15.064 -13.221 380 HG1 THR 48 HG1 THR 48 -4.853 12.694 -14.049 381 HG21 THR 48 HG21 THR 48 -3.598 14.186 -15.173 382 HG22 THR 48 HG22 THR 48 -2.412 13.442 -14.104 383 HG23 THR 48 HG23 THR 48 -2.536 15.199 -14.192 384 H ASN 49 H ASN 49 -4.381 13.031 -9.868 385 HA ASN 49 HA ASN 49 -5.706 15.155 -8.478 386 HB2 ASN 49 HB2 ASN 49 -7.421 14.245 -10.047 387 HB3 ASN 49 HB1 ASN 49 -7.070 12.624 -9.479 388 HD21 ASN 49 HD21 ASN 49 -7.247 15.367 -7.292 389 HD22 ASN 49 HD22 ASN 49 -8.703 14.886 -6.529 Start of MODEL 14 1 H1 ARG 1 HT1 ARG 1 8.031 5.605 -14.060 2 H2 ARG 1 HT2 ARG 1 6.800 6.694 -14.386 3 H3 ARG 1 HT3 ARG 1 6.633 5.048 -14.789 4 HA ARG 1 HA ARG 1 6.924 6.057 -12.043 5 HB2 ARG 1 HB2 ARG 1 4.491 5.044 -13.539 6 HB3 ARG 1 HB1 ARG 1 4.571 5.138 -11.791 7 HG2 ARG 1 HG2 ARG 1 4.844 7.494 -13.655 8 HG3 ARG 1 HG1 ARG 1 3.365 7.022 -12.822 9 HD2 ARG 1 HD2 ARG 1 5.957 7.784 -11.458 10 HD3 ARG 1 HD1 ARG 1 4.558 8.836 -11.647 11 HE ARG 1 HE ARG 1 3.417 6.829 -10.390 12 HH11 ARG 1 HH11 ARG 1 6.565 8.306 -9.668 13 HH12 ARG 1 HH12 ARG 1 6.471 7.995 -8.007 14 HH21 ARG 1 HH21 ARG 1 3.310 6.374 -8.095 15 HH22 ARG 1 HH22 ARG 1 4.599 6.847 -7.093 16 H GLY 2 H GLY 2 7.884 4.594 -10.831 17 HA2 GLY 2 HA2 GLY 2 7.996 1.828 -11.679 18 HA3 GLY 2 HA1 GLY 2 8.761 2.528 -10.250 19 HA PRO 3 HA PRO 3 5.096 0.034 -8.718 20 HB2 PRO 3 HB2 PRO 3 7.050 -0.004 -6.467 21 HB3 PRO 3 HB1 PRO 3 5.979 -1.293 -7.041 22 HG2 PRO 3 HG2 PRO 3 8.491 -1.473 -7.686 23 HG3 PRO 3 HG1 PRO 3 7.219 -1.658 -8.933 24 HD2 PRO 3 HD2 PRO 3 8.902 0.771 -8.370 25 HD3 PRO 3 HD1 PRO 3 8.596 -0.026 -9.932 26 H ASP 4 H ASP 4 3.636 1.243 -8.049 27 HA ASP 4 HA ASP 4 4.053 3.815 -6.842 28 HB2 ASP 4 HB2 ASP 4 2.088 3.305 -8.342 29 HB3 ASP 4 HB1 ASP 4 1.458 2.304 -7.027 30 H LYS 5 H LYS 5 2.887 4.408 -4.892 31 HA LYS 5 HA LYS 5 3.992 3.200 -2.618 32 HB2 LYS 5 HB2 LYS 5 1.592 5.017 -2.802 33 HB3 LYS 5 HB1 LYS 5 2.526 4.701 -1.350 34 HG2 LYS 5 HG2 LYS 5 4.453 5.789 -2.287 35 HG3 LYS 5 HG1 LYS 5 3.631 5.973 -3.837 36 HD2 LYS 5 HD2 LYS 5 1.983 7.436 -2.794 37 HD3 LYS 5 HD1 LYS 5 2.780 7.227 -1.234 38 HE2 LYS 5 HE2 LYS 5 4.771 8.291 -2.048 39 HE3 LYS 5 HE1 LYS 5 4.116 8.361 -3.683 40 HZ1 LYS 5 HZ1 LYS 5 2.984 9.798 -1.333 41 HZ2 LYS 5 HZ2 LYS 5 2.424 9.869 -2.913 42 HZ3 LYS 5 HZ3 LYS 5 3.926 10.486 -2.550 43 H SER 6 H SER 6 0.630 3.191 -3.788 44 HA SER 6 HA SER 6 -0.395 1.500 -1.774 45 HB2 SER 6 HB2 SER 6 -1.435 1.839 -4.572 46 HB3 SER 6 HB1 SER 6 -2.348 1.438 -3.121 47 HG SER 6 HG SER 6 -1.456 3.574 -2.340 48 H TYR 7 H TYR 7 1.181 0.941 -4.827 49 HA TYR 7 HA TYR 7 0.320 -1.783 -5.041 50 HB2 TYR 7 HB2 TYR 7 0.822 -0.341 -7.037 51 HB3 TYR 7 HB1 TYR 7 2.525 -0.432 -6.594 52 HD1 TYR 7 HD1 TYR 7 3.828 -2.213 -7.374 53 HD2 TYR 7 HD2 TYR 7 -0.400 -2.559 -7.344 54 HE1 TYR 7 HE1 TYR 7 3.994 -4.377 -8.555 55 HE2 TYR 7 HE2 TYR 7 -0.257 -4.694 -8.499 56 HH TYR 7 HH TYR 7 2.661 -6.372 -8.807 57 H LYS 8 H LYS 8 3.202 -0.064 -3.996 58 HA LYS 8 HA LYS 8 4.737 -2.367 -3.635 59 HB2 LYS 8 HB2 LYS 8 5.649 -0.037 -3.706 60 HB3 LYS 8 HB1 LYS 8 4.953 0.228 -2.112 61 HG2 LYS 8 HG2 LYS 8 6.385 -1.491 -1.165 62 HG3 LYS 8 HG1 LYS 8 7.042 -1.853 -2.759 63 HD2 LYS 8 HD2 LYS 8 8.615 -0.458 -1.593 64 HD3 LYS 8 HD1 LYS 8 7.861 0.488 -2.880 65 HE2 LYS 8 HE2 LYS 8 7.999 1.833 -0.892 66 HE3 LYS 8 HE1 LYS 8 6.313 1.449 -1.217 67 HZ1 LYS 8 HZ1 LYS 8 6.732 1.202 1.082 68 HZ2 LYS 8 HZ2 LYS 8 8.079 0.256 0.827 69 HZ3 LYS 8 HZ3 LYS 8 6.554 -0.387 0.509 70 H ARG 9 H ARG 9 2.544 -0.536 -1.544 71 HA ARG 9 HA ARG 9 2.831 -2.054 0.787 72 HB2 ARG 9 HB2 ARG 9 0.288 -0.823 -0.268 73 HB3 ARG 9 HB1 ARG 9 0.529 -1.387 1.374 74 HG2 ARG 9 HG2 ARG 9 2.379 0.346 1.514 75 HG3 ARG 9 HG1 ARG 9 1.727 0.990 0.004 76 HD2 ARG 9 HD2 ARG 9 0.719 2.195 1.799 77 HD3 ARG 9 HD1 ARG 9 -0.504 1.111 1.129 78 HE ARG 9 HE ARG 9 1.064 0.419 3.501 79 HH11 ARG 9 HH11 ARG 9 -2.118 0.674 1.917 80 HH12 ARG 9 HH12 ARG 9 -2.977 0.194 3.284 81 HH21 ARG 9 HH21 ARG 9 -0.127 -0.287 5.352 82 HH22 ARG 9 HH22 ARG 9 -1.829 -0.398 5.279 83 H LEU 10 H LEU 10 0.714 -2.519 -2.007 84 HA LEU 10 HA LEU 10 -0.585 -4.823 -1.166 85 HB2 LEU 10 HB2 LEU 10 -1.373 -3.692 -3.134 86 HB3 LEU 10 HB1 LEU 10 0.170 -3.901 -3.926 87 HG LEU 10 HG LEU 10 -0.188 -6.274 -4.165 88 HD11 LEU 10 HD11 LEU 10 -1.345 -6.786 -2.167 89 HD12 LEU 10 HD12 LEU 10 -2.333 -7.316 -3.528 90 HD13 LEU 10 HD13 LEU 10 -2.751 -5.837 -2.649 91 HD21 LEU 10 HD21 LEU 10 -2.101 -6.253 -5.690 92 HD22 LEU 10 HD22 LEU 10 -1.073 -4.836 -5.908 93 HD23 LEU 10 HD23 LEU 10 -2.601 -4.693 -5.037 94 H GLN 11 H GLN 11 2.379 -4.538 -3.069 95 HA GLN 11 HA GLN 11 2.958 -7.244 -3.388 96 HB2 GLN 11 HB2 GLN 11 4.859 -4.917 -3.075 97 HB3 GLN 11 HB1 GLN 11 5.345 -6.526 -3.582 98 HG2 GLN 11 HG2 GLN 11 3.988 -6.334 -5.580 99 HG3 GLN 11 HG1 GLN 11 3.410 -4.752 -5.053 100 HE21 GLN 11 1HE2 GLN 11 4.763 -3.010 -5.180 101 HE22 GLN 11 2HE2 GLN 11 6.281 -3.038 -6.013 102 H GLU 12 H GLU 12 4.127 -5.019 -0.901 103 HA GLU 12 HA GLU 12 5.544 -6.879 0.610 104 HB2 GLU 12 HB2 GLU 12 4.169 -4.342 1.516 105 HB3 GLU 12 HB1 GLU 12 5.372 -5.230 2.441 106 HG2 GLU 12 HG2 GLU 12 7.039 -4.798 0.705 107 HG3 GLU 12 HG1 GLU 12 5.831 -3.942 -0.242 108 H CYS 13 H CYS 13 2.190 -5.790 0.882 109 HA CYS 13 HA CYS 13 1.480 -7.177 3.187 110 HB2 CYS 13 HB2 CYS 13 0.140 -5.364 2.152 111 HB3 CYS 13 HB1 CYS 13 -0.305 -6.465 0.858 112 H GLN 14 H GLN 14 1.044 -8.183 -0.220 113 HA GLN 14 HA GLN 14 -0.040 -10.691 0.561 114 HB2 GLN 14 HB2 GLN 14 0.211 -11.366 -1.817 115 HB3 GLN 14 HB1 GLN 14 -0.673 -9.869 -1.592 116 HG2 GLN 14 HG2 GLN 14 1.165 -8.590 -2.315 117 HG3 GLN 14 HG1 GLN 14 2.232 -10.010 -2.376 118 HE21 GLN 14 1HE2 GLN 14 -0.325 -8.260 -3.858 119 HE22 GLN 14 2HE2 GLN 14 -0.369 -9.141 -5.339 120 H ARG 15 H ARG 15 3.221 -9.624 -0.108 121 HA ARG 15 HA ARG 15 4.361 -12.205 -0.109 122 HB2 ARG 15 HB2 ARG 15 5.528 -9.503 0.539 123 HB3 ARG 15 HB1 ARG 15 6.478 -10.981 0.506 124 HG2 ARG 15 HG2 ARG 15 4.916 -9.895 -1.822 125 HG3 ARG 15 HG1 ARG 15 6.642 -9.650 -1.574 126 HD2 ARG 15 HD2 ARG 15 5.226 -12.296 -1.962 127 HD3 ARG 15 HD1 ARG 15 6.260 -11.483 -3.130 128 HE ARG 15 HE ARG 15 7.863 -11.726 -1.004 129 HH11 ARG 15 HH11 ARG 15 5.962 -14.083 -2.816 130 HH12 ARG 15 HH12 ARG 15 6.944 -15.409 -2.425 131 HH21 ARG 15 HH21 ARG 15 9.245 -13.520 -0.475 132 HH22 ARG 15 HH22 ARG 15 8.884 -15.066 -1.058 133 H ARG 16 H ARG 16 3.665 -9.895 2.463 134 HA ARG 16 HA ARG 16 4.783 -11.460 4.533 135 HB2 ARG 16 HB2 ARG 16 2.548 -9.438 4.654 136 HB3 ARG 16 HB1 ARG 16 3.328 -10.149 6.055 137 HG2 ARG 16 HG2 ARG 16 4.708 -8.438 3.991 138 HG3 ARG 16 HG1 ARG 16 4.077 -7.852 5.525 139 HD2 ARG 16 HD2 ARG 16 6.432 -8.185 5.769 140 HD3 ARG 16 HD1 ARG 16 5.612 -9.454 6.675 141 HE ARG 16 HE ARG 16 6.205 -10.370 4.088 142 HH11 ARG 16 HH11 ARG 16 7.952 -9.479 7.047 143 HH12 ARG 16 HH12 ARG 16 9.189 -10.615 6.787 144 HH21 ARG 16 HH21 ARG 16 7.926 -11.934 3.793 145 HH22 ARG 16 HH22 ARG 16 9.174 -12.022 4.937 146 H CYS 17 H CYS 17 1.570 -11.316 3.147 147 HA CYS 17 HA CYS 17 0.324 -13.139 4.828 148 HB2 CYS 17 HB2 CYS 17 -0.118 -12.635 1.890 149 HB3 CYS 17 HB1 CYS 17 -1.147 -13.675 2.861 150 H GLN 18 H GLN 18 2.366 -13.745 2.001 151 HA GLN 18 HA GLN 18 1.967 -16.530 1.979 152 HB2 GLN 18 HB2 GLN 18 4.162 -14.827 0.829 153 HB3 GLN 18 HB1 GLN 18 3.970 -16.550 0.513 154 HG2 GLN 18 HG2 GLN 18 1.703 -16.081 -0.323 155 HG3 GLN 18 HG1 GLN 18 2.012 -14.385 -0.100 156 HE21 GLN 18 1HE2 GLN 18 3.248 -13.287 -1.464 157 HE22 GLN 18 2HE2 GLN 18 3.803 -13.903 -2.988 158 H SER 19 H SER 19 3.813 -14.585 4.037 159 HA SER 19 HA SER 19 5.478 -16.825 4.835 160 HB2 SER 19 HB2 SER 19 5.509 -13.940 5.750 161 HB3 SER 19 HB1 SER 19 6.721 -15.168 6.125 162 HG SER 19 HG SER 19 6.907 -15.374 3.775 163 H GLU 20 H GLU 20 2.974 -14.635 6.139 164 HA GLU 20 HA GLU 20 3.044 -15.966 8.702 165 HB2 GLU 20 HB2 GLU 20 1.162 -13.837 7.722 166 HB3 GLU 20 HB1 GLU 20 1.351 -14.374 9.380 167 HG2 GLU 20 HG2 GLU 20 3.740 -13.595 9.230 168 HG3 GLU 20 HG1 GLU 20 3.308 -12.863 7.693 169 H GLN 21 H GLN 21 1.155 -16.258 5.787 170 HA GLN 21 HA GLN 21 -0.831 -17.876 7.245 171 HB2 GLN 21 HB2 GLN 21 -1.419 -16.291 4.744 172 HB3 GLN 21 HB1 GLN 21 -2.565 -17.037 5.841 173 HG2 GLN 21 HG2 GLN 21 -0.888 -14.588 6.372 174 HG3 GLN 21 HG1 GLN 21 -2.617 -14.627 6.059 175 HE21 GLN 21 1HE2 GLN 21 -1.152 -13.551 8.297 176 HE22 GLN 21 2HE2 GLN 21 -1.734 -14.360 9.703 177 H GLN 22 H GLN 22 -2.003 -19.334 5.558 178 HA GLN 22 HA GLN 22 -0.540 -19.967 3.192 179 HB2 GLN 22 HB2 GLN 22 -0.242 -22.366 3.818 180 HB3 GLN 22 HB1 GLN 22 0.788 -21.266 4.714 181 HG2 GLN 22 HG2 GLN 22 -0.780 -21.418 6.618 182 HG3 GLN 22 HG1 GLN 22 -1.734 -22.582 5.697 183 HE21 GLN 22 1HE2 GLN 22 -0.303 -22.846 8.243 184 HE22 GLN 22 2HE2 GLN 22 0.766 -24.175 8.030 185 H GLY 23 H GLY 23 -1.614 -21.760 2.042 186 HA2 GLY 23 HA2 GLY 23 -3.451 -22.676 1.035 187 HA3 GLY 23 HA1 GLY 23 -4.067 -22.900 2.660 188 H GLN 24 H GLN 24 -6.092 -22.311 2.619 189 HA GLN 24 HA GLN 24 -7.272 -20.424 0.899 190 HB2 GLN 24 HB2 GLN 24 -8.656 -22.130 1.823 191 HB3 GLN 24 HB1 GLN 24 -8.209 -21.695 3.465 192 HG2 GLN 24 HG2 GLN 24 -9.360 -19.533 3.171 193 HG3 GLN 24 HG1 GLN 24 -9.879 -20.058 1.574 194 HE21 GLN 24 1HE2 GLN 24 -11.280 -19.356 4.077 195 HE22 GLN 24 2HE2 GLN 24 -12.367 -20.679 4.356 196 H ARG 25 H ARG 25 -6.017 -20.216 4.155 197 HA ARG 25 HA ARG 25 -7.151 -17.676 4.757 198 HB2 ARG 25 HB2 ARG 25 -4.700 -18.904 5.984 199 HB3 ARG 25 HB1 ARG 25 -5.786 -17.732 6.723 200 HG2 ARG 25 HG2 ARG 25 -6.514 -20.555 5.982 201 HG3 ARG 25 HG1 ARG 25 -6.123 -20.010 7.605 202 HD2 ARG 25 HD2 ARG 25 -8.371 -18.820 5.989 203 HD3 ARG 25 HD1 ARG 25 -8.592 -20.250 6.982 204 HE ARG 25 HE ARG 25 -7.470 -18.457 8.662 205 HH11 ARG 25 HH11 ARG 25 -10.249 -18.131 6.474 206 HH12 ARG 25 HH12 ARG 25 -11.236 -17.379 7.630 207 HH21 ARG 25 HH21 ARG 25 -8.838 -17.378 10.234 208 HH22 ARG 25 HH22 ARG 25 -10.417 -16.915 9.810 209 H LEU 26 H LEU 26 -4.259 -18.746 3.200 210 HA LEU 26 HA LEU 26 -2.922 -16.252 3.102 211 HB2 LEU 26 HB2 LEU 26 -1.628 -18.047 2.637 212 HB3 LEU 26 HB1 LEU 26 -2.755 -18.784 1.500 213 HG LEU 26 HG LEU 26 -2.136 -16.990 -0.118 214 HD11 LEU 26 HD11 LEU 26 -1.500 -15.292 1.452 215 HD12 LEU 26 HD12 LEU 26 -0.194 -15.611 0.324 216 HD13 LEU 26 HD13 LEU 26 -0.112 -16.244 1.977 217 HD21 LEU 26 HD21 LEU 26 -1.025 -19.150 -0.201 218 HD22 LEU 26 HD22 LEU 26 0.171 -18.594 0.969 219 HD23 LEU 26 HD23 LEU 26 0.090 -17.853 -0.630 220 H GLN 27 H GLN 27 -5.183 -17.854 0.976 221 HA GLN 27 HA GLN 27 -5.213 -15.900 -1.057 222 HB2 GLN 27 HB2 GLN 27 -7.401 -17.802 -0.222 223 HB3 GLN 27 HB1 GLN 27 -7.278 -16.984 -1.777 224 HG2 GLN 27 HG2 GLN 27 -5.284 -18.191 -2.321 225 HG3 GLN 27 HG1 GLN 27 -5.228 -18.907 -0.715 226 HE21 GLN 27 1HE2 GLN 27 -5.299 -20.955 -1.470 227 HE22 GLN 27 2HE2 GLN 27 -6.719 -21.662 -2.158 228 H GLU 28 H GLU 28 -7.172 -16.374 1.844 229 HA GLU 28 HA GLU 28 -8.846 -14.129 1.503 230 HB2 GLU 28 HB2 GLU 28 -8.020 -15.543 4.052 231 HB3 GLU 28 HB1 GLU 28 -9.313 -14.361 3.938 232 HG2 GLU 28 HG2 GLU 28 -10.482 -15.889 2.349 233 HG3 GLU 28 HG1 GLU 28 -9.221 -17.081 2.644 234 H CYS 29 H CYS 29 -5.752 -14.564 3.149 235 HA CYS 29 HA CYS 29 -5.559 -11.990 4.255 236 HB2 CYS 29 HB2 CYS 29 -4.134 -13.918 4.900 237 HB3 CYS 29 HB1 CYS 29 -3.288 -13.775 3.366 238 H GLN 30 H GLN 30 -4.214 -13.297 1.232 239 HA GLN 30 HA GLN 30 -3.171 -10.840 0.350 240 HB2 GLN 30 HB2 GLN 30 -4.009 -13.278 -1.192 241 HB3 GLN 30 HB1 GLN 30 -3.257 -11.877 -1.957 242 HG2 GLN 30 HG2 GLN 30 -1.321 -12.212 -0.457 243 HG3 GLN 30 HG1 GLN 30 -2.097 -13.683 0.132 244 HE21 GLN 30 1HE2 GLN 30 -2.301 -15.398 -1.237 245 HE22 GLN 30 2HE2 GLN 30 -1.356 -15.580 -2.668 246 H GLN 31 H GLN 31 -6.360 -12.210 0.105 247 HA GLN 31 HA GLN 31 -7.474 -10.480 -1.783 248 HB2 GLN 31 HB2 GLN 31 -8.561 -12.537 -0.871 249 HB3 GLN 31 HB1 GLN 31 -8.816 -11.690 0.641 250 HG2 GLN 31 HG2 GLN 31 -10.237 -10.063 -0.537 251 HG3 GLN 31 HG1 GLN 31 -10.011 -10.982 -2.024 252 HE21 GLN 31 1HE2 GLN 31 -11.456 -10.938 1.095 253 HE22 GLN 31 2HE2 GLN 31 -12.554 -12.242 0.863 254 H ARG 32 H ARG 32 -7.037 -10.185 1.710 255 HA ARG 32 HA ARG 32 -8.331 -7.728 2.162 256 HB2 ARG 32 HB2 ARG 32 -5.751 -8.590 3.449 257 HB3 ARG 32 HB1 ARG 32 -6.890 -7.427 4.079 258 HG2 ARG 32 HG2 ARG 32 -8.495 -9.226 4.459 259 HG3 ARG 32 HG1 ARG 32 -7.326 -10.390 3.810 260 HD2 ARG 32 HD2 ARG 32 -7.011 -8.636 6.234 261 HD3 ARG 32 HD1 ARG 32 -7.101 -10.398 6.201 262 HE ARG 32 HE ARG 32 -4.993 -10.001 4.667 263 HH11 ARG 32 HH11 ARG 32 -5.761 -8.537 7.797 264 HH12 ARG 32 HH12 ARG 32 -4.139 -8.266 8.227 265 HH21 ARG 32 HH21 ARG 32 -2.718 -9.579 5.282 266 HH22 ARG 32 HH22 ARG 32 -2.405 -8.822 6.764 267 H CYS 33 H CYS 33 -5.004 -8.486 1.296 268 HA CYS 33 HA CYS 33 -3.976 -5.892 1.213 269 HB2 CYS 33 HB2 CYS 33 -3.142 -8.241 -0.492 270 HB3 CYS 33 HB1 CYS 33 -2.155 -6.850 -0.059 271 H GLN 34 H GLN 34 -5.522 -7.867 -1.283 272 HA GLN 34 HA GLN 34 -5.279 -6.034 -3.396 273 HB2 GLN 34 HB2 GLN 34 -7.391 -8.141 -2.901 274 HB3 GLN 34 HB1 GLN 34 -7.188 -7.276 -4.417 275 HG2 GLN 34 HG2 GLN 34 -5.118 -9.055 -3.137 276 HG3 GLN 34 HG1 GLN 34 -6.197 -9.533 -4.443 277 HE21 GLN 34 1HE2 GLN 34 -6.010 -6.989 -5.851 278 HE22 GLN 34 2HE2 GLN 34 -4.429 -6.958 -6.547 279 H GLN 35 H GLN 35 -7.727 -6.471 -0.892 280 HA GLN 35 HA GLN 35 -9.536 -4.524 -1.833 281 HB2 GLN 35 HB2 GLN 35 -9.065 -5.377 1.033 282 HB3 GLN 35 HB1 GLN 35 -10.433 -4.436 0.471 283 HG2 GLN 35 HG2 GLN 35 -9.790 -7.308 -0.151 284 HG3 GLN 35 HG1 GLN 35 -11.152 -6.684 0.774 285 HE21 GLN 35 1HE2 GLN 35 -9.863 -7.294 -2.329 286 HE22 GLN 35 2HE2 GLN 35 -11.267 -6.892 -3.250 287 H GLU 36 H GLU 36 -6.758 -4.317 0.297 288 HA GLU 36 HA GLU 36 -7.014 -1.615 1.022 289 HB2 GLU 36 HB2 GLU 36 -4.587 -3.359 0.758 290 HB3 GLU 36 HB1 GLU 36 -4.533 -1.731 1.408 291 HG2 GLU 36 HG2 GLU 36 -5.985 -4.124 2.507 292 HG3 GLU 36 HG1 GLU 36 -4.611 -3.289 3.228 293 H TYR 37 H TYR 37 -5.230 -3.144 -1.540 294 HA TYR 37 HA TYR 37 -4.217 -0.870 -2.786 295 HB2 TYR 37 HB2 TYR 37 -3.507 -3.158 -3.344 296 HB3 TYR 37 HB1 TYR 37 -5.077 -3.476 -4.063 297 HD1 TYR 37 HD1 TYR 37 -5.361 -3.153 -6.343 298 HD2 TYR 37 HD2 TYR 37 -2.160 -1.181 -4.366 299 HE1 TYR 37 HE1 TYR 37 -4.529 -2.343 -8.507 300 HE2 TYR 37 HE2 TYR 37 -1.323 -0.362 -6.507 301 HH TYR 37 HH TYR 37 -3.186 -0.448 -9.305 302 H GLN 38 H GLN 38 -7.362 -2.416 -3.116 303 HA GLN 38 HA GLN 38 -8.296 -0.657 -5.155 304 HB2 GLN 38 HB2 GLN 38 -9.923 -2.366 -3.255 305 HB3 GLN 38 HB1 GLN 38 -10.535 -1.585 -4.705 306 HG2 GLN 38 HG2 GLN 38 -8.479 -3.783 -4.581 307 HG3 GLN 38 HG1 GLN 38 -10.150 -3.938 -5.107 308 HE21 GLN 38 1HE2 GLN 38 -10.715 -3.186 -7.121 309 HE22 GLN 38 2HE2 GLN 38 -9.553 -2.787 -8.332 310 H ARG 39 H ARG 39 -8.285 -0.569 -1.682 311 HA ARG 39 HA ARG 39 -10.035 1.673 -1.405 312 HB2 ARG 39 HB2 ARG 39 -7.794 0.764 0.432 313 HB3 ARG 39 HB1 ARG 39 -8.992 1.977 0.836 314 HG2 ARG 39 HG2 ARG 39 -9.492 -0.957 0.353 315 HG3 ARG 39 HG1 ARG 39 -9.527 -0.119 1.905 316 HD2 ARG 39 HD2 ARG 39 -11.371 0.335 -0.426 317 HD3 ARG 39 HD1 ARG 39 -11.779 -0.485 1.078 318 HE ARG 39 HE ARG 39 -11.246 1.692 2.163 319 HH11 ARG 39 HH11 ARG 39 -12.511 1.504 -1.146 320 HH12 ARG 39 HH12 ARG 39 -13.194 3.071 -1.110 321 HH21 ARG 39 HH21 ARG 39 -12.215 3.879 2.170 322 HH22 ARG 39 HH22 ARG 39 -13.026 4.424 0.774 323 H GLU 40 H GLU 40 -6.613 1.253 -1.831 324 HA GLU 40 HA GLU 40 -6.063 4.061 -1.594 325 HB2 GLU 40 HB2 GLU 40 -4.283 1.746 -2.252 326 HB3 GLU 40 HB1 GLU 40 -3.732 3.396 -1.998 327 HG2 GLU 40 HG2 GLU 40 -4.678 3.297 0.286 328 HG3 GLU 40 HG1 GLU 40 -5.077 1.606 -0.004 329 H LYS 41 H LYS 41 -7.307 2.367 -4.124 330 HA LYS 41 HA LYS 41 -5.763 3.790 -6.137 331 HB2 LYS 41 HB2 LYS 41 -7.207 2.804 -7.819 332 HB3 LYS 41 HB1 LYS 41 -6.678 1.555 -6.695 333 HG2 LYS 41 HG2 LYS 41 -8.834 1.568 -5.624 334 HG3 LYS 41 HG1 LYS 41 -9.355 2.916 -6.633 335 HD2 LYS 41 HD2 LYS 41 -9.137 1.530 -8.618 336 HD3 LYS 41 HD1 LYS 41 -8.574 0.180 -7.632 337 HE2 LYS 41 HE2 LYS 41 -10.682 0.038 -6.509 338 HE3 LYS 41 HE1 LYS 41 -11.259 1.510 -7.279 339 HZ1 LYS 41 HZ1 LYS 41 -10.641 -1.048 -8.677 340 HZ2 LYS 41 HZ2 LYS 41 -11.158 0.366 -9.413 341 HZ3 LYS 41 HZ3 LYS 41 -12.171 -0.434 -8.345 342 H GLY 42 H GLY 42 -8.394 4.287 -4.185 343 HA2 GLY 42 HA2 GLY 42 -9.149 6.699 -5.693 344 HA3 GLY 42 HA1 GLY 42 -10.255 5.806 -4.646 345 H GLN 43 H GLN 43 -7.295 7.659 -4.662 346 HA GLN 43 HA GLN 43 -7.305 7.929 -1.800 347 HB2 GLN 43 HB2 GLN 43 -5.533 9.134 -3.924 348 HB3 GLN 43 HB1 GLN 43 -5.297 9.353 -2.194 349 HG2 GLN 43 HG2 GLN 43 -4.872 7.048 -1.874 350 HG3 GLN 43 HG1 GLN 43 -5.386 6.665 -3.512 351 HE21 GLN 43 1HE2 GLN 43 -3.527 5.691 -3.989 352 HE22 GLN 43 2HE2 GLN 43 -2.023 6.514 -4.237 353 H HIS 44 H HIS 44 -9.392 8.811 -1.768 354 HA HIS 44 HA HIS 44 -9.706 11.556 -2.696 355 HB2 HIS 44 HB2 HIS 44 -11.459 9.626 -2.885 356 HB3 HIS 44 HB1 HIS 44 -11.762 9.936 -1.184 357 HD1 HIS 44 HD1 HIS 44 -12.676 11.080 -4.560 358 HD2 HIS 44 HD2 HIS 44 -12.865 12.579 -0.688 359 HE1 HIS 44 HE1 HIS 44 -14.275 13.024 -4.636 360 H GLN 45 H GLN 45 -8.146 10.295 -0.279 361 HA GLN 45 HA GLN 45 -9.273 11.490 2.060 362 HB2 GLN 45 HB2 GLN 45 -6.465 10.477 1.571 363 HB3 GLN 45 HB1 GLN 45 -7.191 10.801 3.131 364 HG2 GLN 45 HG2 GLN 45 -8.776 8.955 2.755 365 HG3 GLN 45 HG1 GLN 45 -8.028 8.650 1.192 366 HE21 GLN 45 1HE2 GLN 45 -6.212 9.512 4.085 367 HE22 GLN 45 2HE2 GLN 45 -5.432 7.990 4.273 368 H GLY 46 H GLY 46 -9.296 13.693 2.242 369 HA2 GLY 46 HA2 GLY 46 -8.042 15.642 2.742 370 HA3 GLY 46 HA1 GLY 46 -6.799 15.088 1.630 371 H GLU 47 H GLU 47 -9.631 14.469 0.113 372 HA GLU 47 HA GLU 47 -9.238 16.679 -1.646 373 HB2 GLU 47 HB2 GLU 47 -11.343 14.524 -1.681 374 HB3 GLU 47 HB1 GLU 47 -11.104 15.725 -2.939 375 HG2 GLU 47 HG2 GLU 47 -9.169 13.596 -2.098 376 HG3 GLU 47 HG1 GLU 47 -10.115 13.638 -3.586 377 H THR 48 H THR 48 -9.827 18.547 -0.837 378 HA THR 48 HA THR 48 -12.522 18.771 0.260 379 HB THR 48 HB THR 48 -10.588 19.600 1.654 380 HG1 THR 48 HG1 THR 48 -12.576 21.462 0.845 381 HG21 THR 48 HG21 THR 48 -9.557 21.766 1.064 382 HG22 THR 48 HG22 THR 48 -10.399 21.731 -0.487 383 HG23 THR 48 HG23 THR 48 -9.176 20.516 -0.119 384 H ASN 49 H ASN 49 -10.790 19.181 -2.544 385 HA ASN 49 HA ASN 49 -12.877 20.895 -3.577 386 HB2 ASN 49 HB2 ASN 49 -11.239 22.105 -5.082 387 HB3 ASN 49 HB1 ASN 49 -11.077 22.478 -3.378 388 HD21 ASN 49 HD21 ASN 49 -9.554 21.146 -6.164 389 HD22 ASN 49 HD22 ASN 49 -7.995 20.911 -5.467 Start of MODEL 15 1 H1 ARG 1 HT1 ARG 1 11.077 2.808 -11.247 2 H2 ARG 1 HT2 ARG 1 12.232 1.636 -11.031 3 H3 ARG 1 HT3 ARG 1 12.717 3.248 -11.198 4 HA ARG 1 HA ARG 1 12.877 2.566 -8.915 5 HB2 ARG 1 HB2 ARG 1 11.390 4.215 -7.860 6 HB3 ARG 1 HB1 ARG 1 12.117 4.882 -9.309 7 HG2 ARG 1 HG2 ARG 1 10.085 4.732 -10.520 8 HG3 ARG 1 HG1 ARG 1 9.358 3.683 -9.299 9 HD2 ARG 1 HD2 ARG 1 9.373 5.503 -7.694 10 HD3 ARG 1 HD1 ARG 1 10.180 6.544 -8.862 11 HE ARG 1 HE ARG 1 8.219 6.597 -10.149 12 HH11 ARG 1 HH11 ARG 1 7.621 4.770 -7.165 13 HH12 ARG 1 HH12 ARG 1 6.045 5.369 -6.944 14 HH21 ARG 1 HH21 ARG 1 5.981 7.346 -9.877 15 HH22 ARG 1 HH22 ARG 1 5.076 6.820 -8.549 16 H GLY 2 H GLY 2 11.041 2.484 -6.974 17 HA2 GLY 2 HA2 GLY 2 9.613 0.036 -7.447 18 HA3 GLY 2 HA1 GLY 2 9.735 0.919 -5.922 19 HA PRO 3 HA PRO 3 5.808 1.971 -8.679 20 HB2 PRO 3 HB2 PRO 3 4.466 -0.087 -7.018 21 HB3 PRO 3 HB1 PRO 3 4.246 0.291 -8.731 22 HG2 PRO 3 HG2 PRO 3 5.573 -1.891 -8.026 23 HG3 PRO 3 HG1 PRO 3 6.155 -0.886 -9.365 24 HD2 PRO 3 HD2 PRO 3 7.135 -1.032 -6.545 25 HD3 PRO 3 HD1 PRO 3 8.051 -0.960 -8.067 26 H ASP 4 H ASP 4 3.676 2.666 -7.793 27 HA ASP 4 HA ASP 4 3.975 4.606 -5.819 28 HB2 ASP 4 HB2 ASP 4 2.265 4.704 -7.571 29 HB3 ASP 4 HB1 ASP 4 1.463 3.313 -6.812 30 H LYS 5 H LYS 5 2.772 4.806 -3.945 31 HA LYS 5 HA LYS 5 3.606 3.095 -1.922 32 HB2 LYS 5 HB2 LYS 5 2.014 4.280 -0.412 33 HB3 LYS 5 HB1 LYS 5 3.047 5.345 -1.348 34 HG2 LYS 5 HG2 LYS 5 1.175 5.757 -2.909 35 HG3 LYS 5 HG1 LYS 5 0.151 4.711 -1.931 36 HD2 LYS 5 HD2 LYS 5 1.514 7.182 -0.872 37 HD3 LYS 5 HD1 LYS 5 -0.115 7.173 -1.540 38 HE2 LYS 5 HE2 LYS 5 0.742 5.453 0.788 39 HE3 LYS 5 HE1 LYS 5 0.027 7.048 0.967 40 HZ1 LYS 5 HZ1 LYS 5 -1.335 4.635 -0.216 41 HZ2 LYS 5 HZ2 LYS 5 -1.958 6.181 -0.240 42 HZ3 LYS 5 HZ3 LYS 5 -1.648 5.434 1.215 43 H SER 6 H SER 6 0.411 3.205 -3.417 44 HA SER 6 HA SER 6 -0.786 1.361 -1.674 45 HB2 SER 6 HB2 SER 6 -1.504 2.096 -4.486 46 HB3 SER 6 HB1 SER 6 -2.581 1.431 -3.254 47 HG SER 6 HG SER 6 -2.186 3.269 -1.979 48 H TYR 7 H TYR 7 0.822 1.001 -4.804 49 HA TYR 7 HA TYR 7 0.120 -1.788 -5.021 50 HB2 TYR 7 HB2 TYR 7 0.545 -0.215 -7.015 51 HB3 TYR 7 HB1 TYR 7 2.237 -0.322 -6.591 52 HD1 TYR 7 HD1 TYR 7 3.558 -2.112 -7.289 53 HD2 TYR 7 HD2 TYR 7 -0.662 -2.392 -7.627 54 HE1 TYR 7 HE1 TYR 7 3.809 -4.166 -8.618 55 HE2 TYR 7 HE2 TYR 7 -0.434 -4.455 -8.947 56 HH TYR 7 HH TYR 7 2.513 -6.146 -9.178 57 H LYS 8 H LYS 8 2.771 0.165 -3.978 58 HA LYS 8 HA LYS 8 4.784 -1.709 -3.672 59 HB2 LYS 8 HB2 LYS 8 5.027 0.735 -3.494 60 HB3 LYS 8 HB1 LYS 8 4.118 0.718 -1.995 61 HG2 LYS 8 HG2 LYS 8 5.913 -0.679 -1.004 62 HG3 LYS 8 HG1 LYS 8 6.836 -0.464 -2.488 63 HD2 LYS 8 HD2 LYS 8 5.887 1.723 -0.635 64 HD3 LYS 8 HD1 LYS 8 7.542 1.146 -0.780 65 HE2 LYS 8 HE2 LYS 8 5.934 2.556 -2.924 66 HE3 LYS 8 HE1 LYS 8 7.218 3.254 -1.949 67 HZ1 LYS 8 HZ1 LYS 8 8.015 2.682 -4.101 68 HZ2 LYS 8 HZ2 LYS 8 7.547 1.075 -3.951 69 HZ3 LYS 8 HZ3 LYS 8 8.778 1.690 -2.977 70 H ARG 9 H ARG 9 2.380 -0.454 -1.365 71 HA ARG 9 HA ARG 9 2.848 -2.122 0.815 72 HB2 ARG 9 HB2 ARG 9 0.246 -0.973 -0.150 73 HB3 ARG 9 HB1 ARG 9 0.474 -1.739 1.406 74 HG2 ARG 9 HG2 ARG 9 2.095 0.023 1.980 75 HG3 ARG 9 HG1 ARG 9 1.726 0.813 0.439 76 HD2 ARG 9 HD2 ARG 9 0.397 1.775 2.227 77 HD3 ARG 9 HD1 ARG 9 -0.629 0.920 1.073 78 HE ARG 9 HE ARG 9 0.286 -0.333 3.557 79 HH11 ARG 9 HH11 ARG 9 -2.393 0.500 1.375 80 HH12 ARG 9 HH12 ARG 9 -3.530 -0.434 2.221 81 HH21 ARG 9 HH21 ARG 9 -1.244 -1.607 4.638 82 HH22 ARG 9 HH22 ARG 9 -2.883 -1.669 4.156 83 H LEU 10 H LEU 10 0.699 -2.503 -1.946 84 HA LEU 10 HA LEU 10 -0.589 -4.825 -1.186 85 HB2 LEU 10 HB2 LEU 10 -1.352 -3.531 -3.068 86 HB3 LEU 10 HB1 LEU 10 0.133 -3.851 -3.939 87 HG LEU 10 HG LEU 10 -0.441 -6.183 -4.157 88 HD11 LEU 10 HD11 LEU 10 -1.596 -6.487 -2.074 89 HD12 LEU 10 HD12 LEU 10 -2.606 -7.034 -3.409 90 HD13 LEU 10 HD13 LEU 10 -2.935 -5.481 -2.623 91 HD21 LEU 10 HD21 LEU 10 -1.234 -4.650 -5.866 92 HD22 LEU 10 HD22 LEU 10 -2.715 -4.372 -4.947 93 HD23 LEU 10 HD23 LEU 10 -2.384 -5.967 -5.628 94 H GLN 11 H GLN 11 2.371 -4.494 -3.052 95 HA GLN 11 HA GLN 11 2.880 -7.213 -3.459 96 HB2 GLN 11 HB2 GLN 11 4.802 -4.908 -3.193 97 HB3 GLN 11 HB1 GLN 11 5.247 -6.508 -3.768 98 HG2 GLN 11 HG2 GLN 11 3.751 -6.272 -5.657 99 HG3 GLN 11 HG1 GLN 11 3.215 -4.705 -5.057 100 HE21 GLN 11 1HE2 GLN 11 4.548 -2.971 -5.238 101 HE22 GLN 11 2HE2 GLN 11 5.962 -2.965 -6.246 102 H GLU 12 H GLU 12 4.109 -5.035 -0.921 103 HA GLU 12 HA GLU 12 5.570 -6.971 0.493 104 HB2 GLU 12 HB2 GLU 12 4.221 -4.510 1.581 105 HB3 GLU 12 HB1 GLU 12 5.499 -5.416 2.373 106 HG2 GLU 12 HG2 GLU 12 7.000 -4.846 0.506 107 HG3 GLU 12 HG1 GLU 12 5.711 -3.859 -0.184 108 H CYS 13 H CYS 13 2.258 -5.851 0.810 109 HA CYS 13 HA CYS 13 1.576 -7.210 3.116 110 HB2 CYS 13 HB2 CYS 13 0.219 -5.408 2.130 111 HB3 CYS 13 HB1 CYS 13 -0.246 -6.497 0.828 112 H GLN 14 H GLN 14 1.192 -8.237 -0.273 113 HA GLN 14 HA GLN 14 0.011 -10.704 0.467 114 HB2 GLN 14 HB2 GLN 14 1.384 -10.026 -2.147 115 HB3 GLN 14 HB1 GLN 14 0.319 -11.402 -1.845 116 HG2 GLN 14 HG2 GLN 14 -1.518 -9.848 -1.367 117 HG3 GLN 14 HG1 GLN 14 -0.453 -8.500 -1.759 118 HE21 GLN 14 1HE2 GLN 14 0.207 -8.236 -3.893 119 HE22 GLN 14 2HE2 GLN 14 -0.645 -8.949 -5.215 120 H ARG 15 H ARG 15 3.317 -9.719 -0.164 121 HA ARG 15 HA ARG 15 4.509 -12.267 -0.011 122 HB2 ARG 15 HB2 ARG 15 5.600 -9.531 0.676 123 HB3 ARG 15 HB1 ARG 15 6.577 -10.990 0.682 124 HG2 ARG 15 HG2 ARG 15 5.110 -9.940 -1.726 125 HG3 ARG 15 HG1 ARG 15 6.810 -9.631 -1.373 126 HD2 ARG 15 HD2 ARG 15 5.567 -12.359 -1.762 127 HD3 ARG 15 HD1 ARG 15 6.508 -11.481 -2.963 128 HE ARG 15 HE ARG 15 8.259 -11.540 -1.009 129 HH11 ARG 15 HH11 ARG 15 6.122 -14.198 -1.955 130 HH12 ARG 15 HH12 ARG 15 7.272 -15.412 -1.634 131 HH21 ARG 15 HH21 ARG 15 9.802 -13.166 -0.553 132 HH22 ARG 15 HH22 ARG 15 9.426 -14.814 -0.777 133 H ARG 16 H ARG 16 3.764 -9.880 2.477 134 HA ARG 16 HA ARG 16 4.754 -11.366 4.651 135 HB2 ARG 16 HB2 ARG 16 2.570 -9.301 4.549 136 HB3 ARG 16 HB1 ARG 16 3.122 -10.045 6.039 137 HG2 ARG 16 HG2 ARG 16 5.406 -9.171 5.493 138 HG3 ARG 16 HG1 ARG 16 4.653 -8.245 4.191 139 HD2 ARG 16 HD2 ARG 16 4.884 -6.922 6.277 140 HD3 ARG 16 HD1 ARG 16 3.203 -7.121 5.768 141 HE ARG 16 HE ARG 16 3.850 -9.204 7.507 142 HH11 ARG 16 HH11 ARG 16 3.375 -5.721 7.702 143 HH12 ARG 16 HH12 ARG 16 2.831 -5.725 9.313 144 HH21 ARG 16 HH21 ARG 16 3.047 -9.275 9.639 145 HH22 ARG 16 HH22 ARG 16 2.646 -7.847 10.485 146 H CYS 17 H CYS 17 1.625 -11.265 3.143 147 HA CYS 17 HA CYS 17 0.323 -13.054 4.841 148 HB2 CYS 17 HB2 CYS 17 -0.086 -12.464 1.929 149 HB3 CYS 17 HB1 CYS 17 -1.130 -13.541 2.843 150 H GLN 18 H GLN 18 2.417 -13.646 2.081 151 HA GLN 18 HA GLN 18 2.005 -16.431 1.980 152 HB2 GLN 18 HB2 GLN 18 4.389 -14.801 1.126 153 HB3 GLN 18 HB1 GLN 18 4.138 -16.491 0.723 154 HG2 GLN 18 HG2 GLN 18 2.011 -15.810 -0.389 155 HG3 GLN 18 HG1 GLN 18 2.481 -14.146 -0.113 156 HE21 GLN 18 1HE2 GLN 18 3.305 -17.054 -1.803 157 HE22 GLN 18 2HE2 GLN 18 4.308 -16.308 -2.992 158 H SER 19 H SER 19 4.075 -14.417 3.868 159 HA SER 19 HA SER 19 5.635 -16.556 4.917 160 HB2 SER 19 HB2 SER 19 6.490 -14.228 4.680 161 HB3 SER 19 HB1 SER 19 5.312 -13.691 5.870 162 HG SER 19 HG SER 19 7.160 -15.726 6.480 163 H GLU 20 H GLU 20 3.000 -14.492 6.209 164 HA GLU 20 HA GLU 20 2.956 -15.954 8.667 165 HB2 GLU 20 HB2 GLU 20 1.239 -13.702 7.678 166 HB3 GLU 20 HB1 GLU 20 1.251 -14.333 9.321 167 HG2 GLU 20 HG2 GLU 20 3.665 -13.758 9.451 168 HG3 GLU 20 HG1 GLU 20 3.521 -13.041 7.867 169 H GLN 21 H GLN 21 1.095 -16.127 5.726 170 HA GLN 21 HA GLN 21 -0.798 -17.896 7.099 171 HB2 GLN 21 HB2 GLN 21 -1.409 -15.875 4.937 172 HB3 GLN 21 HB1 GLN 21 -2.533 -17.113 5.474 173 HG2 GLN 21 HG2 GLN 21 -1.385 -14.945 7.223 174 HG3 GLN 21 HG1 GLN 21 -2.969 -14.896 6.456 175 HE21 GLN 21 1HE2 GLN 21 -2.280 -14.839 9.283 176 HE22 GLN 21 2HE2 GLN 21 -3.124 -16.166 10.001 177 H GLN 22 H GLN 22 -1.948 -19.353 5.508 178 HA GLN 22 HA GLN 22 -0.643 -19.898 3.025 179 HB2 GLN 22 HB2 GLN 22 -0.260 -22.311 3.659 180 HB3 GLN 22 HB1 GLN 22 0.872 -21.154 4.334 181 HG2 GLN 22 HG2 GLN 22 -0.304 -21.240 6.465 182 HG3 GLN 22 HG1 GLN 22 -1.467 -22.373 5.776 183 HE21 GLN 22 1HE2 GLN 22 0.422 -22.630 8.013 184 HE22 GLN 22 2HE2 GLN 22 1.383 -24.011 7.637 185 H GLY 23 H GLY 23 -1.736 -21.730 1.921 186 HA2 GLY 23 HA2 GLY 23 -3.594 -22.792 1.176 187 HA3 GLY 23 HA1 GLY 23 -4.122 -22.864 2.845 188 H GLN 24 H GLN 24 -6.167 -22.359 2.689 189 HA GLN 24 HA GLN 24 -7.302 -20.456 0.972 190 HB2 GLN 24 HB2 GLN 24 -8.438 -21.601 3.538 191 HB3 GLN 24 HB1 GLN 24 -9.356 -20.779 2.289 192 HG2 GLN 24 HG2 GLN 24 -9.829 -22.982 1.825 193 HG3 GLN 24 HG1 GLN 24 -8.465 -22.693 0.761 194 HE21 GLN 24 1HE2 GLN 24 -9.456 -25.183 1.797 195 HE22 GLN 24 2HE2 GLN 24 -8.171 -25.932 2.668 196 H ARG 25 H ARG 25 -6.070 -20.336 4.229 197 HA ARG 25 HA ARG 25 -7.037 -17.805 4.991 198 HB2 ARG 25 HB2 ARG 25 -4.551 -19.298 5.777 199 HB3 ARG 25 HB1 ARG 25 -5.151 -17.867 6.604 200 HG2 ARG 25 HG2 ARG 25 -6.746 -20.381 6.287 201 HG3 ARG 25 HG1 ARG 25 -5.705 -20.065 7.676 202 HD2 ARG 25 HD2 ARG 25 -8.053 -18.408 6.751 203 HD3 ARG 25 HD1 ARG 25 -8.036 -19.506 8.131 204 HE ARG 25 HE ARG 25 -6.149 -18.009 8.931 205 HH11 ARG 25 HH11 ARG 25 -8.899 -16.796 7.011 206 HH12 ARG 25 HH12 ARG 25 -8.919 -15.276 7.764 207 HH21 ARG 25 HH21 ARG 25 -6.177 -15.876 9.918 208 HH22 ARG 25 HH22 ARG 25 -7.340 -14.736 9.442 209 H LEU 26 H LEU 26 -4.292 -18.827 3.110 210 HA LEU 26 HA LEU 26 -3.000 -16.293 2.945 211 HB2 LEU 26 HB2 LEU 26 -1.737 -18.187 2.443 212 HB3 LEU 26 HB1 LEU 26 -2.867 -18.767 1.226 213 HG LEU 26 HG LEU 26 -2.217 -16.785 -0.156 214 HD11 LEU 26 HD11 LEU 26 -0.144 -15.622 0.409 215 HD12 LEU 26 HD12 LEU 26 -0.130 -16.446 1.978 216 HD13 LEU 26 HD13 LEU 26 -1.436 -15.335 1.567 217 HD21 LEU 26 HD21 LEU 26 -0.061 -17.698 -0.857 218 HD22 LEU 26 HD22 LEU 26 -1.249 -18.970 -0.579 219 HD23 LEU 26 HD23 LEU 26 0.005 -18.656 0.622 220 H GLN 27 H GLN 27 -5.409 -17.968 1.052 221 HA GLN 27 HA GLN 27 -5.593 -16.178 -1.104 222 HB2 GLN 27 HB2 GLN 27 -7.812 -17.824 0.121 223 HB3 GLN 27 HB1 GLN 27 -7.803 -17.129 -1.492 224 HG2 GLN 27 HG2 GLN 27 -5.969 -19.286 -0.476 225 HG3 GLN 27 HG1 GLN 27 -7.341 -19.510 -1.556 226 HE21 GLN 27 1HE2 GLN 27 -4.540 -20.115 -1.894 227 HE22 GLN 27 2HE2 GLN 27 -4.037 -19.306 -3.333 228 H GLU 28 H GLU 28 -7.287 -16.352 1.974 229 HA GLU 28 HA GLU 28 -8.913 -14.079 1.689 230 HB2 GLU 28 HB2 GLU 28 -7.760 -15.259 4.216 231 HB3 GLU 28 HB1 GLU 28 -9.100 -14.130 4.134 232 HG2 GLU 28 HG2 GLU 28 -10.377 -15.821 2.869 233 HG3 GLU 28 HG1 GLU 28 -9.040 -16.950 3.100 234 H CYS 29 H CYS 29 -5.748 -14.500 3.241 235 HA CYS 29 HA CYS 29 -5.461 -11.892 4.170 236 HB2 CYS 29 HB2 CYS 29 -4.074 -13.904 4.830 237 HB3 CYS 29 HB1 CYS 29 -3.190 -13.688 3.331 238 H GLN 30 H GLN 30 -4.125 -13.338 1.150 239 HA GLN 30 HA GLN 30 -3.040 -10.901 0.253 240 HB2 GLN 30 HB2 GLN 30 -3.830 -13.352 -1.316 241 HB3 GLN 30 HB1 GLN 30 -3.040 -11.961 -2.050 242 HG2 GLN 30 HG2 GLN 30 -1.165 -12.317 -0.434 243 HG3 GLN 30 HG1 GLN 30 -1.962 -13.813 0.052 244 HE21 GLN 30 1HE2 GLN 30 -2.082 -15.455 -1.395 245 HE22 GLN 30 2HE2 GLN 30 -1.098 -15.593 -2.809 246 H GLN 31 H GLN 31 -6.253 -12.251 -0.077 247 HA GLN 31 HA GLN 31 -7.295 -10.480 -1.992 248 HB2 GLN 31 HB2 GLN 31 -8.555 -12.443 -1.133 249 HB3 GLN 31 HB1 GLN 31 -8.721 -11.631 0.418 250 HG2 GLN 31 HG2 GLN 31 -9.882 -9.756 -0.855 251 HG3 GLN 31 HG1 GLN 31 -9.955 -10.873 -2.213 252 HE21 GLN 31 1HE2 GLN 31 -12.134 -9.673 -0.732 253 HE22 GLN 31 2HE2 GLN 31 -13.031 -10.997 -0.079 254 H ARG 32 H ARG 32 -7.045 -10.290 1.523 255 HA ARG 32 HA ARG 32 -8.351 -7.821 1.808 256 HB2 ARG 32 HB2 ARG 32 -6.354 -9.159 3.633 257 HB3 ARG 32 HB1 ARG 32 -7.272 -7.725 4.071 258 HG2 ARG 32 HG2 ARG 32 -8.435 -10.413 3.360 259 HG3 ARG 32 HG1 ARG 32 -8.270 -9.757 4.989 260 HD2 ARG 32 HD2 ARG 32 -9.832 -7.996 4.510 261 HD3 ARG 32 HD1 ARG 32 -9.874 -8.414 2.800 262 HE ARG 32 HE ARG 32 -10.624 -10.583 4.437 263 HH11 ARG 32 HH11 ARG 32 -11.899 -7.496 3.179 264 HH12 ARG 32 HH12 ARG 32 -13.505 -8.027 3.101 265 HH21 ARG 32 HH21 ARG 32 -12.875 -11.329 4.274 266 HH22 ARG 32 HH22 ARG 32 -14.063 -10.255 3.689 267 H CYS 33 H CYS 33 -5.006 -8.535 1.169 268 HA CYS 33 HA CYS 33 -4.005 -5.910 1.456 269 HB2 CYS 33 HB2 CYS 33 -3.127 -8.034 -0.505 270 HB3 CYS 33 HB1 CYS 33 -2.176 -6.659 0.050 271 H GLN 34 H GLN 34 -5.484 -7.657 -1.212 272 HA GLN 34 HA GLN 34 -5.200 -5.587 -3.135 273 HB2 GLN 34 HB2 GLN 34 -6.948 -8.034 -3.030 274 HB3 GLN 34 HB1 GLN 34 -6.844 -6.975 -4.430 275 HG2 GLN 34 HG2 GLN 34 -4.498 -7.494 -4.698 276 HG3 GLN 34 HG1 GLN 34 -4.501 -8.422 -3.202 277 HE21 GLN 34 1HE2 GLN 34 -3.761 -10.256 -4.255 278 HE22 GLN 34 2HE2 GLN 34 -4.770 -11.197 -5.277 279 H GLN 35 H GLN 35 -7.664 -6.513 -0.860 280 HA GLN 35 HA GLN 35 -9.727 -4.763 -1.678 281 HB2 GLN 35 HB2 GLN 35 -9.058 -5.517 1.178 282 HB3 GLN 35 HB1 GLN 35 -10.591 -4.888 0.609 283 HG2 GLN 35 HG2 GLN 35 -9.393 -7.573 -0.041 284 HG3 GLN 35 HG1 GLN 35 -10.733 -7.259 1.058 285 HE21 GLN 35 1HE2 GLN 35 -9.732 -7.628 -2.214 286 HE22 GLN 35 2HE2 GLN 35 -11.300 -7.583 -2.910 287 H GLU 36 H GLU 36 -7.007 -4.354 0.548 288 HA GLU 36 HA GLU 36 -7.445 -1.693 1.289 289 HB2 GLU 36 HB2 GLU 36 -4.885 -3.221 0.972 290 HB3 GLU 36 HB1 GLU 36 -4.982 -1.632 1.695 291 HG2 GLU 36 HG2 GLU 36 -6.541 -2.632 3.396 292 HG3 GLU 36 HG1 GLU 36 -6.163 -4.206 2.696 293 H TYR 37 H TYR 37 -5.495 -3.077 -1.257 294 HA TYR 37 HA TYR 37 -4.571 -0.775 -2.477 295 HB2 TYR 37 HB2 TYR 37 -3.756 -2.994 -3.092 296 HB3 TYR 37 HB1 TYR 37 -5.322 -3.407 -3.771 297 HD1 TYR 37 HD1 TYR 37 -5.759 -3.011 -6.022 298 HD2 TYR 37 HD2 TYR 37 -2.471 -1.056 -4.179 299 HE1 TYR 37 HE1 TYR 37 -5.054 -2.160 -8.208 300 HE2 TYR 37 HE2 TYR 37 -1.750 -0.191 -6.365 301 HH TYR 37 HH TYR 37 -2.005 -0.674 -8.703 302 H GLN 38 H GLN 38 -7.694 -2.331 -2.861 303 HA GLN 38 HA GLN 38 -8.678 -0.620 -4.899 304 HB2 GLN 38 HB2 GLN 38 -10.159 -2.157 -2.776 305 HB3 GLN 38 HB1 GLN 38 -10.928 -1.346 -4.129 306 HG2 GLN 38 HG2 GLN 38 -9.767 -2.792 -5.679 307 HG3 GLN 38 HG1 GLN 38 -8.937 -3.583 -4.335 308 HE21 GLN 38 1HE2 GLN 38 -9.807 -5.566 -4.847 309 HE22 GLN 38 2HE2 GLN 38 -11.466 -5.940 -4.564 310 H ARG 39 H ARG 39 -8.752 -0.478 -1.389 311 HA ARG 39 HA ARG 39 -10.318 1.909 -1.184 312 HB2 ARG 39 HB2 ARG 39 -8.430 0.625 0.804 313 HB3 ARG 39 HB1 ARG 39 -9.564 1.907 1.183 314 HG2 ARG 39 HG2 ARG 39 -10.359 -0.819 0.174 315 HG3 ARG 39 HG1 ARG 39 -10.304 -0.363 1.875 316 HD2 ARG 39 HD2 ARG 39 -12.015 0.981 -0.227 317 HD3 ARG 39 HD1 ARG 39 -12.573 -0.244 0.912 318 HE ARG 39 HE ARG 39 -11.318 2.027 2.141 319 HH11 ARG 39 HH11 ARG 39 -14.427 0.786 0.975 320 HH12 ARG 39 HH12 ARG 39 -15.353 1.719 2.052 321 HH21 ARG 39 HH21 ARG 39 -12.551 3.274 3.560 322 HH22 ARG 39 HH22 ARG 39 -14.259 3.202 3.588 323 H GLU 40 H GLU 40 -7.066 1.232 -1.826 324 HA GLU 40 HA GLU 40 -5.938 3.798 -1.208 325 HB2 GLU 40 HB2 GLU 40 -5.002 1.391 -2.723 326 HB3 GLU 40 HB1 GLU 40 -4.053 2.862 -2.606 327 HG2 GLU 40 HG2 GLU 40 -5.004 1.333 -0.204 328 HG3 GLU 40 HG1 GLU 40 -3.458 1.030 -0.999 329 H LYS 41 H LYS 41 -7.389 2.246 -3.951 330 HA LYS 41 HA LYS 41 -6.645 4.410 -5.752 331 HB2 LYS 41 HB2 LYS 41 -8.448 2.024 -6.175 332 HB3 LYS 41 HB1 LYS 41 -8.051 3.194 -7.421 333 HG2 LYS 41 HG2 LYS 41 -5.669 2.541 -7.220 334 HG3 LYS 41 HG1 LYS 41 -6.137 1.312 -6.045 335 HD2 LYS 41 HD2 LYS 41 -7.127 1.462 -8.901 336 HD3 LYS 41 HD1 LYS 41 -5.854 0.393 -8.322 337 HE2 LYS 41 HE2 LYS 41 -7.422 -0.741 -6.859 338 HE3 LYS 41 HE1 LYS 41 -8.704 0.375 -7.319 339 HZ1 LYS 41 HZ1 LYS 41 -8.844 -1.739 -8.465 340 HZ2 LYS 41 HZ2 LYS 41 -7.347 -1.520 -9.172 341 HZ3 LYS 41 HZ3 LYS 41 -8.635 -0.481 -9.551 342 H GLY 42 H GLY 42 -9.539 3.013 -4.322 343 HA2 GLY 42 HA2 GLY 42 -11.026 5.415 -4.964 344 HA3 GLY 42 HA1 GLY 42 -11.673 3.894 -4.334 345 H GLN 43 H GLN 43 -10.032 6.815 -3.577 346 HA GLN 43 HA GLN 43 -9.663 6.272 -0.813 347 HB2 GLN 43 HB2 GLN 43 -9.732 8.892 -2.313 348 HB3 GLN 43 HB1 GLN 43 -9.294 8.732 -0.624 349 HG2 GLN 43 HG2 GLN 43 -7.815 7.366 -2.851 350 HG3 GLN 43 HG1 GLN 43 -7.399 8.971 -2.254 351 HE21 GLN 43 1HE2 GLN 43 -6.515 9.169 -0.210 352 HE22 GLN 43 2HE2 GLN 43 -5.828 7.834 0.628 353 H HIS 44 H HIS 44 -11.762 5.469 -0.321 354 HA HIS 44 HA HIS 44 -14.033 7.232 -0.211 355 HB2 HIS 44 HB2 HIS 44 -13.427 4.655 1.292 356 HB3 HIS 44 HB1 HIS 44 -14.932 5.538 1.457 357 HD1 HIS 44 HD1 HIS 44 -16.762 4.500 0.098 358 HD2 HIS 44 HD2 HIS 44 -13.023 3.944 -1.632 359 HE1 HIS 44 HE1 HIS 44 -17.138 3.109 -1.947 360 H GLN 45 H GLN 45 -11.728 5.918 2.090 361 HA GLN 45 HA GLN 45 -12.055 8.312 3.668 362 HB2 GLN 45 HB2 GLN 45 -11.255 5.526 4.512 363 HB3 GLN 45 HB1 GLN 45 -11.230 6.938 5.556 364 HG2 GLN 45 HG2 GLN 45 -13.667 7.179 5.234 365 HG3 GLN 45 HG1 GLN 45 -13.659 5.722 4.251 366 HE21 GLN 45 1HE2 GLN 45 -11.671 4.397 6.081 367 HE22 GLN 45 2HE2 GLN 45 -12.624 3.986 7.457 368 H GLY 46 H GLY 46 -10.538 9.501 2.707 369 HA2 GLY 46 HA2 GLY 46 -7.834 8.353 2.543 370 HA3 GLY 46 HA1 GLY 46 -8.448 9.589 1.447 371 H GLU 47 H GLU 47 -6.422 10.655 2.225 372 HA GLU 47 HA GLU 47 -6.638 11.742 4.911 373 HB2 GLU 47 HB2 GLU 47 -4.475 12.076 2.838 374 HB3 GLU 47 HB1 GLU 47 -4.395 12.626 4.504 375 HG2 GLU 47 HG2 GLU 47 -4.386 10.400 5.331 376 HG3 GLU 47 HG1 GLU 47 -4.758 9.752 3.738 377 H THR 48 H THR 48 -7.406 12.477 1.857 378 HA THR 48 HA THR 48 -7.755 15.344 2.500 379 HB THR 48 HB THR 48 -7.544 14.281 -0.326 380 HG1 THR 48 HG1 THR 48 -5.445 14.158 -0.161 381 HG21 THR 48 HG21 THR 48 -6.766 16.565 -0.785 382 HG22 THR 48 HG22 THR 48 -6.877 16.955 0.929 383 HG23 THR 48 HG23 THR 48 -8.340 16.594 0.011 384 H ASN 49 H ASN 49 -9.337 12.555 2.364 385 HA ASN 49 HA ASN 49 -11.845 13.741 1.497 386 HB2 ASN 49 HB2 ASN 49 -10.815 12.537 -0.476 387 HB3 ASN 49 HB1 ASN 49 -10.889 11.054 0.469 388 HD21 ASN 49 HD21 ASN 49 -12.952 10.212 0.977 389 HD22 ASN 49 HD22 ASN 49 -14.331 10.600 0.021 Start of MODEL 16 1 H1 ARG 1 HT1 ARG 1 10.935 1.971 -13.434 2 H2 ARG 1 HT2 ARG 1 9.338 1.714 -13.866 3 H3 ARG 1 HT3 ARG 1 10.561 0.958 -14.724 4 HA ARG 1 HA ARG 1 9.417 -0.563 -13.208 5 HB2 ARG 1 HB2 ARG 1 11.413 -1.522 -12.176 6 HB3 ARG 1 HB1 ARG 1 11.779 -0.985 -13.807 7 HG2 ARG 1 HG2 ARG 1 12.858 1.003 -12.931 8 HG3 ARG 1 HG1 ARG 1 12.426 0.526 -11.286 9 HD2 ARG 1 HD2 ARG 1 13.774 -1.489 -11.533 10 HD3 ARG 1 HD1 ARG 1 14.213 -0.993 -13.169 11 HE ARG 1 HE ARG 1 14.864 1.100 -11.500 12 HH11 ARG 1 HH11 ARG 1 15.835 -2.266 -11.894 13 HH12 ARG 1 HH12 ARG 1 17.434 -2.028 -11.376 14 HH21 ARG 1 HH21 ARG 1 17.054 1.457 -10.742 15 HH22 ARG 1 HH22 ARG 1 18.138 0.149 -10.698 16 H GLY 2 H GLY 2 8.974 2.253 -12.155 17 HA2 GLY 2 HA2 GLY 2 9.424 1.783 -9.322 18 HA3 GLY 2 HA1 GLY 2 9.059 3.330 -10.082 19 HA PRO 3 HA PRO 3 5.080 0.676 -9.531 20 HB2 PRO 3 HB2 PRO 3 4.897 -0.334 -7.043 21 HB3 PRO 3 HB1 PRO 3 5.653 -1.237 -8.363 22 HG2 PRO 3 HG2 PRO 3 6.911 0.295 -6.136 23 HG3 PRO 3 HG1 PRO 3 7.401 -1.243 -6.869 24 HD2 PRO 3 HD2 PRO 3 8.550 1.182 -7.438 25 HD3 PRO 3 HD1 PRO 3 8.566 -0.205 -8.543 26 H ASP 4 H ASP 4 3.174 1.344 -8.397 27 HA ASP 4 HA ASP 4 3.208 3.968 -7.343 28 HB2 ASP 4 HB2 ASP 4 1.195 2.959 -8.407 29 HB3 ASP 4 HB1 ASP 4 1.125 1.831 -7.035 30 H LYS 5 H LYS 5 2.477 4.475 -5.258 31 HA LYS 5 HA LYS 5 4.171 3.406 -3.244 32 HB2 LYS 5 HB2 LYS 5 2.991 4.897 -1.646 33 HB3 LYS 5 HB1 LYS 5 3.496 5.737 -3.102 34 HG2 LYS 5 HG2 LYS 5 1.262 5.746 -3.951 35 HG3 LYS 5 HG1 LYS 5 0.718 4.684 -2.655 36 HD2 LYS 5 HD2 LYS 5 1.239 6.441 -1.023 37 HD3 LYS 5 HD1 LYS 5 1.738 7.502 -2.345 38 HE2 LYS 5 HE2 LYS 5 -0.558 7.963 -1.607 39 HE3 LYS 5 HE1 LYS 5 -0.491 7.428 -3.285 40 HZ1 LYS 5 HZ1 LYS 5 -1.166 5.198 -2.540 41 HZ2 LYS 5 HZ2 LYS 5 -2.285 6.361 -2.146 42 HZ3 LYS 5 HZ3 LYS 5 -1.272 5.744 -0.947 43 H SER 6 H SER 6 0.700 2.993 -3.875 44 HA SER 6 HA SER 6 0.391 1.340 -1.562 45 HB2 SER 6 HB2 SER 6 -1.503 2.021 -3.802 46 HB3 SER 6 HB1 SER 6 -1.940 1.204 -2.300 47 HG SER 6 HG SER 6 -1.834 2.993 -1.231 48 H TYR 7 H TYR 7 1.207 0.977 -4.841 49 HA TYR 7 HA TYR 7 0.453 -1.785 -5.030 50 HB2 TYR 7 HB2 TYR 7 0.770 -0.320 -7.056 51 HB3 TYR 7 HB1 TYR 7 2.499 -0.313 -6.720 52 HD1 TYR 7 HD1 TYR 7 -0.354 -2.529 -7.507 53 HD2 TYR 7 HD2 TYR 7 3.861 -2.070 -7.501 54 HE1 TYR 7 HE1 TYR 7 -0.139 -4.594 -8.791 55 HE2 TYR 7 HE2 TYR 7 4.095 -4.144 -8.800 56 HH TYR 7 HH TYR 7 1.448 -5.660 -10.290 57 H LYS 8 H LYS 8 3.296 0.046 -4.224 58 HA LYS 8 HA LYS 8 5.122 -2.036 -3.890 59 HB2 LYS 8 HB2 LYS 8 5.643 0.372 -3.939 60 HB3 LYS 8 HB1 LYS 8 4.865 0.573 -2.380 61 HG2 LYS 8 HG2 LYS 8 6.572 -0.936 -1.396 62 HG3 LYS 8 HG1 LYS 8 7.376 -0.982 -2.966 63 HD2 LYS 8 HD2 LYS 8 6.867 1.477 -1.298 64 HD3 LYS 8 HD1 LYS 8 8.424 0.670 -1.493 65 HE2 LYS 8 HE2 LYS 8 8.349 1.185 -3.914 66 HE3 LYS 8 HE1 LYS 8 6.812 2.005 -3.675 67 HZ1 LYS 8 HZ1 LYS 8 8.614 3.586 -3.746 68 HZ2 LYS 8 HZ2 LYS 8 9.411 2.829 -2.497 69 HZ3 LYS 8 HZ3 LYS 8 7.943 3.594 -2.209 70 H ARG 9 H ARG 9 2.826 -0.477 -1.719 71 HA ARG 9 HA ARG 9 3.265 -1.959 0.632 72 HB2 ARG 9 HB2 ARG 9 0.796 -0.570 -0.380 73 HB3 ARG 9 HB1 ARG 9 0.957 -1.242 1.234 74 HG2 ARG 9 HG2 ARG 9 2.734 0.291 1.739 75 HG3 ARG 9 HG1 ARG 9 2.703 0.915 0.088 76 HD2 ARG 9 HD2 ARG 9 1.501 2.376 1.667 77 HD3 ARG 9 HD1 ARG 9 0.463 1.750 0.403 78 HE ARG 9 HE ARG 9 -0.244 0.045 2.090 79 HH11 ARG 9 HH11 ARG 9 1.018 3.136 3.211 80 HH12 ARG 9 HH12 ARG 9 -0.048 3.242 4.533 81 HH21 ARG 9 HH21 ARG 9 -1.678 0.181 3.885 82 HH22 ARG 9 HH22 ARG 9 -1.644 1.543 4.902 83 H LEU 10 H LEU 10 1.218 -2.501 -2.155 84 HA LEU 10 HA LEU 10 -0.264 -4.604 -1.166 85 HB2 LEU 10 HB2 LEU 10 -0.917 -3.534 -3.193 86 HB3 LEU 10 HB1 LEU 10 0.586 -3.961 -3.974 87 HG LEU 10 HG LEU 10 -0.037 -6.251 -4.107 88 HD11 LEU 10 HD11 LEU 10 -2.265 -7.043 -3.333 89 HD12 LEU 10 HD12 LEU 10 -2.485 -5.494 -2.496 90 HD13 LEU 10 HD13 LEU 10 -1.166 -6.582 -2.040 91 HD21 LEU 10 HD21 LEU 10 -1.998 -6.104 -5.537 92 HD22 LEU 10 HD22 LEU 10 -0.853 -4.798 -5.850 93 HD23 LEU 10 HD23 LEU 10 -2.322 -4.482 -4.925 94 H GLN 11 H GLN 11 2.800 -4.777 -2.995 95 HA GLN 11 HA GLN 11 3.042 -7.554 -2.669 96 HB2 GLN 11 HB2 GLN 11 5.163 -5.488 -3.114 97 HB3 GLN 11 HB1 GLN 11 5.596 -7.161 -2.808 98 HG2 GLN 11 HG2 GLN 11 5.641 -6.797 -5.153 99 HG3 GLN 11 HG1 GLN 11 4.227 -7.784 -4.799 100 HE21 GLN 11 1HE2 GLN 11 5.387 -4.683 -5.660 101 HE22 GLN 11 2HE2 GLN 11 3.880 -4.063 -6.255 102 H GLU 12 H GLU 12 4.146 -4.932 -0.585 103 HA GLU 12 HA GLU 12 5.497 -6.355 1.360 104 HB2 GLU 12 HB2 GLU 12 3.589 -4.042 1.670 105 HB3 GLU 12 HB1 GLU 12 4.604 -4.650 2.968 106 HG2 GLU 12 HG2 GLU 12 5.616 -3.571 0.358 107 HG3 GLU 12 HG1 GLU 12 5.490 -2.643 1.848 108 H CYS 13 H CYS 13 2.071 -5.622 1.229 109 HA CYS 13 HA CYS 13 1.293 -7.043 3.487 110 HB2 CYS 13 HB2 CYS 13 0.016 -5.226 2.329 111 HB3 CYS 13 HB1 CYS 13 -0.396 -6.389 1.078 112 H GLN 14 H GLN 14 1.085 -8.016 0.024 113 HA GLN 14 HA GLN 14 -0.048 -10.529 0.729 114 HB2 GLN 14 HB2 GLN 14 0.191 -11.186 -1.632 115 HB3 GLN 14 HB1 GLN 14 -0.613 -9.640 -1.433 116 HG2 GLN 14 HG2 GLN 14 1.283 -8.464 -2.118 117 HG3 GLN 14 HG1 GLN 14 2.307 -9.919 -2.139 118 HE21 GLN 14 1HE2 GLN 14 -0.050 -8.024 -3.726 119 HE22 GLN 14 2HE2 GLN 14 -0.112 -8.893 -5.207 120 H ARG 15 H ARG 15 3.315 -9.571 0.066 121 HA ARG 15 HA ARG 15 4.210 -12.259 -0.037 122 HB2 ARG 15 HB2 ARG 15 5.784 -9.751 0.626 123 HB3 ARG 15 HB1 ARG 15 6.490 -11.326 0.272 124 HG2 ARG 15 HG2 ARG 15 4.890 -9.630 -1.601 125 HG3 ARG 15 HG1 ARG 15 6.637 -9.816 -1.596 126 HD2 ARG 15 HD2 ARG 15 6.370 -12.200 -2.103 127 HD3 ARG 15 HD1 ARG 15 4.616 -12.004 -2.089 128 HE ARG 15 HE ARG 15 6.128 -10.310 -3.849 129 HH11 ARG 15 HH11 ARG 15 4.228 -13.279 -3.543 130 HH12 ARG 15 HH12 ARG 15 3.751 -13.345 -5.177 131 HH21 ARG 15 HH21 ARG 15 5.528 -10.425 -6.160 132 HH22 ARG 15 HH22 ARG 15 4.531 -11.694 -6.704 133 H ARG 16 H ARG 16 3.594 -10.005 2.562 134 HA ARG 16 HA ARG 16 4.743 -11.586 4.624 135 HB2 ARG 16 HB2 ARG 16 2.451 -9.612 4.702 136 HB3 ARG 16 HB1 ARG 16 3.014 -10.455 6.132 137 HG2 ARG 16 HG2 ARG 16 4.646 -8.575 4.444 138 HG3 ARG 16 HG1 ARG 16 3.853 -8.168 5.963 139 HD2 ARG 16 HD2 ARG 16 6.024 -10.242 5.613 140 HD3 ARG 16 HD1 ARG 16 6.226 -8.625 6.272 141 HE ARG 16 HE ARG 16 4.274 -10.270 7.648 142 HH11 ARG 16 HH11 ARG 16 7.664 -9.199 7.516 143 HH12 ARG 16 HH12 ARG 16 8.026 -9.621 9.110 144 HH21 ARG 16 HH21 ARG 16 4.739 -10.804 9.885 145 HH22 ARG 16 HH22 ARG 16 6.301 -10.564 10.506 146 H CYS 17 H CYS 17 1.538 -11.409 3.249 147 HA CYS 17 HA CYS 17 0.283 -13.349 4.769 148 HB2 CYS 17 HB2 CYS 17 -0.109 -12.661 1.868 149 HB3 CYS 17 HB1 CYS 17 -1.191 -13.686 2.794 150 H GLN 18 H GLN 18 2.335 -13.738 1.935 151 HA GLN 18 HA GLN 18 1.863 -16.504 1.602 152 HB2 GLN 18 HB2 GLN 18 4.135 -14.776 0.635 153 HB3 GLN 18 HB1 GLN 18 3.849 -16.435 0.113 154 HG2 GLN 18 HG2 GLN 18 1.597 -15.738 -0.638 155 HG3 GLN 18 HG1 GLN 18 2.013 -14.101 -0.224 156 HE21 GLN 18 1HE2 GLN 18 1.354 -15.387 -2.792 157 HE22 GLN 18 2HE2 GLN 18 2.596 -14.949 -3.877 158 H SER 19 H SER 19 3.861 -14.815 3.780 159 HA SER 19 HA SER 19 5.373 -17.238 4.369 160 HB2 SER 19 HB2 SER 19 5.695 -14.437 5.439 161 HB3 SER 19 HB1 SER 19 6.815 -15.780 5.663 162 HG SER 19 HG SER 19 6.981 -15.827 3.343 163 H GLU 20 H GLU 20 3.147 -14.900 5.848 164 HA GLU 20 HA GLU 20 3.233 -16.228 8.394 165 HB2 GLU 20 HB2 GLU 20 1.475 -13.972 7.456 166 HB3 GLU 20 HB1 GLU 20 1.687 -14.506 9.116 167 HG2 GLU 20 HG2 GLU 20 4.105 -13.910 8.909 168 HG3 GLU 20 HG1 GLU 20 3.736 -13.233 7.333 169 H GLN 21 H GLN 21 1.176 -16.372 5.565 170 HA GLN 21 HA GLN 21 -0.706 -18.009 7.091 171 HB2 GLN 21 HB2 GLN 21 -1.353 -16.072 4.867 172 HB3 GLN 21 HB1 GLN 21 -2.498 -17.179 5.596 173 HG2 GLN 21 HG2 GLN 21 -1.051 -15.031 7.130 174 HG3 GLN 21 HG1 GLN 21 -2.653 -14.834 6.430 175 HE21 GLN 21 1HE2 GLN 21 -0.809 -16.499 8.881 176 HE22 GLN 21 2HE2 GLN 21 -2.189 -16.937 9.816 177 H GLN 22 H GLN 22 -1.814 -19.601 5.761 178 HA GLN 22 HA GLN 22 -0.370 -20.383 3.311 179 HB2 GLN 22 HB2 GLN 22 -1.348 -22.289 5.433 180 HB3 GLN 22 HB1 GLN 22 -0.397 -22.670 4.017 181 HG2 GLN 22 HG2 GLN 22 1.483 -21.409 4.905 182 HG3 GLN 22 HG1 GLN 22 0.535 -20.995 6.315 183 HE21 GLN 22 1HE2 GLN 22 0.174 -22.486 7.895 184 HE22 GLN 22 2HE2 GLN 22 1.010 -23.990 7.977 185 H GLY 23 H GLY 23 -1.638 -21.595 1.874 186 HA2 GLY 23 HA2 GLY 23 -3.508 -22.046 0.629 187 HA3 GLY 23 HA1 GLY 23 -4.037 -22.832 2.091 188 H GLN 24 H GLN 24 -5.895 -22.240 2.836 189 HA GLN 24 HA GLN 24 -7.560 -20.385 1.584 190 HB2 GLN 24 HB2 GLN 24 -7.821 -21.668 4.311 191 HB3 GLN 24 HB1 GLN 24 -9.085 -20.734 3.539 192 HG2 GLN 24 HG2 GLN 24 -9.598 -23.038 3.267 193 HG3 GLN 24 HG1 GLN 24 -9.117 -22.412 1.700 194 HE21 GLN 24 1HE2 GLN 24 -8.656 -24.480 0.986 195 HE22 GLN 24 2HE2 GLN 24 -7.263 -25.360 1.480 196 H ARG 25 H ARG 25 -5.780 -20.209 4.638 197 HA ARG 25 HA ARG 25 -6.661 -17.695 5.470 198 HB2 ARG 25 HB2 ARG 25 -4.071 -19.157 5.925 199 HB3 ARG 25 HB1 ARG 25 -4.557 -17.710 6.795 200 HG2 ARG 25 HG2 ARG 25 -6.090 -20.288 6.773 201 HG3 ARG 25 HG1 ARG 25 -4.959 -19.819 8.036 202 HD2 ARG 25 HD2 ARG 25 -7.549 -18.480 7.239 203 HD3 ARG 25 HD1 ARG 25 -7.182 -19.263 8.776 204 HE ARG 25 HE ARG 25 -5.318 -17.331 8.637 205 HH11 ARG 25 HH11 ARG 25 -8.824 -17.215 8.290 206 HH12 ARG 25 HH12 ARG 25 -8.971 -15.603 8.802 207 HH21 ARG 25 HH21 ARG 25 -5.474 -15.165 9.317 208 HH22 ARG 25 HH22 ARG 25 -6.984 -14.377 9.434 209 H LEU 26 H LEU 26 -4.035 -18.709 3.409 210 HA LEU 26 HA LEU 26 -2.865 -16.164 3.049 211 HB2 LEU 26 HB2 LEU 26 -1.519 -17.940 2.565 212 HB3 LEU 26 HB1 LEU 26 -2.690 -18.744 1.522 213 HG LEU 26 HG LEU 26 -2.259 -17.002 -0.188 214 HD11 LEU 26 HD11 LEU 26 -0.214 -16.013 1.783 215 HD12 LEU 26 HD12 LEU 26 -1.668 -15.174 1.232 216 HD13 LEU 26 HD13 LEU 26 -0.359 -15.489 0.101 217 HD21 LEU 26 HD21 LEU 26 -0.003 -17.721 -0.787 218 HD22 LEU 26 HD22 LEU 26 -0.994 -19.073 -0.238 219 HD23 LEU 26 HD23 LEU 26 0.217 -18.373 0.837 220 H GLN 27 H GLN 27 -5.263 -17.948 1.182 221 HA GLN 27 HA GLN 27 -5.584 -16.208 -0.960 222 HB2 GLN 27 HB2 GLN 27 -7.770 -17.736 0.454 223 HB3 GLN 27 HB1 GLN 27 -7.897 -17.021 -1.139 224 HG2 GLN 27 HG2 GLN 27 -6.121 -18.546 -1.913 225 HG3 GLN 27 HG1 GLN 27 -6.130 -19.304 -0.319 226 HE21 GLN 27 1HE2 GLN 27 -7.896 -18.791 -3.237 227 HE22 GLN 27 2HE2 GLN 27 -9.056 -20.031 -3.015 228 H GLU 28 H GLU 28 -7.342 -16.240 2.112 229 HA GLU 28 HA GLU 28 -8.861 -13.929 1.633 230 HB2 GLU 28 HB2 GLU 28 -8.019 -15.135 4.267 231 HB3 GLU 28 HB1 GLU 28 -9.255 -13.902 4.071 232 HG2 GLU 28 HG2 GLU 28 -10.524 -15.481 2.650 233 HG3 GLU 28 HG1 GLU 28 -9.316 -16.708 3.008 234 H CYS 29 H CYS 29 -5.813 -14.406 3.336 235 HA CYS 29 HA CYS 29 -5.466 -11.851 4.342 236 HB2 CYS 29 HB2 CYS 29 -4.104 -13.854 4.938 237 HB3 CYS 29 HB1 CYS 29 -3.291 -13.720 3.390 238 H GLN 30 H GLN 30 -4.096 -13.165 1.282 239 HA GLN 30 HA GLN 30 -3.107 -10.591 0.589 240 HB2 GLN 30 HB2 GLN 30 -2.476 -11.502 -1.569 241 HB3 GLN 30 HB1 GLN 30 -2.025 -12.608 -0.285 242 HG2 GLN 30 HG2 GLN 30 -3.932 -13.998 -0.797 243 HG3 GLN 30 HG1 GLN 30 -4.421 -12.888 -2.087 244 HE21 GLN 30 1HE2 GLN 30 -2.201 -15.273 -1.064 245 HE22 GLN 30 2HE2 GLN 30 -1.489 -15.574 -2.614 246 H GLN 31 H GLN 31 -6.137 -12.184 -0.003 247 HA GLN 31 HA GLN 31 -7.093 -10.558 -2.084 248 HB2 GLN 31 HB2 GLN 31 -8.257 -12.611 -1.389 249 HB3 GLN 31 HB1 GLN 31 -8.632 -11.887 0.163 250 HG2 GLN 31 HG2 GLN 31 -10.575 -11.873 -1.294 251 HG3 GLN 31 HG1 GLN 31 -10.047 -10.233 -0.937 252 HE21 GLN 31 1HE2 GLN 31 -9.109 -9.024 -2.559 253 HE22 GLN 31 2HE2 GLN 31 -9.264 -9.449 -4.236 254 H ARG 32 H ARG 32 -7.176 -10.214 1.400 255 HA ARG 32 HA ARG 32 -8.654 -7.829 1.535 256 HB2 ARG 32 HB2 ARG 32 -6.571 -8.944 3.413 257 HB3 ARG 32 HB1 ARG 32 -7.639 -7.600 3.800 258 HG2 ARG 32 HG2 ARG 32 -9.563 -8.993 3.687 259 HG3 ARG 32 HG1 ARG 32 -8.625 -10.326 3.014 260 HD2 ARG 32 HD2 ARG 32 -7.349 -10.448 5.105 261 HD3 ARG 32 HD1 ARG 32 -8.356 -9.164 5.783 262 HE ARG 32 HE ARG 32 -10.132 -11.005 4.947 263 HH11 ARG 32 HH11 ARG 32 -7.257 -11.289 7.027 264 HH12 ARG 32 HH12 ARG 32 -7.934 -12.471 8.034 265 HH21 ARG 32 HH21 ARG 32 -11.054 -12.651 6.339 266 HH22 ARG 32 HH22 ARG 32 -10.138 -13.281 7.624 267 H CYS 33 H CYS 33 -5.207 -8.443 1.212 268 HA CYS 33 HA CYS 33 -4.294 -5.785 1.334 269 HB2 CYS 33 HB2 CYS 33 -3.143 -8.040 -0.328 270 HB3 CYS 33 HB1 CYS 33 -2.294 -6.597 0.209 271 H GLN 34 H GLN 34 -5.477 -7.765 -1.362 272 HA GLN 34 HA GLN 34 -5.008 -5.881 -3.414 273 HB2 GLN 34 HB2 GLN 34 -7.065 -8.089 -3.287 274 HB3 GLN 34 HB1 GLN 34 -6.624 -7.202 -4.736 275 HG2 GLN 34 HG2 GLN 34 -4.354 -8.092 -4.588 276 HG3 GLN 34 HG1 GLN 34 -4.796 -8.969 -3.124 277 HE21 GLN 34 1HE2 GLN 34 -3.840 -9.982 -5.656 278 HE22 GLN 34 2HE2 GLN 34 -5.043 -11.084 -6.220 279 H GLN 35 H GLN 35 -7.757 -6.504 -1.316 280 HA GLN 35 HA GLN 35 -9.596 -4.721 -2.502 281 HB2 GLN 35 HB2 GLN 35 -9.364 -5.498 0.419 282 HB3 GLN 35 HB1 GLN 35 -10.756 -4.722 -0.317 283 HG2 GLN 35 HG2 GLN 35 -9.716 -7.466 -0.985 284 HG3 GLN 35 HG1 GLN 35 -11.107 -7.108 0.032 285 HE21 GLN 35 1HE2 GLN 35 -9.874 -7.174 -3.209 286 HE22 GLN 35 2HE2 GLN 35 -11.382 -7.018 -4.003 287 H GLU 36 H GLU 36 -7.182 -4.279 0.028 288 HA GLU 36 HA GLU 36 -7.655 -1.572 0.555 289 HB2 GLU 36 HB2 GLU 36 -5.183 -3.228 0.744 290 HB3 GLU 36 HB1 GLU 36 -5.226 -1.543 1.224 291 HG2 GLU 36 HG2 GLU 36 -7.135 -2.216 2.767 292 HG3 GLU 36 HG1 GLU 36 -6.678 -3.884 2.409 293 H TYR 37 H TYR 37 -5.515 -3.134 -1.705 294 HA TYR 37 HA TYR 37 -4.409 -0.814 -2.800 295 HB2 TYR 37 HB2 TYR 37 -3.461 -3.040 -3.302 296 HB3 TYR 37 HB1 TYR 37 -4.884 -3.429 -4.267 297 HD1 TYR 37 HD1 TYR 37 -2.049 -1.093 -4.015 298 HD2 TYR 37 HD2 TYR 37 -5.002 -2.778 -6.543 299 HE1 TYR 37 HE1 TYR 37 -1.028 0.033 -5.921 300 HE2 TYR 37 HE2 TYR 37 -3.968 -1.670 -8.498 301 HH TYR 37 HH TYR 37 -2.551 0.397 -8.846 302 H GLN 38 H GLN 38 -7.418 -2.455 -3.537 303 HA GLN 38 HA GLN 38 -8.071 -0.912 -5.803 304 HB2 GLN 38 HB2 GLN 38 -9.928 -2.292 -3.856 305 HB3 GLN 38 HB1 GLN 38 -10.408 -1.653 -5.422 306 HG2 GLN 38 HG2 GLN 38 -8.947 -3.226 -6.542 307 HG3 GLN 38 HG1 GLN 38 -8.374 -3.826 -4.989 308 HE21 GLN 38 1HE2 GLN 38 -9.642 -5.281 -7.116 309 HE22 GLN 38 2HE2 GLN 38 -11.059 -5.995 -6.449 310 H ARG 39 H ARG 39 -8.542 -0.400 -2.387 311 HA ARG 39 HA ARG 39 -10.203 1.906 -2.497 312 HB2 ARG 39 HB2 ARG 39 -8.037 1.338 -0.478 313 HB3 ARG 39 HB1 ARG 39 -9.404 2.409 -0.268 314 HG2 ARG 39 HG2 ARG 39 -10.905 0.518 -0.209 315 HG3 ARG 39 HG1 ARG 39 -9.561 -0.582 -0.552 316 HD2 ARG 39 HD2 ARG 39 -8.435 0.268 1.505 317 HD3 ARG 39 HD1 ARG 39 -9.900 1.169 1.875 318 HE ARG 39 HE ARG 39 -10.796 -1.320 1.543 319 HH11 ARG 39 HH11 ARG 39 -8.126 -0.021 3.486 320 HH12 ARG 39 HH12 ARG 39 -8.269 -1.137 4.743 321 HH21 ARG 39 HH21 ARG 39 -11.003 -2.913 3.260 322 HH22 ARG 39 HH22 ARG 39 -9.972 -2.851 4.614 323 H GLU 40 H GLU 40 -6.737 1.402 -2.305 324 HA GLU 40 HA GLU 40 -6.155 4.210 -2.341 325 HB2 GLU 40 HB2 GLU 40 -4.403 1.785 -2.139 326 HB3 GLU 40 HB1 GLU 40 -3.812 3.438 -2.067 327 HG2 GLU 40 HG2 GLU 40 -5.186 3.841 -0.076 328 HG3 GLU 40 HG1 GLU 40 -5.778 2.184 -0.159 329 H LYS 41 H LYS 41 -6.723 2.086 -4.819 330 HA LYS 41 HA LYS 41 -4.689 3.199 -6.572 331 HB2 LYS 41 HB2 LYS 41 -5.587 1.789 -8.333 332 HB3 LYS 41 HB1 LYS 41 -5.464 0.824 -6.868 333 HG2 LYS 41 HG2 LYS 41 -7.824 1.021 -6.481 334 HG3 LYS 41 HG1 LYS 41 -7.983 2.120 -7.842 335 HD2 LYS 41 HD2 LYS 41 -7.257 0.344 -9.354 336 HD3 LYS 41 HD1 LYS 41 -7.154 -0.774 -7.986 337 HE2 LYS 41 HE2 LYS 41 -9.511 -0.537 -7.560 338 HE3 LYS 41 HE1 LYS 41 -9.644 0.711 -8.794 339 HZ1 LYS 41 HZ1 LYS 41 -10.436 -1.401 -9.603 340 HZ2 LYS 41 HZ2 LYS 41 -8.965 -2.144 -9.295 341 HZ3 LYS 41 HZ3 LYS 41 -9.077 -0.944 -10.462 342 H GLY 42 H GLY 42 -8.018 3.663 -5.772 343 HA2 GLY 42 HA2 GLY 42 -8.319 5.556 -7.965 344 HA3 GLY 42 HA1 GLY 42 -9.634 4.873 -7.010 345 H GLN 43 H GLN 43 -6.776 6.868 -6.730 346 HA GLN 43 HA GLN 43 -7.771 8.126 -4.331 347 HB2 GLN 43 HB2 GLN 43 -5.420 8.957 -6.038 348 HB3 GLN 43 HB1 GLN 43 -5.749 9.457 -4.388 349 HG2 GLN 43 HG2 GLN 43 -5.440 7.110 -3.665 350 HG3 GLN 43 HG1 GLN 43 -5.013 6.698 -5.321 351 HE21 GLN 43 1HE2 GLN 43 -3.105 7.478 -6.173 352 HE22 GLN 43 2HE2 GLN 43 -1.818 8.041 -5.185 353 H HIS 44 H HIS 44 -9.600 9.198 -4.825 354 HA HIS 44 HA HIS 44 -9.568 11.026 -7.080 355 HB2 HIS 44 HB2 HIS 44 -11.851 10.302 -5.219 356 HB3 HIS 44 HB1 HIS 44 -11.985 11.354 -6.622 357 HD1 HIS 44 HD1 HIS 44 -12.387 7.872 -5.631 358 HD2 HIS 44 HD2 HIS 44 -11.370 9.900 -9.116 359 HE1 HIS 44 HE1 HIS 44 -12.704 6.242 -7.490 360 H GLN 45 H GLN 45 -7.913 12.264 -6.002 361 HA GLN 45 HA GLN 45 -9.126 14.418 -4.523 362 HB2 GLN 45 HB2 GLN 45 -8.088 12.806 -2.904 363 HB3 GLN 45 HB1 GLN 45 -6.560 13.042 -3.732 364 HG2 GLN 45 HG2 GLN 45 -6.596 14.324 -1.764 365 HG3 GLN 45 HG1 GLN 45 -6.627 15.401 -3.162 366 HE21 GLN 45 1HE2 GLN 45 -9.477 13.668 -1.993 367 HE22 GLN 45 2HE2 GLN 45 -10.321 15.066 -1.461 368 H GLY 46 H GLY 46 -8.825 15.897 -6.045 369 HA2 GLY 46 HA2 GLY 46 -6.518 17.139 -6.758 370 HA3 GLY 46 HA1 GLY 46 -6.648 15.819 -7.918 371 H GLU 47 H GLU 47 -9.126 17.730 -6.393 372 HA GLU 47 HA GLU 47 -10.663 17.914 -8.742 373 HB2 GLU 47 HB2 GLU 47 -11.692 17.833 -6.563 374 HB3 GLU 47 HB1 GLU 47 -10.836 19.277 -6.063 375 HG2 GLU 47 HG2 GLU 47 -12.121 20.606 -7.623 376 HG3 GLU 47 HG1 GLU 47 -12.941 19.156 -8.205 377 H THR 48 H THR 48 -10.647 19.466 -10.296 378 HA THR 48 HA THR 48 -8.755 21.583 -10.005 379 HB THR 48 HB THR 48 -9.524 22.194 -12.363 380 HG1 THR 48 HG1 THR 48 -11.448 21.275 -12.614 381 HG21 THR 48 HG21 THR 48 -8.331 20.307 -13.403 382 HG22 THR 48 HG22 THR 48 -8.465 19.398 -11.898 383 HG23 THR 48 HG23 THR 48 -7.498 20.871 -11.955 384 H ASN 49 H ASN 49 -9.723 22.602 -8.279 385 HA ASN 49 HA ASN 49 -11.491 24.698 -9.026 386 HB2 ASN 49 HB2 ASN 49 -13.126 22.915 -8.440 387 HB3 ASN 49 HB1 ASN 49 -12.339 22.733 -6.876 388 HD21 ASN 49 HD21 ASN 49 -12.917 25.815 -8.488 389 HD22 ASN 49 HD22 ASN 49 -14.041 26.385 -7.318 Start of MODEL 17 1 H1 ARG 1 HT1 ARG 1 7.347 6.935 -8.717 2 H2 ARG 1 HT2 ARG 1 8.354 8.259 -8.878 3 H3 ARG 1 HT3 ARG 1 8.670 7.083 -7.696 4 HA ARG 1 HA ARG 1 8.782 6.609 -10.612 5 HB2 ARG 1 HB2 ARG 1 11.030 6.499 -8.567 6 HB3 ARG 1 HB1 ARG 1 11.179 6.264 -10.291 7 HG2 ARG 1 HG2 ARG 1 10.622 8.850 -8.846 8 HG3 ARG 1 HG1 ARG 1 12.098 8.389 -9.671 9 HD2 ARG 1 HD2 ARG 1 9.416 8.860 -10.965 10 HD3 ARG 1 HD1 ARG 1 10.799 9.945 -11.017 11 HE ARG 1 HE ARG 1 11.782 7.667 -12.056 12 HH11 ARG 1 HH11 ARG 1 8.991 9.684 -12.830 13 HH12 ARG 1 HH12 ARG 1 8.887 9.233 -14.462 14 HH21 ARG 1 HH21 ARG 1 11.703 7.041 -14.333 15 HH22 ARG 1 HH22 ARG 1 10.507 7.669 -15.351 16 H GLY 2 H GLY 2 9.641 4.362 -11.016 17 HA2 GLY 2 HA2 GLY 2 9.804 2.095 -10.512 18 HA3 GLY 2 HA1 GLY 2 9.647 2.537 -8.822 19 HA PRO 3 HA PRO 3 5.676 0.532 -9.882 20 HB2 PRO 3 HB2 PRO 3 5.410 -0.714 -7.470 21 HB3 PRO 3 HB1 PRO 3 6.292 -1.428 -8.824 22 HG2 PRO 3 HG2 PRO 3 7.341 -0.004 -6.419 23 HG3 PRO 3 HG1 PRO 3 7.985 -1.434 -7.242 24 HD2 PRO 3 HD2 PRO 3 9.004 1.069 -7.570 25 HD3 PRO 3 HD1 PRO 3 9.077 -0.163 -8.837 26 H ASP 4 H ASP 4 3.648 0.981 -9.036 27 HA ASP 4 HA ASP 4 3.207 3.550 -7.989 28 HB2 ASP 4 HB2 ASP 4 1.352 1.166 -8.117 29 HB3 ASP 4 HB1 ASP 4 0.849 2.779 -7.648 30 H LYS 5 H LYS 5 2.427 4.190 -5.974 31 HA LYS 5 HA LYS 5 3.529 2.958 -3.726 32 HB2 LYS 5 HB2 LYS 5 2.075 4.459 -2.365 33 HB3 LYS 5 HB1 LYS 5 2.968 5.297 -3.618 34 HG2 LYS 5 HG2 LYS 5 0.928 5.376 -5.000 35 HG3 LYS 5 HG1 LYS 5 0.044 4.550 -3.715 36 HD2 LYS 5 HD2 LYS 5 0.442 6.378 -2.197 37 HD3 LYS 5 HD1 LYS 5 1.487 7.171 -3.369 38 HE2 LYS 5 HE2 LYS 5 -0.660 8.256 -3.354 39 HE3 LYS 5 HE1 LYS 5 -0.439 7.422 -4.882 40 HZ1 LYS 5 HZ1 LYS 5 -1.906 5.647 -4.094 41 HZ2 LYS 5 HZ2 LYS 5 -2.676 7.129 -3.948 42 HZ3 LYS 5 HZ3 LYS 5 -2.034 6.398 -2.594 43 H SER 6 H SER 6 0.347 2.700 -5.144 44 HA SER 6 HA SER 6 -0.927 1.188 -3.192 45 HB2 SER 6 HB2 SER 6 -1.392 1.024 -6.148 46 HB3 SER 6 HB1 SER 6 -2.577 0.945 -4.841 47 HG SER 6 HG SER 6 -2.180 3.025 -6.136 48 H TYR 7 H TYR 7 1.049 0.338 -5.979 49 HA TYR 7 HA TYR 7 0.474 -2.466 -5.790 50 HB2 TYR 7 HB2 TYR 7 0.860 -1.288 -7.953 51 HB3 TYR 7 HB1 TYR 7 2.533 -1.053 -7.469 52 HD1 TYR 7 HD1 TYR 7 0.010 -3.717 -8.082 53 HD2 TYR 7 HD2 TYR 7 4.127 -2.677 -7.968 54 HE1 TYR 7 HE1 TYR 7 0.581 -5.906 -9.044 55 HE2 TYR 7 HE2 TYR 7 4.711 -4.860 -8.927 56 HH TYR 7 HH TYR 7 2.412 -6.901 -10.315 57 H LYS 8 H LYS 8 3.161 -0.343 -4.867 58 HA LYS 8 HA LYS 8 4.799 -2.540 -4.217 59 HB2 LYS 8 HB2 LYS 8 6.340 -0.931 -3.233 60 HB3 LYS 8 HB1 LYS 8 5.689 -0.368 -4.772 61 HG2 LYS 8 HG2 LYS 8 4.168 1.114 -3.624 62 HG3 LYS 8 HG1 LYS 8 4.805 0.602 -2.064 63 HD2 LYS 8 HD2 LYS 8 6.468 1.883 -4.244 64 HD3 LYS 8 HD1 LYS 8 5.764 2.767 -2.895 65 HE2 LYS 8 HE2 LYS 8 7.689 0.461 -2.585 66 HE3 LYS 8 HE1 LYS 8 8.189 2.143 -2.621 67 HZ1 LYS 8 HZ1 LYS 8 6.798 2.531 -0.643 68 HZ2 LYS 8 HZ2 LYS 8 7.965 1.371 -0.348 69 HZ3 LYS 8 HZ3 LYS 8 6.382 0.901 -0.602 70 H ARG 9 H ARG 9 2.431 -0.683 -2.397 71 HA ARG 9 HA ARG 9 3.082 -1.920 0.073 72 HB2 ARG 9 HB2 ARG 9 0.496 -0.654 -0.829 73 HB3 ARG 9 HB1 ARG 9 0.779 -1.226 0.806 74 HG2 ARG 9 HG2 ARG 9 2.750 0.390 0.841 75 HG3 ARG 9 HG1 ARG 9 2.054 1.076 -0.630 76 HD2 ARG 9 HD2 ARG 9 1.264 2.326 1.276 77 HD3 ARG 9 HD1 ARG 9 -0.072 1.402 0.579 78 HE ARG 9 HE ARG 9 1.279 -0.015 2.643 79 HH11 ARG 9 HH11 ARG 9 -1.268 2.429 2.105 80 HH12 ARG 9 HH12 ARG 9 -2.031 2.137 3.586 81 HH21 ARG 9 HH21 ARG 9 0.197 -0.381 4.702 82 HH22 ARG 9 HH22 ARG 9 -1.225 0.485 5.058 83 H LEU 10 H LEU 10 0.932 -2.702 -2.559 84 HA LEU 10 HA LEU 10 -0.335 -4.933 -1.476 85 HB2 LEU 10 HB2 LEU 10 -1.115 -4.079 -3.570 86 HB3 LEU 10 HB1 LEU 10 0.452 -4.292 -4.317 87 HG LEU 10 HG LEU 10 0.171 -6.711 -4.306 88 HD11 LEU 10 HD11 LEU 10 -1.089 -7.062 -2.336 89 HD12 LEU 10 HD12 LEU 10 -2.007 -7.718 -3.695 90 HD13 LEU 10 HD13 LEU 10 -2.476 -6.174 -2.973 91 HD21 LEU 10 HD21 LEU 10 -1.671 -6.887 -5.916 92 HD22 LEU 10 HD22 LEU 10 -0.642 -5.489 -6.233 93 HD23 LEU 10 HD23 LEU 10 -2.212 -5.272 -5.459 94 H GLN 11 H GLN 11 2.705 -4.719 -3.257 95 HA GLN 11 HA GLN 11 3.511 -7.372 -3.276 96 HB2 GLN 11 HB2 GLN 11 5.267 -4.952 -2.829 97 HB3 GLN 11 HB1 GLN 11 5.822 -6.541 -3.319 98 HG2 GLN 11 HG2 GLN 11 4.666 -6.339 -5.413 99 HG3 GLN 11 HG1 GLN 11 3.981 -4.792 -4.914 100 HE21 GLN 11 1HE2 GLN 11 4.904 -3.649 -6.515 101 HE22 GLN 11 2HE2 GLN 11 6.601 -3.369 -6.679 102 H GLU 12 H GLU 12 4.101 -4.935 -0.777 103 HA GLU 12 HA GLU 12 5.541 -6.572 1.003 104 HB2 GLU 12 HB2 GLU 12 3.884 -4.105 1.468 105 HB3 GLU 12 HB1 GLU 12 4.915 -4.841 2.686 106 HG2 GLU 12 HG2 GLU 12 5.930 -3.892 0.023 107 HG3 GLU 12 HG1 GLU 12 5.869 -2.877 1.462 108 H CYS 13 H CYS 13 2.130 -5.686 0.869 109 HA CYS 13 HA CYS 13 1.301 -7.021 3.172 110 HB2 CYS 13 HB2 CYS 13 -0.020 -5.313 1.947 111 HB3 CYS 13 HB1 CYS 13 -0.322 -6.492 0.681 112 H GLN 14 H GLN 14 1.288 -8.143 -0.224 113 HA GLN 14 HA GLN 14 0.257 -10.645 0.555 114 HB2 GLN 14 HB2 GLN 14 0.824 -11.447 -1.743 115 HB3 GLN 14 HB1 GLN 14 -0.202 -10.027 -1.691 116 HG2 GLN 14 HG2 GLN 14 1.582 -8.624 -2.291 117 HG3 GLN 14 HG1 GLN 14 2.768 -9.940 -2.162 118 HE21 GLN 14 1HE2 GLN 14 0.208 -8.527 -3.995 119 HE22 GLN 14 2HE2 GLN 14 0.477 -9.451 -5.431 120 H ARG 15 H ARG 15 3.567 -9.502 0.097 121 HA ARG 15 HA ARG 15 4.885 -11.952 0.346 122 HB2 ARG 15 HB2 ARG 15 5.605 -9.159 1.156 123 HB3 ARG 15 HB1 ARG 15 6.643 -10.490 1.632 124 HG2 ARG 15 HG2 ARG 15 5.869 -10.081 -1.236 125 HG3 ARG 15 HG1 ARG 15 7.197 -9.180 -0.507 126 HD2 ARG 15 HD2 ARG 15 8.061 -11.135 -1.635 127 HD3 ARG 15 HD1 ARG 15 8.284 -11.302 0.098 128 HE ARG 15 HE ARG 15 6.071 -12.627 -1.327 129 HH11 ARG 15 HH11 ARG 15 8.830 -12.822 0.912 130 HH12 ARG 15 HH12 ARG 15 8.691 -14.493 1.155 131 HH21 ARG 15 HH21 ARG 15 5.902 -14.916 -0.993 132 HH22 ARG 15 HH22 ARG 15 6.989 -15.739 0.021 133 H ARG 16 H ARG 16 3.601 -9.819 2.824 134 HA ARG 16 HA ARG 16 4.424 -11.395 5.016 135 HB2 ARG 16 HB2 ARG 16 2.129 -9.436 4.790 136 HB3 ARG 16 HB1 ARG 16 2.665 -10.161 6.297 137 HG2 ARG 16 HG2 ARG 16 4.355 -8.397 4.537 138 HG3 ARG 16 HG1 ARG 16 3.480 -7.858 5.970 139 HD2 ARG 16 HD2 ARG 16 5.651 -9.959 5.917 140 HD3 ARG 16 HD1 ARG 16 5.852 -8.294 6.451 141 HE ARG 16 HE ARG 16 3.851 -9.153 8.004 142 HH11 ARG 16 HH11 ARG 16 6.997 -10.586 7.300 143 HH12 ARG 16 HH12 ARG 16 7.194 -11.292 8.837 144 HH21 ARG 16 HH21 ARG 16 4.116 -10.059 10.114 145 HH22 ARG 16 HH22 ARG 16 5.492 -10.984 10.509 146 H CYS 17 H CYS 17 1.385 -11.241 3.279 147 HA CYS 17 HA CYS 17 0.040 -13.221 4.676 148 HB2 CYS 17 HB2 CYS 17 -0.122 -12.488 1.771 149 HB3 CYS 17 HB1 CYS 17 -1.255 -13.554 2.584 150 H GLN 18 H GLN 18 2.335 -13.549 2.026 151 HA GLN 18 HA GLN 18 1.916 -16.346 1.679 152 HB2 GLN 18 HB2 GLN 18 4.195 -14.584 0.817 153 HB3 GLN 18 HB1 GLN 18 3.931 -16.236 0.275 154 HG2 GLN 18 HG2 GLN 18 1.753 -15.542 -0.629 155 HG3 GLN 18 HG1 GLN 18 2.098 -13.919 -0.121 156 HE21 GLN 18 1HE2 GLN 18 1.711 -15.038 -2.821 157 HE22 GLN 18 2HE2 GLN 18 3.085 -14.503 -3.712 158 H SER 19 H SER 19 3.603 -14.587 4.000 159 HA SER 19 HA SER 19 5.410 -16.812 4.524 160 HB2 SER 19 HB2 SER 19 5.324 -14.060 5.773 161 HB3 SER 19 HB1 SER 19 6.598 -15.268 5.964 162 HG SER 19 HG SER 19 5.862 -13.862 3.608 163 H GLU 20 H GLU 20 3.000 -14.740 6.165 164 HA GLU 20 HA GLU 20 3.062 -16.314 8.543 165 HB2 GLU 20 HB2 GLU 20 1.237 -14.103 7.648 166 HB3 GLU 20 HB1 GLU 20 1.417 -14.714 9.290 167 HG2 GLU 20 HG2 GLU 20 3.664 -13.534 7.712 168 HG3 GLU 20 HG1 GLU 20 2.632 -12.573 8.752 169 H GLN 21 H GLN 21 1.166 -16.313 5.580 170 HA GLN 21 HA GLN 21 -0.786 -18.068 6.868 171 HB2 GLN 21 HB2 GLN 21 -1.281 -16.006 4.718 172 HB3 GLN 21 HB1 GLN 21 -2.480 -17.101 5.381 173 HG2 GLN 21 HG2 GLN 21 -1.006 -15.093 7.064 174 HG3 GLN 21 HG1 GLN 21 -2.531 -14.737 6.264 175 HE21 GLN 21 1HE2 GLN 21 -0.992 -16.645 8.739 176 HE22 GLN 21 2HE2 GLN 21 -2.454 -17.011 9.569 177 H GLN 22 H GLN 22 -1.785 -19.565 5.366 178 HA GLN 22 HA GLN 22 -0.602 -19.888 2.776 179 HB2 GLN 22 HB2 GLN 22 -0.080 -22.299 3.203 180 HB3 GLN 22 HB1 GLN 22 0.995 -21.167 3.999 181 HG2 GLN 22 HG2 GLN 22 -0.231 -21.524 6.096 182 HG3 GLN 22 HG1 GLN 22 -1.275 -22.678 5.264 183 HE21 GLN 22 1HE2 GLN 22 1.920 -22.061 6.449 184 HE22 GLN 22 2HE2 GLN 22 2.473 -23.684 6.387 185 H GLY 23 H GLY 23 -1.675 -21.540 1.565 186 HA2 GLY 23 HA2 GLY 23 -3.563 -22.478 0.675 187 HA3 GLY 23 HA1 GLY 23 -3.914 -22.995 2.314 188 H GLN 24 H GLN 24 -5.742 -22.357 3.085 189 HA GLN 24 HA GLN 24 -7.511 -20.645 1.660 190 HB2 GLN 24 HB2 GLN 24 -8.311 -22.583 2.911 191 HB3 GLN 24 HB1 GLN 24 -7.702 -21.893 4.405 192 HG2 GLN 24 HG2 GLN 24 -9.296 -20.035 4.173 193 HG3 GLN 24 HG1 GLN 24 -9.934 -20.792 2.713 194 HE21 GLN 24 1HE2 GLN 24 -11.237 -20.194 5.247 195 HE22 GLN 24 2HE2 GLN 24 -11.845 -21.693 5.840 196 H ARG 25 H ARG 25 -5.545 -20.367 4.557 197 HA ARG 25 HA ARG 25 -6.626 -17.869 5.344 198 HB2 ARG 25 HB2 ARG 25 -4.006 -19.179 6.009 199 HB3 ARG 25 HB1 ARG 25 -4.721 -17.819 6.874 200 HG2 ARG 25 HG2 ARG 25 -5.948 -20.540 6.587 201 HG3 ARG 25 HG1 ARG 25 -5.101 -19.964 8.015 202 HD2 ARG 25 HD2 ARG 25 -6.784 -18.143 8.214 203 HD3 ARG 25 HD1 ARG 25 -7.606 -18.783 6.797 204 HE ARG 25 HE ARG 25 -7.262 -20.646 8.936 205 HH11 ARG 25 HH11 ARG 25 -9.392 -18.195 7.455 206 HH12 ARG 25 HH12 ARG 25 -10.779 -18.696 8.295 207 HH21 ARG 25 HH21 ARG 25 -9.195 -21.379 10.020 208 HH22 ARG 25 HH22 ARG 25 -10.680 -20.593 9.764 209 H LEU 26 H LEU 26 -4.165 -18.857 3.171 210 HA LEU 26 HA LEU 26 -2.918 -16.332 2.893 211 HB2 LEU 26 HB2 LEU 26 -1.724 -18.184 2.212 212 HB3 LEU 26 HB1 LEU 26 -2.973 -18.756 1.108 213 HG LEU 26 HG LEU 26 -2.454 -16.801 -0.350 214 HD11 LEU 26 HD11 LEU 26 -0.390 -15.535 0.081 215 HD12 LEU 26 HD12 LEU 26 -0.273 -16.308 1.672 216 HD13 LEU 26 HD13 LEU 26 -1.638 -15.265 1.290 217 HD21 LEU 26 HD21 LEU 26 -1.393 -18.958 -0.759 218 HD22 LEU 26 HD22 LEU 26 -0.093 -18.529 0.351 219 HD23 LEU 26 HD23 LEU 26 -0.300 -17.629 -1.150 220 H GLN 27 H GLN 27 -5.529 -17.938 1.106 221 HA GLN 27 HA GLN 27 -5.748 -15.888 -0.823 222 HB2 GLN 27 HB2 GLN 27 -7.875 -16.845 -1.503 223 HB3 GLN 27 HB1 GLN 27 -6.734 -18.137 -1.184 224 HG2 GLN 27 HG2 GLN 27 -7.785 -18.580 0.940 225 HG3 GLN 27 HG1 GLN 27 -8.871 -17.219 0.711 226 HE21 GLN 27 1HE2 GLN 27 -10.675 -18.466 0.870 227 HE22 GLN 27 2HE2 GLN 27 -11.162 -19.580 -0.352 228 H GLU 28 H GLU 28 -7.236 -16.296 2.327 229 HA GLU 28 HA GLU 28 -9.078 -14.149 2.134 230 HB2 GLU 28 HB2 GLU 28 -7.704 -15.182 4.620 231 HB3 GLU 28 HB1 GLU 28 -9.174 -14.227 4.564 232 HG2 GLU 28 HG2 GLU 28 -10.289 -16.089 3.399 233 HG3 GLU 28 HG1 GLU 28 -8.817 -17.042 3.580 234 H CYS 29 H CYS 29 -5.803 -14.445 3.356 235 HA CYS 29 HA CYS 29 -5.519 -11.824 4.303 236 HB2 CYS 29 HB2 CYS 29 -4.099 -13.795 4.936 237 HB3 CYS 29 HB1 CYS 29 -3.328 -13.676 3.366 238 H GLN 30 H GLN 30 -4.273 -13.317 1.255 239 HA GLN 30 HA GLN 30 -3.318 -10.798 0.417 240 HB2 GLN 30 HB2 GLN 30 -2.850 -11.781 -1.786 241 HB3 GLN 30 HB1 GLN 30 -2.229 -12.747 -0.462 242 HG2 GLN 30 HG2 GLN 30 -4.034 -14.322 -0.727 243 HG3 GLN 30 HG1 GLN 30 -4.756 -13.323 -1.992 244 HE21 GLN 30 1HE2 GLN 30 -1.296 -13.799 -1.689 245 HE22 GLN 30 2HE2 GLN 30 -1.115 -14.745 -3.109 246 H GLN 31 H GLN 31 -6.452 -12.232 0.063 247 HA GLN 31 HA GLN 31 -7.409 -10.534 -1.980 248 HB2 GLN 31 HB2 GLN 31 -8.703 -12.469 -1.210 249 HB3 GLN 31 HB1 GLN 31 -8.899 -11.729 0.371 250 HG2 GLN 31 HG2 GLN 31 -10.163 -9.884 -0.691 251 HG3 GLN 31 HG1 GLN 31 -10.033 -10.726 -2.232 252 HE21 GLN 31 1HE2 GLN 31 -10.374 -13.357 -1.024 253 HE22 GLN 31 2HE2 GLN 31 -12.035 -13.472 -0.598 254 H ARG 32 H ARG 32 -7.096 -10.160 1.508 255 HA ARG 32 HA ARG 32 -8.353 -7.641 1.697 256 HB2 ARG 32 HB2 ARG 32 -6.247 -8.924 3.440 257 HB3 ARG 32 HB1 ARG 32 -7.033 -7.407 3.837 258 HG2 ARG 32 HG2 ARG 32 -9.209 -8.599 3.811 259 HG3 ARG 32 HG1 ARG 32 -8.328 -10.106 3.566 260 HD2 ARG 32 HD2 ARG 32 -7.920 -8.248 5.904 261 HD3 ARG 32 HD1 ARG 32 -8.953 -9.669 5.931 262 HE ARG 32 HE ARG 32 -7.004 -11.023 5.600 263 HH11 ARG 32 HH11 ARG 32 -6.363 -7.677 6.609 264 HH12 ARG 32 HH12 ARG 32 -4.879 -8.047 7.346 265 HH21 ARG 32 HH21 ARG 32 -4.947 -11.513 6.703 266 HH22 ARG 32 HH22 ARG 32 -4.054 -10.245 7.382 267 H CYS 33 H CYS 33 -5.098 -8.627 0.966 268 HA CYS 33 HA CYS 33 -3.924 -6.071 0.950 269 HB2 CYS 33 HB2 CYS 33 -3.175 -8.498 -0.680 270 HB3 CYS 33 HB1 CYS 33 -2.150 -7.097 -0.380 271 H GLN 34 H GLN 34 -5.774 -7.853 -1.450 272 HA GLN 34 HA GLN 34 -5.284 -6.097 -3.636 273 HB2 GLN 34 HB2 GLN 34 -7.689 -7.851 -3.136 274 HB3 GLN 34 HB1 GLN 34 -7.233 -7.140 -4.674 275 HG2 GLN 34 HG2 GLN 34 -5.142 -8.471 -4.593 276 HG3 GLN 34 HG1 GLN 34 -5.753 -9.229 -3.123 277 HE21 GLN 34 1HE2 GLN 34 -6.099 -8.943 -6.526 278 HE22 GLN 34 2HE2 GLN 34 -7.134 -10.305 -6.751 279 H GLN 35 H GLN 35 -7.658 -6.310 -1.108 280 HA GLN 35 HA GLN 35 -9.328 -4.189 -1.884 281 HB2 GLN 35 HB2 GLN 35 -8.644 -5.160 0.897 282 HB3 GLN 35 HB1 GLN 35 -9.949 -4.044 0.528 283 HG2 GLN 35 HG2 GLN 35 -9.728 -6.883 -0.450 284 HG3 GLN 35 HG1 GLN 35 -10.760 -6.325 0.863 285 HE21 GLN 35 1HE2 GLN 35 -10.299 -6.461 -2.558 286 HE22 GLN 35 2HE2 GLN 35 -11.848 -5.871 -3.012 287 H GLU 36 H GLU 36 -6.589 -4.209 0.404 288 HA GLU 36 HA GLU 36 -6.326 -1.501 0.803 289 HB2 GLU 36 HB2 GLU 36 -4.510 -3.838 0.959 290 HB3 GLU 36 HB1 GLU 36 -3.761 -2.252 0.926 291 HG2 GLU 36 HG2 GLU 36 -4.161 -3.222 3.194 292 HG3 GLU 36 HG1 GLU 36 -4.801 -1.605 2.943 293 H TYR 37 H TYR 37 -4.987 -3.450 -1.827 294 HA TYR 37 HA TYR 37 -3.450 -1.527 -3.136 295 HB2 TYR 37 HB2 TYR 37 -3.331 -3.842 -3.812 296 HB3 TYR 37 HB1 TYR 37 -5.032 -3.856 -4.241 297 HD1 TYR 37 HD1 TYR 37 -1.864 -2.087 -5.182 298 HD2 TYR 37 HD2 TYR 37 -5.592 -3.672 -6.483 299 HE1 TYR 37 HE1 TYR 37 -1.270 -1.566 -7.509 300 HE2 TYR 37 HE2 TYR 37 -5.006 -3.154 -8.813 301 HH TYR 37 HH TYR 37 -1.854 -2.277 -9.763 302 H GLN 38 H GLN 38 -6.857 -2.268 -3.594 303 HA GLN 38 HA GLN 38 -7.272 -0.221 -5.528 304 HB2 GLN 38 HB2 GLN 38 -9.248 -1.712 -3.807 305 HB3 GLN 38 HB1 GLN 38 -9.674 -0.699 -5.182 306 HG2 GLN 38 HG2 GLN 38 -8.452 -2.165 -6.680 307 HG3 GLN 38 HG1 GLN 38 -7.938 -3.154 -5.319 308 HE21 GLN 38 1HE2 GLN 38 -10.562 -2.973 -4.024 309 HE22 GLN 38 2HE2 GLN 38 -11.587 -4.034 -4.920 310 H ARG 39 H ARG 39 -7.489 -0.375 -2.060 311 HA ARG 39 HA ARG 39 -8.832 2.101 -1.690 312 HB2 ARG 39 HB2 ARG 39 -7.174 0.416 0.181 313 HB3 ARG 39 HB1 ARG 39 -7.975 1.898 0.683 314 HG2 ARG 39 HG2 ARG 39 -10.132 0.983 0.196 315 HG3 ARG 39 HG1 ARG 39 -9.410 -0.442 -0.542 316 HD2 ARG 39 HD2 ARG 39 -8.522 -1.130 1.611 317 HD3 ARG 39 HD1 ARG 39 -9.162 0.330 2.367 318 HE ARG 39 HE ARG 39 -11.379 -0.596 1.445 319 HH11 ARG 39 HH11 ARG 39 -8.805 -2.565 2.923 320 HH12 ARG 39 HH12 ARG 39 -9.864 -3.763 3.463 321 HH21 ARG 39 HH21 ARG 39 -12.800 -2.247 2.204 322 HH22 ARG 39 HH22 ARG 39 -12.204 -3.601 3.039 323 H GLU 40 H GLU 40 -5.477 1.230 -1.989 324 HA GLU 40 HA GLU 40 -4.549 3.852 -1.357 325 HB2 GLU 40 HB2 GLU 40 -3.146 1.544 -2.695 326 HB3 GLU 40 HB1 GLU 40 -2.360 3.041 -2.220 327 HG2 GLU 40 HG2 GLU 40 -3.683 1.057 -0.385 328 HG3 GLU 40 HG1 GLU 40 -1.949 1.288 -0.602 329 H LYS 41 H LYS 41 -5.676 2.298 -4.236 330 HA LYS 41 HA LYS 41 -4.548 4.297 -5.980 331 HB2 LYS 41 HB2 LYS 41 -6.684 2.231 -6.505 332 HB3 LYS 41 HB1 LYS 41 -5.966 3.271 -7.722 333 HG2 LYS 41 HG2 LYS 41 -3.768 2.245 -7.212 334 HG3 LYS 41 HG1 LYS 41 -4.591 1.136 -6.118 335 HD2 LYS 41 HD2 LYS 41 -4.234 0.065 -8.270 336 HD3 LYS 41 HD1 LYS 41 -5.958 0.326 -8.003 337 HE2 LYS 41 HE2 LYS 41 -5.959 2.237 -9.447 338 HE3 LYS 41 HE1 LYS 41 -4.202 2.193 -9.577 339 HZ1 LYS 41 HZ1 LYS 41 -6.085 0.126 -10.597 340 HZ2 LYS 41 HZ2 LYS 41 -4.396 0.114 -10.797 341 HZ3 LYS 41 HZ3 LYS 41 -5.320 1.300 -11.520 342 H GLY 42 H GLY 42 -7.796 3.474 -4.841 343 HA2 GLY 42 HA2 GLY 42 -8.986 5.601 -4.106 344 HA3 GLY 42 HA1 GLY 42 -8.733 6.079 -5.786 345 H GLN 43 H GLN 43 -11.224 5.797 -4.530 346 HA GLN 43 HA GLN 43 -12.432 3.287 -5.206 347 HB2 GLN 43 HB2 GLN 43 -13.621 5.948 -4.389 348 HB3 GLN 43 HB1 GLN 43 -14.534 4.456 -4.557 349 HG2 GLN 43 HG2 GLN 43 -13.366 3.447 -2.744 350 HG3 GLN 43 HG1 GLN 43 -12.214 4.777 -2.680 351 HE21 GLN 43 1HE2 GLN 43 -13.987 3.679 -0.645 352 HE22 GLN 43 2HE2 GLN 43 -14.944 4.992 -0.075 353 H HIS 44 H HIS 44 -12.273 2.890 -7.367 354 HA HIS 44 HA HIS 44 -12.318 3.134 -9.566 355 HB2 HIS 44 HB2 HIS 44 -15.104 3.961 -8.790 356 HB3 HIS 44 HB1 HIS 44 -14.583 3.686 -10.450 357 HD1 HIS 44 HD1 HIS 44 -15.938 1.887 -7.563 358 HD2 HIS 44 HD2 HIS 44 -13.620 0.993 -10.895 359 HE1 HIS 44 HE1 HIS 44 -16.059 -0.611 -7.856 360 H GLN 45 H GLN 45 -10.718 4.886 -9.254 361 HA GLN 45 HA GLN 45 -11.650 7.336 -10.521 362 HB2 GLN 45 HB2 GLN 45 -9.680 6.946 -8.278 363 HB3 GLN 45 HB1 GLN 45 -9.788 8.414 -9.226 364 HG2 GLN 45 HG2 GLN 45 -11.993 7.245 -7.536 365 HG3 GLN 45 HG1 GLN 45 -10.956 8.586 -7.061 366 HE21 GLN 45 1HE2 GLN 45 -13.570 7.580 -9.088 367 HE22 GLN 45 2HE2 GLN 45 -14.096 9.166 -9.527 368 H GLY 46 H GLY 46 -9.785 8.408 -11.640 369 HA2 GLY 46 HA2 GLY 46 -7.709 6.530 -12.422 370 HA3 GLY 46 HA1 GLY 46 -8.747 7.200 -13.673 371 H GLU 47 H GLU 47 -6.046 7.550 -13.693 372 HA GLU 47 HA GLU 47 -4.487 9.073 -14.133 373 HB2 GLU 47 HB2 GLU 47 -6.771 11.003 -13.886 374 HB3 GLU 47 HB1 GLU 47 -5.168 11.441 -14.489 375 HG2 GLU 47 HG2 GLU 47 -5.445 9.805 -16.300 376 HG3 GLU 47 HG1 GLU 47 -7.054 9.430 -15.697 377 H THR 48 H THR 48 -5.378 8.439 -11.343 378 HA THR 48 HA THR 48 -3.559 10.326 -10.135 379 HB THR 48 HB THR 48 -5.671 11.045 -9.260 380 HG1 THR 48 HG1 THR 48 -5.006 11.137 -7.331 381 HG21 THR 48 HG21 THR 48 -7.298 9.574 -8.131 382 HG22 THR 48 HG22 THR 48 -6.292 8.179 -8.511 383 HG23 THR 48 HG23 THR 48 -7.055 9.092 -9.813 384 H ASN 49 H ASN 49 -2.029 8.855 -10.652 385 HA ASN 49 HA ASN 49 -2.093 6.434 -9.054 386 HB2 ASN 49 HB2 ASN 49 -1.108 6.652 -11.909 387 HB3 ASN 49 HB1 ASN 49 -0.900 5.241 -10.880 388 HD21 ASN 49 HD21 ASN 49 -2.776 4.079 -10.255 389 HD22 ASN 49 HD22 ASN 49 -4.216 4.140 -11.223 Start of MODEL 18 1 H1 ARG 1 HT1 ARG 1 4.841 8.696 -15.028 2 H2 ARG 1 HT2 ARG 1 6.320 7.967 -14.616 3 H3 ARG 1 HT3 ARG 1 5.260 8.469 -13.415 4 HA ARG 1 HA ARG 1 3.669 6.893 -13.971 5 HB2 ARG 1 HB2 ARG 1 4.093 6.791 -16.414 6 HB3 ARG 1 HB1 ARG 1 5.621 5.983 -16.113 7 HG2 ARG 1 HG2 ARG 1 3.922 4.393 -16.826 8 HG3 ARG 1 HG1 ARG 1 4.428 4.064 -15.168 9 HD2 ARG 1 HD2 ARG 1 2.446 5.247 -14.345 10 HD3 ARG 1 HD1 ARG 1 1.923 5.533 -16.008 11 HE ARG 1 HE ARG 1 2.331 2.806 -15.655 12 HH11 ARG 1 HH11 ARG 1 0.101 5.300 -14.499 13 HH12 ARG 1 HH12 ARG 1 -1.189 4.230 -14.220 14 HH21 ARG 1 HH21 ARG 1 0.631 1.348 -15.260 15 HH22 ARG 1 HH22 ARG 1 -0.880 1.877 -14.658 16 H GLY 2 H GLY 2 4.231 6.505 -11.884 17 HA2 GLY 2 HA2 GLY 2 6.158 4.330 -11.565 18 HA3 GLY 2 HA1 GLY 2 6.151 5.712 -10.466 19 HA PRO 3 HA PRO 3 2.855 2.322 -9.502 20 HB2 PRO 3 HB2 PRO 3 4.165 0.987 -7.513 21 HB3 PRO 3 HB1 PRO 3 4.204 0.477 -9.206 22 HG2 PRO 3 HG2 PRO 3 6.197 2.097 -7.673 23 HG3 PRO 3 HG1 PRO 3 6.488 0.735 -8.775 24 HD2 PRO 3 HD2 PRO 3 6.836 3.256 -9.590 25 HD3 PRO 3 HD1 PRO 3 6.121 2.037 -10.669 26 H ASP 4 H ASP 4 1.564 2.442 -7.716 27 HA ASP 4 HA ASP 4 1.769 4.851 -6.190 28 HB2 ASP 4 HB2 ASP 4 -0.133 2.524 -5.758 29 HB3 ASP 4 HB1 ASP 4 -0.297 4.128 -5.067 30 H LYS 5 H LYS 5 2.015 5.008 -3.918 31 HA LYS 5 HA LYS 5 3.895 3.185 -2.843 32 HB2 LYS 5 HB2 LYS 5 2.355 5.433 -1.550 33 HB3 LYS 5 HB1 LYS 5 3.598 4.501 -0.724 34 HG2 LYS 5 HG2 LYS 5 5.221 5.186 -2.434 35 HG3 LYS 5 HG1 LYS 5 3.969 6.155 -3.198 36 HD2 LYS 5 HD2 LYS 5 3.788 7.569 -1.275 37 HD3 LYS 5 HD1 LYS 5 4.882 6.534 -0.355 38 HE2 LYS 5 HE2 LYS 5 5.996 8.565 -1.212 39 HE3 LYS 5 HE1 LYS 5 6.714 7.088 -1.833 40 HZ1 LYS 5 HZ1 LYS 5 4.780 8.801 -3.296 41 HZ2 LYS 5 HZ2 LYS 5 5.500 7.408 -3.898 42 HZ3 LYS 5 HZ3 LYS 5 6.445 8.755 -3.548 43 H SER 6 H SER 6 0.486 3.503 -2.650 44 HA SER 6 HA SER 6 0.074 1.575 -0.643 45 HB2 SER 6 HB2 SER 6 -1.713 2.400 -2.934 46 HB3 SER 6 HB1 SER 6 -2.220 1.443 -1.544 47 HG SER 6 HG SER 6 -1.317 4.135 -1.555 48 H TYR 7 H TYR 7 0.891 1.337 -4.026 49 HA TYR 7 HA TYR 7 0.089 -1.414 -4.256 50 HB2 TYR 7 HB2 TYR 7 0.201 0.144 -6.241 51 HB3 TYR 7 HB1 TYR 7 1.953 0.124 -6.091 52 HD1 TYR 7 HD1 TYR 7 -1.009 -1.973 -6.794 53 HD2 TYR 7 HD2 TYR 7 3.225 -1.682 -6.992 54 HE1 TYR 7 HE1 TYR 7 -0.944 -3.988 -8.196 55 HE2 TYR 7 HE2 TYR 7 3.296 -3.702 -8.393 56 HH TYR 7 HH TYR 7 0.548 -4.963 -9.839 57 H LYS 8 H LYS 8 2.956 0.407 -3.497 58 HA LYS 8 HA LYS 8 4.821 -1.691 -3.551 59 HB2 LYS 8 HB2 LYS 8 4.732 0.773 -1.814 60 HB3 LYS 8 HB1 LYS 8 6.147 -0.259 -2.004 61 HG2 LYS 8 HG2 LYS 8 6.200 0.309 -4.393 62 HG3 LYS 8 HG1 LYS 8 4.803 1.362 -4.161 63 HD2 LYS 8 HD2 LYS 8 6.109 2.693 -2.548 64 HD3 LYS 8 HD1 LYS 8 7.507 1.661 -2.852 65 HE2 LYS 8 HE2 LYS 8 7.482 2.328 -5.208 66 HE3 LYS 8 HE1 LYS 8 6.079 3.347 -4.903 67 HZ1 LYS 8 HZ1 LYS 8 8.787 3.703 -3.728 68 HZ2 LYS 8 HZ2 LYS 8 7.456 4.657 -3.367 69 HZ3 LYS 8 HZ3 LYS 8 8.076 4.656 -4.926 70 H ARG 9 H ARG 9 2.808 -0.366 -0.988 71 HA ARG 9 HA ARG 9 3.530 -2.243 0.992 72 HB2 ARG 9 HB2 ARG 9 1.027 -0.611 0.701 73 HB3 ARG 9 HB1 ARG 9 1.455 -1.545 2.125 74 HG2 ARG 9 HG2 ARG 9 3.454 -0.170 2.412 75 HG3 ARG 9 HG1 ARG 9 2.980 0.784 0.999 76 HD2 ARG 9 HD2 ARG 9 1.321 0.381 3.450 77 HD3 ARG 9 HD1 ARG 9 2.306 1.818 3.142 78 HE ARG 9 HE ARG 9 0.884 2.193 1.188 79 HH11 ARG 9 HH11 ARG 9 -0.408 0.023 3.687 80 HH12 ARG 9 HH12 ARG 9 -2.027 0.452 3.405 81 HH21 ARG 9 HH21 ARG 9 -1.381 2.780 0.818 82 HH22 ARG 9 HH22 ARG 9 -2.572 2.106 1.822 83 H LEU 10 H LEU 10 0.871 -2.115 -1.301 84 HA LEU 10 HA LEU 10 -0.554 -4.367 -0.660 85 HB2 LEU 10 HB2 LEU 10 -1.216 -2.780 -2.400 86 HB3 LEU 10 HB1 LEU 10 0.132 -3.256 -3.380 87 HG LEU 10 HG LEU 10 -2.266 -4.035 -3.993 88 HD11 LEU 10 HD11 LEU 10 0.004 -5.987 -4.002 89 HD12 LEU 10 HD12 LEU 10 -0.326 -4.723 -5.207 90 HD13 LEU 10 HD13 LEU 10 -1.467 -6.055 -4.982 91 HD21 LEU 10 HD21 LEU 10 -2.868 -4.979 -1.852 92 HD22 LEU 10 HD22 LEU 10 -1.516 -6.103 -1.951 93 HD23 LEU 10 HD23 LEU 10 -2.853 -6.233 -3.092 94 H GLN 11 H GLN 11 2.218 -4.248 -2.809 95 HA GLN 11 HA GLN 11 2.546 -6.981 -3.271 96 HB2 GLN 11 HB2 GLN 11 4.612 -4.793 -3.068 97 HB3 GLN 11 HB1 GLN 11 4.964 -6.419 -3.633 98 HG2 GLN 11 HG2 GLN 11 3.533 -6.141 -5.523 99 HG3 GLN 11 HG1 GLN 11 2.950 -4.593 -4.911 100 HE21 GLN 11 1HE2 GLN 11 4.234 -2.813 -5.074 101 HE22 GLN 11 2HE2 GLN 11 5.646 -2.752 -6.075 102 H GLU 12 H GLU 12 4.119 -4.974 -0.788 103 HA GLU 12 HA GLU 12 5.476 -7.000 0.542 104 HB2 GLU 12 HB2 GLU 12 4.417 -4.350 1.474 105 HB3 GLU 12 HB1 GLU 12 5.416 -5.383 2.478 106 HG2 GLU 12 HG2 GLU 12 6.211 -4.289 -0.194 107 HG3 GLU 12 HG1 GLU 12 6.683 -3.610 1.362 108 H CYS 13 H CYS 13 2.220 -5.764 1.064 109 HA CYS 13 HA CYS 13 1.550 -7.118 3.399 110 HB2 CYS 13 HB2 CYS 13 0.223 -5.271 2.334 111 HB3 CYS 13 HB1 CYS 13 -0.320 -6.419 1.120 112 H GLN 14 H GLN 14 1.058 -8.068 0.003 113 HA GLN 14 HA GLN 14 -0.044 -10.555 0.802 114 HB2 GLN 14 HB2 GLN 14 0.090 -11.213 -1.603 115 HB3 GLN 14 HB1 GLN 14 -0.808 -9.737 -1.298 116 HG2 GLN 14 HG2 GLN 14 1.053 -8.418 -2.063 117 HG3 GLN 14 HG1 GLN 14 2.028 -9.874 -2.283 118 HE21 GLN 14 1HE2 GLN 14 -0.603 -7.982 -3.478 119 HE22 GLN 14 2HE2 GLN 14 -0.712 -8.758 -5.017 120 H ARG 15 H ARG 15 3.201 -9.509 0.033 121 HA ARG 15 HA ARG 15 4.382 -12.067 -0.113 122 HB2 ARG 15 HB2 ARG 15 5.567 -9.487 0.946 123 HB3 ARG 15 HB1 ARG 15 6.496 -10.932 0.583 124 HG2 ARG 15 HG2 ARG 15 4.965 -9.247 -1.394 125 HG3 ARG 15 HG1 ARG 15 6.707 -9.239 -1.165 126 HD2 ARG 15 HD2 ARG 15 5.049 -11.587 -2.109 127 HD3 ARG 15 HD1 ARG 15 6.037 -10.549 -3.130 128 HE ARG 15 HE ARG 15 7.657 -11.584 -1.120 129 HH11 ARG 15 HH11 ARG 15 5.898 -12.778 -3.978 130 HH12 ARG 15 HH12 ARG 15 6.914 -14.127 -4.180 131 HH21 ARG 15 HH21 ARG 15 9.057 -13.408 -1.474 132 HH22 ARG 15 HH22 ARG 15 8.736 -14.500 -2.729 133 H ARG 16 H ARG 16 3.673 -9.928 2.617 134 HA ARG 16 HA ARG 16 4.650 -11.602 4.650 135 HB2 ARG 16 HB2 ARG 16 2.499 -9.518 4.649 136 HB3 ARG 16 HB1 ARG 16 2.855 -10.463 6.083 137 HG2 ARG 16 HG2 ARG 16 5.156 -9.649 6.008 138 HG3 ARG 16 HG1 ARG 16 4.736 -8.645 4.616 139 HD2 ARG 16 HD2 ARG 16 4.684 -7.409 6.766 140 HD3 ARG 16 HD1 ARG 16 3.141 -7.406 5.911 141 HE ARG 16 HE ARG 16 3.051 -9.552 7.674 142 HH11 ARG 16 HH11 ARG 16 3.445 -6.040 8.030 143 HH12 ARG 16 HH12 ARG 16 2.517 -5.968 9.452 144 HH21 ARG 16 HH21 ARG 16 1.883 -9.459 9.588 145 HH22 ARG 16 HH22 ARG 16 1.594 -7.985 10.398 146 H CYS 17 H CYS 17 1.494 -11.370 3.212 147 HA CYS 17 HA CYS 17 0.176 -13.281 4.718 148 HB2 CYS 17 HB2 CYS 17 -0.126 -12.664 1.797 149 HB3 CYS 17 HB1 CYS 17 -1.251 -13.638 2.724 150 H GLN 18 H GLN 18 2.315 -13.753 1.959 151 HA GLN 18 HA GLN 18 1.834 -16.532 1.616 152 HB2 GLN 18 HB2 GLN 18 4.324 -14.982 0.940 153 HB3 GLN 18 HB1 GLN 18 3.915 -16.575 0.330 154 HG2 GLN 18 HG2 GLN 18 1.917 -15.566 -0.754 155 HG3 GLN 18 HG1 GLN 18 2.491 -13.993 -0.229 156 HE21 GLN 18 1HE2 GLN 18 5.327 -14.752 -0.641 157 HE22 GLN 18 2HE2 GLN 18 5.570 -14.704 -2.329 158 H SER 19 H SER 19 3.775 -14.781 3.840 159 HA SER 19 HA SER 19 5.288 -17.152 4.564 160 HB2 SER 19 HB2 SER 19 5.454 -14.352 5.664 161 HB3 SER 19 HB1 SER 19 6.636 -15.646 5.879 162 HG SER 19 HG SER 19 6.568 -13.858 4.002 163 H GLU 20 H GLU 20 3.098 -14.774 6.023 164 HA GLU 20 HA GLU 20 3.100 -16.097 8.560 165 HB2 GLU 20 HB2 GLU 20 1.346 -13.859 7.569 166 HB3 GLU 20 HB1 GLU 20 1.554 -14.357 9.242 167 HG2 GLU 20 HG2 GLU 20 3.953 -13.745 9.072 168 HG3 GLU 20 HG1 GLU 20 3.642 -13.151 7.445 169 H GLN 21 H GLN 21 1.155 -16.278 5.687 170 HA GLN 21 HA GLN 21 -0.775 -17.933 7.135 171 HB2 GLN 21 HB2 GLN 21 -1.286 -16.033 4.840 172 HB3 GLN 21 HB1 GLN 21 -2.479 -17.104 5.558 173 HG2 GLN 21 HG2 GLN 21 -1.055 -14.933 7.075 174 HG3 GLN 21 HG1 GLN 21 -2.603 -14.712 6.272 175 HE21 GLN 21 1HE2 GLN 21 -0.968 -16.313 8.912 176 HE22 GLN 21 2HE2 GLN 21 -2.420 -16.662 9.770 177 H GLN 22 H GLN 22 -1.922 -19.387 5.501 178 HA GLN 22 HA GLN 22 -0.554 -19.956 3.063 179 HB2 GLN 22 HB2 GLN 22 -0.283 -22.375 3.652 180 HB3 GLN 22 HB1 GLN 22 0.839 -21.310 4.472 181 HG2 GLN 22 HG2 GLN 22 -0.503 -21.446 6.495 182 HG3 GLN 22 HG1 GLN 22 -1.680 -22.456 5.653 183 HE21 GLN 22 1HE2 GLN 22 -1.203 -24.553 5.244 184 HE22 GLN 22 2HE2 GLN 22 0.147 -25.388 5.917 185 H GLY 23 H GLY 23 -1.724 -21.651 1.921 186 HA2 GLY 23 HA2 GLY 23 -3.661 -22.513 1.048 187 HA3 GLY 23 HA1 GLY 23 -4.128 -22.798 2.716 188 H GLN 24 H GLN 24 -6.074 -22.079 3.062 189 HA GLN 24 HA GLN 24 -7.415 -20.179 1.443 190 HB2 GLN 24 HB2 GLN 24 -8.577 -22.003 2.638 191 HB3 GLN 24 HB1 GLN 24 -8.154 -21.263 4.172 192 HG2 GLN 24 HG2 GLN 24 -10.468 -20.806 3.583 193 HG3 GLN 24 HG1 GLN 24 -9.522 -19.317 3.623 194 HE21 GLN 24 1HE2 GLN 24 -11.150 -21.619 1.616 195 HE22 GLN 24 2HE2 GLN 24 -11.183 -20.649 0.193 196 H ARG 25 H ARG 25 -5.923 -20.104 4.619 197 HA ARG 25 HA ARG 25 -6.576 -17.527 5.449 198 HB2 ARG 25 HB2 ARG 25 -4.139 -19.230 5.923 199 HB3 ARG 25 HB1 ARG 25 -4.364 -17.675 6.701 200 HG2 ARG 25 HG2 ARG 25 -6.464 -19.783 6.930 201 HG3 ARG 25 HG1 ARG 25 -5.024 -19.852 7.942 202 HD2 ARG 25 HD2 ARG 25 -6.852 -18.711 9.107 203 HD3 ARG 25 HD1 ARG 25 -5.519 -17.611 8.796 204 HE ARG 25 HE ARG 25 -7.813 -17.639 6.974 205 HH11 ARG 25 HH11 ARG 25 -5.953 -15.917 9.444 206 HH12 ARG 25 HH12 ARG 25 -6.687 -14.407 9.148 207 HH21 ARG 25 HH21 ARG 25 -8.792 -15.657 6.587 208 HH22 ARG 25 HH22 ARG 25 -8.373 -14.230 7.466 209 H LEU 26 H LEU 26 -4.006 -18.659 3.364 210 HA LEU 26 HA LEU 26 -2.769 -16.128 3.009 211 HB2 LEU 26 HB2 LEU 26 -1.423 -17.911 2.547 212 HB3 LEU 26 HB1 LEU 26 -2.596 -18.731 1.524 213 HG LEU 26 HG LEU 26 -2.142 -17.080 -0.253 214 HD11 LEU 26 HD11 LEU 26 -0.183 -15.927 1.718 215 HD12 LEU 26 HD12 LEU 26 -1.630 -15.153 1.068 216 HD13 LEU 26 HD13 LEU 26 -0.268 -15.506 0.003 217 HD21 LEU 26 HD21 LEU 26 -0.810 -19.113 -0.163 218 HD22 LEU 26 HD22 LEU 26 0.351 -18.314 0.895 219 HD23 LEU 26 HD23 LEU 26 0.145 -17.758 -0.766 220 H GLN 27 H GLN 27 -5.124 -17.935 1.101 221 HA GLN 27 HA GLN 27 -5.314 -16.129 -1.021 222 HB2 GLN 27 HB2 GLN 27 -7.473 -17.925 0.101 223 HB3 GLN 27 HB1 GLN 27 -7.550 -17.102 -1.446 224 HG2 GLN 27 HG2 GLN 27 -5.634 -19.284 -0.649 225 HG3 GLN 27 HG1 GLN 27 -6.978 -19.410 -1.782 226 HE21 GLN 27 1HE2 GLN 27 -3.728 -18.436 -1.322 227 HE22 GLN 27 2HE2 GLN 27 -3.395 -17.994 -2.961 228 H GLU 28 H GLU 28 -7.205 -16.326 1.968 229 HA GLU 28 HA GLU 28 -8.853 -14.098 1.502 230 HB2 GLU 28 HB2 GLU 28 -7.867 -15.143 4.160 231 HB3 GLU 28 HB1 GLU 28 -9.236 -14.075 3.924 232 HG2 GLU 28 HG2 GLU 28 -10.374 -15.862 2.665 233 HG3 GLU 28 HG1 GLU 28 -9.002 -16.922 2.979 234 H CYS 29 H CYS 29 -5.770 -14.391 3.241 235 HA CYS 29 HA CYS 29 -5.556 -11.783 4.162 236 HB2 CYS 29 HB2 CYS 29 -4.144 -13.683 4.911 237 HB3 CYS 29 HB1 CYS 29 -3.307 -13.638 3.373 238 H GLN 30 H GLN 30 -4.079 -13.202 1.225 239 HA GLN 30 HA GLN 30 -2.929 -10.746 0.438 240 HB2 GLN 30 HB2 GLN 30 -2.404 -11.788 -1.694 241 HB3 GLN 30 HB1 GLN 30 -2.043 -12.875 -0.364 242 HG2 GLN 30 HG2 GLN 30 -4.038 -14.144 -0.812 243 HG3 GLN 30 HG1 GLN 30 -4.509 -13.023 -2.093 244 HE21 GLN 30 1HE2 GLN 30 -1.246 -14.107 -1.495 245 HE22 GLN 30 2HE2 GLN 30 -1.085 -15.031 -2.931 246 H GLN 31 H GLN 31 -6.020 -12.227 -0.341 247 HA GLN 31 HA GLN 31 -6.667 -10.390 -2.386 248 HB2 GLN 31 HB2 GLN 31 -7.745 -12.614 -2.099 249 HB3 GLN 31 HB1 GLN 31 -8.535 -12.009 -0.652 250 HG2 GLN 31 HG2 GLN 31 -9.730 -10.360 -1.975 251 HG3 GLN 31 HG1 GLN 31 -8.907 -10.928 -3.429 252 HE21 GLN 31 1HE2 GLN 31 -9.477 -12.922 -4.312 253 HE22 GLN 31 2HE2 GLN 31 -10.938 -13.709 -3.838 254 H ARG 32 H ARG 32 -7.240 -10.474 1.104 255 HA ARG 32 HA ARG 32 -8.743 -8.083 1.099 256 HB2 ARG 32 HB2 ARG 32 -7.314 -9.498 3.351 257 HB3 ARG 32 HB1 ARG 32 -8.214 -8.006 3.598 258 HG2 ARG 32 HG2 ARG 32 -10.249 -9.111 2.796 259 HG3 ARG 32 HG1 ARG 32 -9.340 -10.597 2.544 260 HD2 ARG 32 HD2 ARG 32 -10.585 -10.710 4.629 261 HD3 ARG 32 HD1 ARG 32 -8.856 -10.697 4.955 262 HE ARG 32 HE ARG 32 -9.568 -8.085 5.165 263 HH11 ARG 32 HH11 ARG 32 -10.771 -11.035 6.714 264 HH12 ARG 32 HH12 ARG 32 -11.224 -10.236 8.150 265 HH21 ARG 32 HH21 ARG 32 -10.193 -7.031 7.165 266 HH22 ARG 32 HH22 ARG 32 -10.908 -7.961 8.418 267 H CYS 33 H CYS 33 -5.311 -8.684 1.120 268 HA CYS 33 HA CYS 33 -4.511 -6.030 1.731 269 HB2 CYS 33 HB2 CYS 33 -3.128 -8.066 -0.052 270 HB3 CYS 33 HB1 CYS 33 -2.406 -6.560 0.489 271 H GLN 34 H GLN 34 -5.537 -7.634 -1.215 272 HA GLN 34 HA GLN 34 -4.982 -5.468 -2.971 273 HB2 GLN 34 HB2 GLN 34 -6.882 -7.796 -3.240 274 HB3 GLN 34 HB1 GLN 34 -6.502 -6.676 -4.540 275 HG2 GLN 34 HG2 GLN 34 -4.197 -7.392 -4.534 276 HG3 GLN 34 HG1 GLN 34 -4.496 -8.425 -3.136 277 HE21 GLN 34 1HE2 GLN 34 -3.541 -9.080 -5.838 278 HE22 GLN 34 2HE2 GLN 34 -4.662 -10.258 -6.428 279 H GLN 35 H GLN 35 -7.758 -6.511 -1.106 280 HA GLN 35 HA GLN 35 -9.610 -4.590 -1.986 281 HB2 GLN 35 HB2 GLN 35 -9.338 -5.748 0.801 282 HB3 GLN 35 HB1 GLN 35 -10.761 -4.928 0.182 283 HG2 GLN 35 HG2 GLN 35 -9.650 -7.568 -0.766 284 HG3 GLN 35 HG1 GLN 35 -11.081 -7.338 0.236 285 HE21 GLN 35 1HE2 GLN 35 -9.756 -7.241 -2.944 286 HE22 GLN 35 2HE2 GLN 35 -11.232 -6.952 -3.768 287 H GLU 36 H GLU 36 -7.190 -4.532 0.615 288 HA GLU 36 HA GLU 36 -7.552 -1.961 1.606 289 HB2 GLU 36 HB2 GLU 36 -5.015 -3.552 1.244 290 HB3 GLU 36 HB1 GLU 36 -5.048 -1.988 2.037 291 HG2 GLU 36 HG2 GLU 36 -6.514 -4.452 2.925 292 HG3 GLU 36 HG1 GLU 36 -5.022 -3.820 3.623 293 H TYR 37 H TYR 37 -5.342 -3.027 -0.939 294 HA TYR 37 HA TYR 37 -4.329 -0.589 -1.661 295 HB2 TYR 37 HB2 TYR 37 -3.252 -2.497 -2.464 296 HB3 TYR 37 HB1 TYR 37 -4.671 -3.153 -3.240 297 HD1 TYR 37 HD1 TYR 37 -4.907 -2.888 -5.499 298 HD2 TYR 37 HD2 TYR 37 -2.407 -0.198 -3.378 299 HE1 TYR 37 HE1 TYR 37 -4.251 -1.881 -7.601 300 HE2 TYR 37 HE2 TYR 37 -1.723 0.849 -5.462 301 HH TYR 37 HH TYR 37 -1.625 0.306 -7.900 302 H GLN 38 H GLN 38 -7.240 -2.119 -2.965 303 HA GLN 38 HA GLN 38 -7.736 -0.034 -4.821 304 HB2 GLN 38 HB2 GLN 38 -9.624 -2.074 -3.662 305 HB3 GLN 38 HB1 GLN 38 -10.052 -0.968 -4.958 306 HG2 GLN 38 HG2 GLN 38 -8.236 -1.945 -6.330 307 HG3 GLN 38 HG1 GLN 38 -7.931 -3.104 -5.040 308 HE21 GLN 38 1HE2 GLN 38 -10.771 -3.406 -4.406 309 HE22 GLN 38 2HE2 GLN 38 -11.465 -4.318 -5.678 310 H ARG 39 H ARG 39 -8.665 -0.502 -1.476 311 HA ARG 39 HA ARG 39 -10.441 1.750 -1.516 312 HB2 ARG 39 HB2 ARG 39 -9.423 0.061 0.768 313 HB3 ARG 39 HB1 ARG 39 -10.557 1.386 0.969 314 HG2 ARG 39 HG2 ARG 39 -11.023 -1.114 -0.645 315 HG3 ARG 39 HG1 ARG 39 -11.703 -0.757 0.941 316 HD2 ARG 39 HD2 ARG 39 -12.795 1.263 -0.079 317 HD3 ARG 39 HD1 ARG 39 -12.230 0.701 -1.647 318 HE ARG 39 HE ARG 39 -13.571 -1.397 -0.509 319 HH11 ARG 39 HH11 ARG 39 -14.355 1.894 -1.610 320 HH12 ARG 39 HH12 ARG 39 -15.992 1.580 -1.893 321 HH21 ARG 39 HH21 ARG 39 -15.903 -1.825 -0.912 322 HH22 ARG 39 HH22 ARG 39 -16.882 -0.557 -1.495 323 H GLU 40 H GLU 40 -7.090 1.281 -0.926 324 HA GLU 40 HA GLU 40 -6.631 3.713 0.508 325 HB2 GLU 40 HB2 GLU 40 -4.760 2.006 -1.142 326 HB3 GLU 40 HB1 GLU 40 -4.248 3.369 -0.164 327 HG2 GLU 40 HG2 GLU 40 -5.600 0.903 0.892 328 HG3 GLU 40 HG1 GLU 40 -3.861 1.176 0.892 329 H LYS 41 H LYS 41 -6.728 2.778 -2.852 330 HA LYS 41 HA LYS 41 -5.998 5.439 -3.705 331 HB2 LYS 41 HB2 LYS 41 -6.938 3.046 -5.299 332 HB3 LYS 41 HB1 LYS 41 -6.383 4.566 -5.993 333 HG2 LYS 41 HG2 LYS 41 -4.190 4.223 -4.922 334 HG3 LYS 41 HG1 LYS 41 -4.753 2.669 -4.321 335 HD2 LYS 41 HD2 LYS 41 -3.405 2.373 -6.321 336 HD3 LYS 41 HD1 LYS 41 -5.073 1.906 -6.633 337 HE2 LYS 41 HE2 LYS 41 -5.492 3.909 -7.839 338 HE3 LYS 41 HE1 LYS 41 -3.977 4.622 -7.281 339 HZ1 LYS 41 HZ1 LYS 41 -4.185 2.246 -9.050 340 HZ2 LYS 41 HZ2 LYS 41 -2.760 3.056 -8.587 341 HZ3 LYS 41 HZ3 LYS 41 -3.899 3.823 -9.586 342 H GLY 42 H GLY 42 -8.843 3.439 -3.403 343 HA2 GLY 42 HA2 GLY 42 -10.876 4.438 -2.716 344 HA3 GLY 42 HA1 GLY 42 -10.451 5.864 -3.655 345 H GLN 43 H GLN 43 -12.782 4.003 -3.698 346 HA GLN 43 HA GLN 43 -12.637 3.301 -6.530 347 HB2 GLN 43 HB2 GLN 43 -14.615 2.437 -4.410 348 HB3 GLN 43 HB1 GLN 43 -14.771 2.050 -6.116 349 HG2 GLN 43 HG2 GLN 43 -12.607 0.851 -5.991 350 HG3 GLN 43 HG1 GLN 43 -12.584 1.156 -4.256 351 HE21 GLN 43 1HE2 GLN 43 -12.640 -1.044 -3.770 352 HE22 GLN 43 2HE2 GLN 43 -14.046 -1.995 -3.996 353 H HIS 44 H HIS 44 -13.008 5.105 -7.527 354 HA HIS 44 HA HIS 44 -15.429 6.622 -6.810 355 HB2 HIS 44 HB2 HIS 44 -14.273 8.684 -7.553 356 HB3 HIS 44 HB1 HIS 44 -13.471 7.923 -6.187 357 HD1 HIS 44 HD1 HIS 44 -12.831 9.205 -9.556 358 HD2 HIS 44 HD2 HIS 44 -11.048 6.521 -6.947 359 HE1 HIS 44 HE1 HIS 44 -10.497 8.825 -10.434 360 H GLN 45 H GLN 45 -13.744 4.962 -9.253 361 HA GLN 45 HA GLN 45 -15.131 6.369 -11.384 362 HB2 GLN 45 HB2 GLN 45 -12.708 5.736 -11.568 363 HB3 GLN 45 HB1 GLN 45 -13.215 4.053 -11.604 364 HG2 GLN 45 HG2 GLN 45 -12.836 4.809 -13.851 365 HG3 GLN 45 HG1 GLN 45 -14.566 4.538 -13.613 366 HE21 GLN 45 1HE2 GLN 45 -15.198 5.951 -15.215 367 HE22 GLN 45 2HE2 GLN 45 -15.006 7.660 -15.095 368 H GLY 46 H GLY 46 -16.906 5.593 -12.345 369 HA2 GLY 46 HA2 GLY 46 -18.145 3.201 -11.381 370 HA3 GLY 46 HA1 GLY 46 -18.767 4.297 -12.610 371 H GLU 47 H GLU 47 -16.144 2.020 -12.142 372 HA GLU 47 HA GLU 47 -16.474 1.139 -14.926 373 HB2 GLU 47 HB2 GLU 47 -14.183 0.188 -14.665 374 HB3 GLU 47 HB1 GLU 47 -14.259 1.936 -14.505 375 HG2 GLU 47 HG2 GLU 47 -14.127 1.755 -12.104 376 HG3 GLU 47 HG1 GLU 47 -14.153 -0.005 -12.216 377 H THR 48 H THR 48 -17.595 0.399 -12.126 378 HA THR 48 HA THR 48 -17.993 -2.380 -12.761 379 HB THR 48 HB THR 48 -16.035 -2.530 -11.308 380 HG1 THR 48 HG1 THR 48 -18.495 -3.276 -10.194 381 HG21 THR 48 HG21 THR 48 -16.176 -0.380 -10.190 382 HG22 THR 48 HG22 THR 48 -16.064 -1.667 -8.987 383 HG23 THR 48 HG23 THR 48 -17.618 -0.898 -9.322 384 H ASN 49 H ASN 49 -19.402 0.206 -12.687 385 HA ASN 49 HA ASN 49 -21.742 -0.631 -11.434 386 HB2 ASN 49 HB2 ASN 49 -22.053 1.373 -9.940 387 HB3 ASN 49 HB1 ASN 49 -20.814 0.267 -9.376 388 HD21 ASN 49 HD21 ASN 49 -18.710 0.971 -9.306 389 HD22 ASN 49 HD22 ASN 49 -18.266 2.629 -9.491 Start of MODEL 19 1 H1 ARG 1 HT1 ARG 1 9.636 5.165 -13.426 2 H2 ARG 1 HT2 ARG 1 8.182 4.498 -13.895 3 H3 ARG 1 HT3 ARG 1 9.455 4.534 -14.988 4 HA ARG 1 HA ARG 1 9.095 2.337 -14.078 5 HB2 ARG 1 HB2 ARG 1 11.362 1.877 -13.253 6 HB3 ARG 1 HB1 ARG 1 11.396 2.950 -14.644 7 HG2 ARG 1 HG2 ARG 1 11.787 4.852 -13.207 8 HG3 ARG 1 HG1 ARG 1 11.655 3.827 -11.776 9 HD2 ARG 1 HD2 ARG 1 13.608 2.567 -12.498 10 HD3 ARG 1 HD1 ARG 1 13.731 3.556 -13.949 11 HE ARG 1 HE ARG 1 13.734 5.093 -11.562 12 HH11 ARG 1 HH11 ARG 1 15.804 3.185 -13.716 13 HH12 ARG 1 HH12 ARG 1 17.244 3.978 -13.239 14 HH21 ARG 1 HH21 ARG 1 15.758 6.174 -10.932 15 HH22 ARG 1 HH22 ARG 1 17.211 5.657 -11.656 16 H GLY 2 H GLY 2 9.091 0.954 -12.256 17 HA2 GLY 2 HA2 GLY 2 9.124 0.595 -9.916 18 HA3 GLY 2 HA1 GLY 2 8.742 2.299 -9.682 19 HA PRO 3 HA PRO 3 4.794 -0.317 -10.060 20 HB2 PRO 3 HB2 PRO 3 4.371 -1.142 -7.515 21 HB3 PRO 3 HB1 PRO 3 5.277 -2.120 -8.681 22 HG2 PRO 3 HG2 PRO 3 6.282 -0.357 -6.487 23 HG3 PRO 3 HG1 PRO 3 6.864 -1.949 -6.993 24 HD2 PRO 3 HD2 PRO 3 8.079 0.388 -7.710 25 HD3 PRO 3 HD1 PRO 3 8.132 -1.084 -8.698 26 H ASP 4 H ASP 4 2.741 0.405 -9.179 27 HA ASP 4 HA ASP 4 2.764 3.141 -8.320 28 HB2 ASP 4 HB2 ASP 4 0.966 2.214 -9.833 29 HB3 ASP 4 HB1 ASP 4 0.432 1.225 -8.468 30 H LYS 5 H LYS 5 1.445 3.752 -6.527 31 HA LYS 5 HA LYS 5 2.302 3.184 -3.953 32 HB2 LYS 5 HB2 LYS 5 -0.591 3.747 -4.500 33 HB3 LYS 5 HB1 LYS 5 0.384 4.309 -3.158 34 HG2 LYS 5 HG2 LYS 5 1.513 5.896 -4.602 35 HG3 LYS 5 HG1 LYS 5 0.655 5.265 -6.009 36 HD2 LYS 5 HD2 LYS 5 -0.590 6.657 -3.637 37 HD3 LYS 5 HD1 LYS 5 -0.382 7.323 -5.252 38 HE2 LYS 5 HE2 LYS 5 -2.157 4.978 -4.485 39 HE3 LYS 5 HE1 LYS 5 -2.683 6.594 -4.901 40 HZ1 LYS 5 HZ1 LYS 5 -1.374 4.655 -6.771 41 HZ2 LYS 5 HZ2 LYS 5 -1.769 6.250 -7.152 42 HZ3 LYS 5 HZ3 LYS 5 -2.975 5.162 -6.778 43 H SER 6 H SER 6 -0.466 1.999 -5.708 44 HA SER 6 HA SER 6 -1.650 0.370 -3.822 45 HB2 SER 6 HB2 SER 6 -1.789 0.053 -6.796 46 HB3 SER 6 HB1 SER 6 -3.056 -0.226 -5.597 47 HG SER 6 HG SER 6 -2.073 2.179 -6.630 48 H TYR 7 H TYR 7 0.623 -0.466 -6.484 49 HA TYR 7 HA TYR 7 0.408 -3.241 -5.783 50 HB2 TYR 7 HB2 TYR 7 0.870 -2.480 -8.145 51 HB3 TYR 7 HB1 TYR 7 2.478 -2.003 -7.617 52 HD1 TYR 7 HD1 TYR 7 4.209 -3.628 -7.327 53 HD2 TYR 7 HD2 TYR 7 0.219 -4.891 -8.074 54 HE1 TYR 7 HE1 TYR 7 5.004 -5.932 -7.670 55 HE2 TYR 7 HE2 TYR 7 1.005 -7.196 -8.418 56 HH TYR 7 HH TYR 7 3.025 -8.398 -8.972 57 H LYS 8 H LYS 8 2.449 -0.608 -5.027 58 HA LYS 8 HA LYS 8 4.651 -1.938 -3.931 59 HB2 LYS 8 HB2 LYS 8 4.590 0.459 -4.496 60 HB3 LYS 8 HB1 LYS 8 3.409 0.727 -3.228 61 HG2 LYS 8 HG2 LYS 8 5.062 0.143 -1.551 62 HG3 LYS 8 HG1 LYS 8 6.239 -0.190 -2.823 63 HD2 LYS 8 HD2 LYS 8 6.654 2.012 -1.902 64 HD3 LYS 8 HD1 LYS 8 6.072 2.173 -3.556 65 HE2 LYS 8 HE2 LYS 8 3.837 2.716 -2.688 66 HE3 LYS 8 HE1 LYS 8 4.439 2.541 -1.040 67 HZ1 LYS 8 HZ1 LYS 8 4.401 4.862 -1.679 68 HZ2 LYS 8 HZ2 LYS 8 5.325 4.545 -3.039 69 HZ3 LYS 8 HZ3 LYS 8 6.010 4.369 -1.508 70 H ARG 9 H ARG 9 1.735 -0.582 -2.404 71 HA ARG 9 HA ARG 9 2.265 -1.614 0.178 72 HB2 ARG 9 HB2 ARG 9 -0.041 -0.926 0.726 73 HB3 ARG 9 HB1 ARG 9 0.760 0.317 -0.222 74 HG2 ARG 9 HG2 ARG 9 -0.355 -0.601 -2.240 75 HG3 ARG 9 HG1 ARG 9 -1.286 -1.652 -1.185 76 HD2 ARG 9 HD2 ARG 9 -1.226 1.343 -0.980 77 HD3 ARG 9 HD1 ARG 9 -2.426 0.448 -1.896 78 HE ARG 9 HE ARG 9 -2.553 -0.606 0.602 79 HH11 ARG 9 HH11 ARG 9 -2.570 2.699 -0.642 80 HH12 ARG 9 HH12 ARG 9 -3.848 3.246 0.339 81 HH21 ARG 9 HH21 ARG 9 -4.442 0.214 2.047 82 HH22 ARG 9 HH22 ARG 9 -4.949 1.815 1.757 83 H LEU 10 H LEU 10 0.535 -2.838 -2.605 84 HA LEU 10 HA LEU 10 -0.683 -5.034 -1.379 85 HB2 LEU 10 HB2 LEU 10 -1.466 -4.344 -3.513 86 HB3 LEU 10 HB1 LEU 10 0.119 -4.548 -4.224 87 HG LEU 10 HG LEU 10 -0.033 -6.948 -3.985 88 HD11 LEU 10 HD11 LEU 10 -2.788 -6.461 -2.856 89 HD12 LEU 10 HD12 LEU 10 -1.385 -7.129 -2.011 90 HD13 LEU 10 HD13 LEU 10 -2.136 -8.036 -3.321 91 HD21 LEU 10 HD21 LEU 10 -0.823 -5.960 -6.043 92 HD22 LEU 10 HD22 LEU 10 -2.434 -5.751 -5.356 93 HD23 LEU 10 HD23 LEU 10 -1.798 -7.373 -5.638 94 H GLN 11 H GLN 11 2.410 -4.800 -3.126 95 HA GLN 11 HA GLN 11 2.923 -7.532 -2.942 96 HB2 GLN 11 HB2 GLN 11 5.225 -7.075 -3.590 97 HB3 GLN 11 HB1 GLN 11 4.104 -6.153 -4.568 98 HG2 GLN 11 HG2 GLN 11 4.601 -4.173 -3.157 99 HG3 GLN 11 HG1 GLN 11 5.823 -5.132 -2.323 100 HE21 GLN 11 1HE2 GLN 11 4.919 -3.629 -5.263 101 HE22 GLN 11 2HE2 GLN 11 6.472 -3.720 -6.033 102 H GLU 12 H GLU 12 3.981 -4.910 -0.784 103 HA GLU 12 HA GLU 12 5.430 -6.625 0.903 104 HB2 GLU 12 HB2 GLU 12 4.067 -3.998 1.523 105 HB3 GLU 12 HB1 GLU 12 5.124 -4.842 2.647 106 HG2 GLU 12 HG2 GLU 12 6.960 -4.658 0.991 107 HG3 GLU 12 HG1 GLU 12 5.885 -3.725 -0.043 108 H CYS 13 H CYS 13 2.052 -5.668 0.936 109 HA CYS 13 HA CYS 13 1.384 -6.949 3.345 110 HB2 CYS 13 HB2 CYS 13 0.035 -5.167 2.280 111 HB3 CYS 13 HB1 CYS 13 -0.415 -6.295 1.013 112 H GLN 14 H GLN 14 0.983 -8.081 -0.044 113 HA GLN 14 HA GLN 14 -0.131 -10.580 0.764 114 HB2 GLN 14 HB2 GLN 14 0.189 -11.342 -1.539 115 HB3 GLN 14 HB1 GLN 14 -0.583 -9.766 -1.484 116 HG2 GLN 14 HG2 GLN 14 1.311 -8.680 -2.243 117 HG3 GLN 14 HG1 GLN 14 2.369 -10.051 -1.885 118 HE21 GLN 14 1HE2 GLN 14 0.054 -8.718 -4.096 119 HE22 GLN 14 2HE2 GLN 14 0.368 -9.838 -5.369 120 H ARG 15 H ARG 15 3.179 -9.526 0.226 121 HA ARG 15 HA ARG 15 4.183 -12.159 0.195 122 HB2 ARG 15 HB2 ARG 15 5.537 -9.530 0.590 123 HB3 ARG 15 HB1 ARG 15 6.408 -11.069 0.592 124 HG2 ARG 15 HG2 ARG 15 5.556 -11.577 -1.606 125 HG3 ARG 15 HG1 ARG 15 4.656 -10.063 -1.612 126 HD2 ARG 15 HD2 ARG 15 6.718 -8.859 -1.371 127 HD3 ARG 15 HD1 ARG 15 7.570 -10.421 -1.391 128 HE ARG 15 HE ARG 15 6.392 -10.677 -3.632 129 HH11 ARG 15 HH11 ARG 15 7.638 -7.581 -2.447 130 HH12 ARG 15 HH12 ARG 15 7.951 -6.952 -3.988 131 HH21 ARG 15 HH21 ARG 15 6.894 -9.819 -5.762 132 HH22 ARG 15 HH22 ARG 15 7.571 -8.253 -5.900 133 H ARG 16 H ARG 16 3.412 -9.960 2.755 134 HA ARG 16 HA ARG 16 4.590 -11.602 4.746 135 HB2 ARG 16 HB2 ARG 16 2.337 -9.620 4.909 136 HB3 ARG 16 HB1 ARG 16 2.915 -10.527 6.294 137 HG2 ARG 16 HG2 ARG 16 5.164 -9.521 5.880 138 HG3 ARG 16 HG1 ARG 16 4.386 -8.474 4.685 139 HD2 ARG 16 HD2 ARG 16 4.565 -7.387 6.863 140 HD3 ARG 16 HD1 ARG 16 2.877 -7.624 6.391 141 HE ARG 16 HE ARG 16 3.369 -9.813 7.881 142 HH11 ARG 16 HH11 ARG 16 3.750 -6.362 8.550 143 HH12 ARG 16 HH12 ARG 16 3.722 -6.554 10.239 144 HH21 ARG 16 HH21 ARG 16 3.361 -10.097 10.122 145 HH22 ARG 16 HH22 ARG 16 3.496 -8.769 11.186 146 H CYS 17 H CYS 17 1.399 -11.352 3.373 147 HA CYS 17 HA CYS 17 0.130 -13.347 4.793 148 HB2 CYS 17 HB2 CYS 17 -0.196 -12.623 1.893 149 HB3 CYS 17 HB1 CYS 17 -1.319 -13.613 2.809 150 H GLN 18 H GLN 18 2.206 -13.658 1.948 151 HA GLN 18 HA GLN 18 1.755 -16.441 1.555 152 HB2 GLN 18 HB2 GLN 18 4.050 -14.713 0.634 153 HB3 GLN 18 HB1 GLN 18 3.688 -16.328 0.035 154 HG2 GLN 18 HG2 GLN 18 1.501 -15.502 -0.736 155 HG3 GLN 18 HG1 GLN 18 1.943 -13.904 -0.195 156 HE21 GLN 18 1HE2 GLN 18 3.412 -12.719 -1.317 157 HE22 GLN 18 2HE2 GLN 18 3.953 -13.099 -2.907 158 H SER 19 H SER 19 3.645 -14.755 3.783 159 HA SER 19 HA SER 19 5.374 -17.046 4.276 160 HB2 SER 19 HB2 SER 19 5.473 -14.244 5.409 161 HB3 SER 19 HB1 SER 19 6.703 -15.497 5.607 162 HG SER 19 HG SER 19 6.049 -13.960 3.345 163 H GLU 20 H GLU 20 3.242 -14.790 6.057 164 HA GLU 20 HA GLU 20 3.347 -16.310 8.471 165 HB2 GLU 20 HB2 GLU 20 1.565 -14.010 7.687 166 HB3 GLU 20 HB1 GLU 20 1.842 -14.601 9.319 167 HG2 GLU 20 HG2 GLU 20 4.184 -13.961 9.169 168 HG3 GLU 20 HG1 GLU 20 3.940 -13.424 7.517 169 H GLN 21 H GLN 21 1.225 -16.262 5.676 170 HA GLN 21 HA GLN 21 -0.578 -18.064 7.119 171 HB2 GLN 21 HB2 GLN 21 -1.300 -16.141 4.893 172 HB3 GLN 21 HB1 GLN 21 -2.394 -17.280 5.653 173 HG2 GLN 21 HG2 GLN 21 -1.096 -14.890 6.941 174 HG3 GLN 21 HG1 GLN 21 -2.786 -15.046 6.470 175 HE21 GLN 21 1HE2 GLN 21 -1.673 -14.459 9.040 176 HE22 GLN 21 2HE2 GLN 21 -2.250 -15.679 10.118 177 H GLN 22 H GLN 22 -1.849 -19.377 5.387 178 HA GLN 22 HA GLN 22 -0.589 -19.838 2.904 179 HB2 GLN 22 HB2 GLN 22 -0.024 -22.175 3.313 180 HB3 GLN 22 HB1 GLN 22 0.982 -21.105 4.269 181 HG2 GLN 22 HG2 GLN 22 -0.533 -21.595 6.211 182 HG3 GLN 22 HG1 GLN 22 -1.339 -22.788 5.193 183 HE21 GLN 22 1HE2 GLN 22 1.242 -23.500 3.877 184 HE22 GLN 22 2HE2 GLN 22 2.084 -24.442 5.031 185 H GLY 23 H GLY 23 -1.704 -21.731 1.883 186 HA2 GLY 23 HA2 GLY 23 -3.623 -22.800 1.240 187 HA3 GLY 23 HA1 GLY 23 -4.054 -22.837 2.940 188 H GLN 24 H GLN 24 -6.063 -22.203 3.057 189 HA GLN 24 HA GLN 24 -7.300 -20.371 1.267 190 HB2 GLN 24 HB2 GLN 24 -8.550 -22.187 2.378 191 HB3 GLN 24 HB1 GLN 24 -8.247 -21.441 3.936 192 HG2 GLN 24 HG2 GLN 24 -10.509 -20.992 3.182 193 HG3 GLN 24 HG1 GLN 24 -9.575 -19.502 3.278 194 HE21 GLN 24 1HE2 GLN 24 -11.095 -21.785 1.160 195 HE22 GLN 24 2HE2 GLN 24 -10.993 -20.806 -0.265 196 H ARG 25 H ARG 25 -5.938 -20.226 4.466 197 HA ARG 25 HA ARG 25 -6.769 -17.669 5.239 198 HB2 ARG 25 HB2 ARG 25 -4.264 -19.150 5.918 199 HB3 ARG 25 HB1 ARG 25 -4.791 -17.667 6.706 200 HG2 ARG 25 HG2 ARG 25 -6.860 -18.789 7.377 201 HG3 ARG 25 HG1 ARG 25 -6.262 -20.278 6.649 202 HD2 ARG 25 HD2 ARG 25 -4.348 -20.220 8.087 203 HD3 ARG 25 HD1 ARG 25 -4.948 -18.704 8.785 204 HE ARG 25 HE ARG 25 -7.001 -20.264 9.219 205 HH11 ARG 25 HH11 ARG 25 -3.573 -21.041 9.695 206 HH12 ARG 25 HH12 ARG 25 -3.845 -22.042 11.046 207 HH21 ARG 25 HH21 ARG 25 -7.372 -21.655 11.067 208 HH22 ARG 25 HH22 ARG 25 -6.021 -22.406 11.819 209 H LEU 26 H LEU 26 -4.129 -18.749 3.281 210 HA LEU 26 HA LEU 26 -2.867 -16.238 3.001 211 HB2 LEU 26 HB2 LEU 26 -1.598 -18.055 2.458 212 HB3 LEU 26 HB1 LEU 26 -2.793 -18.755 1.370 213 HG LEU 26 HG LEU 26 -2.284 -16.971 -0.251 214 HD11 LEU 26 HD11 LEU 26 -0.239 -16.118 1.783 215 HD12 LEU 26 HD12 LEU 26 -1.659 -15.213 1.261 216 HD13 LEU 26 HD13 LEU 26 -0.348 -15.517 0.125 217 HD21 LEU 26 HD21 LEU 26 -1.075 -19.051 -0.390 218 HD22 LEU 26 HD22 LEU 26 0.122 -18.455 0.760 219 HD23 LEU 26 HD23 LEU 26 -0.026 -17.702 -0.827 220 H GLN 27 H GLN 27 -5.292 -17.921 1.088 221 HA GLN 27 HA GLN 27 -5.502 -16.012 -0.957 222 HB2 GLN 27 HB2 GLN 27 -7.670 -17.841 0.087 223 HB3 GLN 27 HB1 GLN 27 -7.686 -17.005 -1.457 224 HG2 GLN 27 HG2 GLN 27 -5.846 -19.219 -0.595 225 HG3 GLN 27 HG1 GLN 27 -7.101 -19.287 -1.832 226 HE21 GLN 27 1HE2 GLN 27 -6.744 -18.199 -3.793 227 HE22 GLN 27 2HE2 GLN 27 -5.145 -17.772 -4.299 228 H GLU 28 H GLU 28 -7.229 -16.372 2.081 229 HA GLU 28 HA GLU 28 -8.971 -14.187 1.840 230 HB2 GLU 28 HB2 GLU 28 -7.719 -15.361 4.328 231 HB3 GLU 28 HB1 GLU 28 -9.136 -14.326 4.291 232 HG2 GLU 28 HG2 GLU 28 -10.384 -16.018 3.100 233 HG3 GLU 28 HG1 GLU 28 -8.951 -17.039 3.002 234 H CYS 29 H CYS 29 -5.774 -14.472 3.339 235 HA CYS 29 HA CYS 29 -5.565 -11.859 4.284 236 HB2 CYS 29 HB2 CYS 29 -4.137 -13.783 4.986 237 HB3 CYS 29 HB1 CYS 29 -3.298 -13.672 3.452 238 H GLN 30 H GLN 30 -4.175 -13.261 1.287 239 HA GLN 30 HA GLN 30 -3.106 -10.786 0.457 240 HB2 GLN 30 HB2 GLN 30 -2.819 -11.776 -1.798 241 HB3 GLN 30 HB1 GLN 30 -2.160 -12.763 -0.508 242 HG2 GLN 30 HG2 GLN 30 -4.061 -14.242 -0.633 243 HG3 GLN 30 HG1 GLN 30 -4.799 -13.219 -1.867 244 HE21 GLN 30 1HE2 GLN 30 -2.193 -15.358 -1.151 245 HE22 GLN 30 2HE2 GLN 30 -1.777 -15.768 -2.768 246 H GLN 31 H GLN 31 -6.282 -12.148 -0.029 247 HA GLN 31 HA GLN 31 -7.073 -10.321 -2.021 248 HB2 GLN 31 HB2 GLN 31 -8.351 -12.320 -1.620 249 HB3 GLN 31 HB1 GLN 31 -8.737 -11.805 0.015 250 HG2 GLN 31 HG2 GLN 31 -10.670 -11.490 -1.381 251 HG3 GLN 31 HG1 GLN 31 -10.029 -9.918 -0.933 252 HE21 GLN 31 1HE2 GLN 31 -11.750 -10.699 -3.112 253 HE22 GLN 31 2HE2 GLN 31 -10.982 -10.193 -4.572 254 H ARG 32 H ARG 32 -7.010 -10.119 1.498 255 HA ARG 32 HA ARG 32 -8.464 -7.681 1.647 256 HB2 ARG 32 HB2 ARG 32 -6.413 -8.772 3.586 257 HB3 ARG 32 HB1 ARG 32 -7.530 -7.458 3.917 258 HG2 ARG 32 HG2 ARG 32 -8.243 -10.334 3.391 259 HG3 ARG 32 HG1 ARG 32 -8.314 -9.492 4.936 260 HD2 ARG 32 HD2 ARG 32 -9.973 -8.856 2.488 261 HD3 ARG 32 HD1 ARG 32 -10.528 -9.714 3.917 262 HE ARG 32 HE ARG 32 -9.616 -7.385 4.907 263 HH11 ARG 32 HH11 ARG 32 -11.989 -8.195 2.375 264 HH12 ARG 32 HH12 ARG 32 -12.960 -6.834 2.643 265 HH21 ARG 32 HH21 ARG 32 -10.959 -5.484 5.243 266 HH22 ARG 32 HH22 ARG 32 -12.352 -5.234 4.299 267 H CYS 33 H CYS 33 -5.141 -8.483 1.125 268 HA CYS 33 HA CYS 33 -4.119 -5.831 1.242 269 HB2 CYS 33 HB2 CYS 33 -3.070 -8.207 -0.302 270 HB3 CYS 33 HB1 CYS 33 -2.162 -6.763 0.131 271 H GLN 34 H GLN 34 -5.491 -7.866 -1.263 272 HA GLN 34 HA GLN 34 -5.038 -6.099 -3.413 273 HB2 GLN 34 HB2 GLN 34 -6.937 -8.385 -3.024 274 HB3 GLN 34 HB1 GLN 34 -6.851 -7.467 -4.516 275 HG2 GLN 34 HG2 GLN 34 -4.535 -8.115 -4.820 276 HG3 GLN 34 HG1 GLN 34 -4.542 -8.941 -3.264 277 HE21 GLN 34 1HE2 GLN 34 -5.707 -9.009 -6.539 278 HE22 GLN 34 2HE2 GLN 34 -6.161 -10.678 -6.527 279 H GLN 35 H GLN 35 -7.583 -6.412 -1.062 280 HA GLN 35 HA GLN 35 -9.459 -4.647 -2.212 281 HB2 GLN 35 HB2 GLN 35 -8.851 -4.940 0.746 282 HB3 GLN 35 HB1 GLN 35 -10.315 -4.252 0.065 283 HG2 GLN 35 HG2 GLN 35 -9.413 -7.119 -0.063 284 HG3 GLN 35 HG1 GLN 35 -10.754 -6.471 0.884 285 HE21 GLN 35 1HE2 GLN 35 -9.636 -7.466 -2.182 286 HE22 GLN 35 2HE2 GLN 35 -11.145 -7.387 -3.015 287 H GLU 36 H GLU 36 -6.736 -4.101 -0.059 288 HA GLU 36 HA GLU 36 -6.809 -1.322 0.176 289 HB2 GLU 36 HB2 GLU 36 -4.516 -3.251 0.134 290 HB3 GLU 36 HB1 GLU 36 -4.345 -1.559 0.558 291 HG2 GLU 36 HG2 GLU 36 -6.143 -3.502 1.986 292 HG3 GLU 36 HG1 GLU 36 -4.497 -3.137 2.497 293 H TYR 37 H TYR 37 -5.148 -3.367 -2.121 294 HA TYR 37 HA TYR 37 -3.900 -1.528 -3.792 295 HB2 TYR 37 HB2 TYR 37 -3.544 -3.938 -4.011 296 HB3 TYR 37 HB1 TYR 37 -5.211 -4.158 -4.523 297 HD1 TYR 37 HD1 TYR 37 -1.918 -2.965 -5.512 298 HD2 TYR 37 HD2 TYR 37 -5.895 -3.616 -6.801 299 HE1 TYR 37 HE1 TYR 37 -1.203 -2.661 -7.842 300 HE2 TYR 37 HE2 TYR 37 -5.207 -3.313 -9.133 301 HH TYR 37 HH TYR 37 -3.344 -2.135 -10.339 302 H GLN 38 H GLN 38 -7.149 -2.916 -4.140 303 HA GLN 38 HA GLN 38 -7.737 -1.406 -6.462 304 HB2 GLN 38 HB2 GLN 38 -9.591 -2.921 -4.631 305 HB3 GLN 38 HB1 GLN 38 -10.056 -2.240 -6.181 306 HG2 GLN 38 HG2 GLN 38 -7.964 -4.378 -5.778 307 HG3 GLN 38 HG1 GLN 38 -9.631 -4.673 -6.252 308 HE21 GLN 38 1HE2 GLN 38 -9.009 -5.636 -8.175 309 HE22 GLN 38 2HE2 GLN 38 -8.365 -4.739 -9.502 310 H ARG 39 H ARG 39 -8.551 -0.918 -3.073 311 HA ARG 39 HA ARG 39 -10.433 1.109 -3.527 312 HB2 ARG 39 HB2 ARG 39 -10.205 1.703 -1.151 313 HB3 ARG 39 HB1 ARG 39 -10.367 -0.026 -1.397 314 HG2 ARG 39 HG2 ARG 39 -7.975 -0.292 -1.131 315 HG3 ARG 39 HG1 ARG 39 -7.789 1.423 -0.843 316 HD2 ARG 39 HD2 ARG 39 -9.368 -0.516 0.835 317 HD3 ARG 39 HD1 ARG 39 -7.787 0.140 1.231 318 HE ARG 39 HE ARG 39 -9.752 2.155 0.808 319 HH11 ARG 39 HH11 ARG 39 -8.260 -0.016 3.166 320 HH12 ARG 39 HH12 ARG 39 -8.892 0.804 4.527 321 HH21 ARG 39 HH21 ARG 39 -10.591 3.294 2.679 322 HH22 ARG 39 HH22 ARG 39 -10.241 2.741 4.247 323 H GLU 40 H GLU 40 -6.954 1.479 -2.801 324 HA GLU 40 HA GLU 40 -7.289 4.370 -3.189 325 HB2 GLU 40 HB2 GLU 40 -5.255 2.756 -1.673 326 HB3 GLU 40 HB1 GLU 40 -5.095 4.482 -1.956 327 HG2 GLU 40 HG2 GLU 40 -7.035 4.962 -0.694 328 HG3 GLU 40 HG1 GLU 40 -7.482 3.264 -0.606 329 H LYS 41 H LYS 41 -6.915 2.343 -5.318 330 HA LYS 41 HA LYS 41 -4.260 2.735 -6.254 331 HB2 LYS 41 HB2 LYS 41 -4.949 1.724 -8.387 332 HB3 LYS 41 HB1 LYS 41 -5.371 0.758 -6.991 333 HG2 LYS 41 HG2 LYS 41 -7.694 1.518 -7.185 334 HG3 LYS 41 HG1 LYS 41 -7.250 2.459 -8.616 335 HD2 LYS 41 HD2 LYS 41 -6.534 0.452 -9.753 336 HD3 LYS 41 HD1 LYS 41 -6.872 -0.515 -8.321 337 HE2 LYS 41 HE2 LYS 41 -9.251 0.072 -8.522 338 HE3 LYS 41 HE1 LYS 41 -8.886 0.996 -9.982 339 HZ1 LYS 41 HZ1 LYS 41 -8.375 -1.890 -9.605 340 HZ2 LYS 41 HZ2 LYS 41 -8.076 -1.037 -11.017 341 HZ3 LYS 41 HZ3 LYS 41 -9.672 -1.269 -10.489 342 H GLY 42 H GLY 42 -7.189 4.492 -6.835 343 HA2 GLY 42 HA2 GLY 42 -5.778 6.129 -8.818 344 HA3 GLY 42 HA1 GLY 42 -7.522 6.080 -8.592 345 H GLN 43 H GLN 43 -8.120 6.677 -6.266 346 HA GLN 43 HA GLN 43 -7.181 9.393 -5.902 347 HB2 GLN 43 HB2 GLN 43 -9.255 7.790 -4.390 348 HB3 GLN 43 HB1 GLN 43 -8.979 9.515 -4.228 349 HG2 GLN 43 HG2 GLN 43 -9.799 8.204 -6.798 350 HG3 GLN 43 HG1 GLN 43 -10.945 8.851 -5.630 351 HE21 GLN 43 1HE2 GLN 43 -11.716 10.307 -7.102 352 HE22 GLN 43 2HE2 GLN 43 -10.843 11.706 -7.589 353 H HIS 44 H HIS 44 -6.314 10.154 -3.886 354 HA HIS 44 HA HIS 44 -4.473 8.299 -2.735 355 HB2 HIS 44 HB2 HIS 44 -3.909 10.711 -3.001 356 HB3 HIS 44 HB1 HIS 44 -5.134 11.111 -1.804 357 HD1 HIS 44 HD1 HIS 44 -4.119 11.534 0.455 358 HD2 HIS 44 HD2 HIS 44 -1.925 8.782 -1.750 359 HE1 HIS 44 HE1 HIS 44 -2.156 10.899 1.891 360 H GLN 45 H GLN 45 -7.560 9.629 -1.784 361 HA GLN 45 HA GLN 45 -7.499 8.256 0.782 362 HB2 GLN 45 HB2 GLN 45 -9.730 9.706 -0.625 363 HB3 GLN 45 HB1 GLN 45 -9.766 9.102 1.017 364 HG2 GLN 45 HG2 GLN 45 -7.970 10.675 1.592 365 HG3 GLN 45 HG1 GLN 45 -8.046 11.318 -0.050 366 HE21 GLN 45 1HE2 GLN 45 -9.670 11.046 2.975 367 HE22 GLN 45 2HE2 GLN 45 -10.856 12.259 2.696 368 H GLY 46 H GLY 46 -7.962 7.480 -2.348 369 HA2 GLY 46 HA2 GLY 46 -8.930 5.792 -3.505 370 HA3 GLY 46 HA1 GLY 46 -9.149 4.978 -1.960 371 H GLU 47 H GLU 47 -11.166 4.225 -2.449 372 HA GLU 47 HA GLU 47 -13.244 6.153 -2.985 373 HB2 GLU 47 HB2 GLU 47 -13.270 3.144 -2.772 374 HB3 GLU 47 HB1 GLU 47 -14.733 4.100 -2.973 375 HG2 GLU 47 HG2 GLU 47 -12.405 4.075 -4.875 376 HG3 GLU 47 HG1 GLU 47 -13.905 3.171 -5.088 377 H THR 48 H THR 48 -12.789 7.219 -1.070 378 HA THR 48 HA THR 48 -13.267 5.935 1.424 379 HB THR 48 HB THR 48 -11.563 7.610 1.425 380 HG1 THR 48 HG1 THR 48 -13.032 9.309 2.769 381 HG21 THR 48 HG21 THR 48 -13.632 9.596 0.462 382 HG22 THR 48 HG22 THR 48 -12.277 8.970 -0.478 383 HG23 THR 48 HG23 THR 48 -11.977 9.996 0.925 384 H ASN 49 H ASN 49 -15.328 5.171 1.043 385 HA ASN 49 HA ASN 49 -17.336 7.050 1.936 386 HB2 ASN 49 HB2 ASN 49 -17.436 7.013 -0.595 387 HB3 ASN 49 HB1 ASN 49 -17.833 5.302 -0.487 388 HD21 ASN 49 HD21 ASN 49 -19.374 7.489 -1.567 389 HD22 ASN 49 HD22 ASN 49 -20.860 7.515 -0.703 Start of MODEL 20 1 H1 ARG 1 HT1 ARG 1 11.755 8.606 -11.115 2 H2 ARG 1 HT2 ARG 1 10.360 8.801 -12.018 3 H3 ARG 1 HT3 ARG 1 11.694 8.040 -12.716 4 HA ARG 1 HA ARG 1 9.987 6.453 -12.080 5 HB2 ARG 1 HB2 ARG 1 12.401 6.379 -10.254 6 HB3 ARG 1 HB1 ARG 1 11.287 5.047 -10.479 7 HG2 ARG 1 HG2 ARG 1 11.922 4.947 -12.848 8 HG3 ARG 1 HG1 ARG 1 13.078 6.251 -12.566 9 HD2 ARG 1 HD2 ARG 1 14.251 4.888 -10.943 10 HD3 ARG 1 HD1 ARG 1 13.084 3.587 -11.165 11 HE ARG 1 HE ARG 1 13.931 3.841 -13.618 12 HH11 ARG 1 HH11 ARG 1 15.831 3.856 -10.637 13 HH12 ARG 1 HH12 ARG 1 17.241 3.209 -11.334 14 HH21 ARG 1 HH21 ARG 1 15.864 2.934 -14.592 15 HH22 ARG 1 HH22 ARG 1 17.244 2.629 -13.656 16 H GLY 2 H GLY 2 8.573 5.643 -10.518 17 HA2 GLY 2 HA2 GLY 2 8.541 6.354 -7.856 18 HA3 GLY 2 HA1 GLY 2 7.564 7.533 -8.723 19 HA PRO 3 HA PRO 3 5.357 3.346 -8.901 20 HB2 PRO 3 HB2 PRO 3 5.604 1.802 -6.716 21 HB3 PRO 3 HB1 PRO 3 6.777 1.712 -8.037 22 HG2 PRO 3 HG2 PRO 3 7.003 3.076 -5.392 23 HG3 PRO 3 HG1 PRO 3 8.234 2.189 -6.307 24 HD2 PRO 3 HD2 PRO 3 7.989 4.951 -6.246 25 HD3 PRO 3 HD1 PRO 3 8.820 4.029 -7.513 26 H ASP 4 H ASP 4 3.589 2.436 -7.300 27 HA ASP 4 HA ASP 4 2.329 4.762 -6.108 28 HB2 ASP 4 HB2 ASP 4 1.319 1.927 -6.434 29 HB3 ASP 4 HB1 ASP 4 0.393 3.279 -5.807 30 H LYS 5 H LYS 5 2.212 5.045 -3.974 31 HA LYS 5 HA LYS 5 3.828 3.512 -2.231 32 HB2 LYS 5 HB2 LYS 5 2.830 4.794 -0.371 33 HB3 LYS 5 HB1 LYS 5 3.336 5.845 -1.680 34 HG2 LYS 5 HG2 LYS 5 0.958 5.967 -2.419 35 HG3 LYS 5 HG1 LYS 5 0.514 5.010 -1.008 36 HD2 LYS 5 HD2 LYS 5 1.905 7.696 -0.921 37 HD3 LYS 5 HD1 LYS 5 0.184 7.452 -0.672 38 HE2 LYS 5 HE2 LYS 5 2.392 6.304 1.053 39 HE3 LYS 5 HE1 LYS 5 1.423 7.716 1.442 40 HZ1 LYS 5 HZ1 LYS 5 0.618 5.740 2.574 41 HZ2 LYS 5 HZ2 LYS 5 0.364 4.943 1.129 42 HZ3 LYS 5 HZ3 LYS 5 -0.550 6.302 1.511 43 H SER 6 H SER 6 0.460 3.421 -2.992 44 HA SER 6 HA SER 6 -0.322 1.597 -0.987 45 HB2 SER 6 HB2 SER 6 -1.649 2.082 -3.627 46 HB3 SER 6 HB1 SER 6 -2.395 1.703 -2.068 47 HG SER 6 HG SER 6 -2.244 3.722 -1.472 48 H TYR 7 H TYR 7 0.884 1.284 -4.312 49 HA TYR 7 HA TYR 7 0.216 -1.506 -4.437 50 HB2 TYR 7 HB2 TYR 7 0.442 -0.033 -6.502 51 HB3 TYR 7 HB1 TYR 7 2.180 -0.052 -6.221 52 HD1 TYR 7 HD1 TYR 7 3.501 -1.939 -6.839 53 HD2 TYR 7 HD2 TYR 7 -0.736 -2.145 -7.094 54 HE1 TYR 7 HE1 TYR 7 3.681 -4.043 -8.100 55 HE2 TYR 7 HE2 TYR 7 -0.567 -4.251 -8.358 56 HH TYR 7 HH TYR 7 2.459 -5.934 -8.670 57 H LYS 8 H LYS 8 2.975 0.452 -3.591 58 HA LYS 8 HA LYS 8 4.915 -1.514 -3.320 59 HB2 LYS 8 HB2 LYS 8 5.320 0.911 -3.145 60 HB3 LYS 8 HB1 LYS 8 4.423 0.958 -1.639 61 HG2 LYS 8 HG2 LYS 8 6.124 -0.591 -0.671 62 HG3 LYS 8 HG1 LYS 8 7.059 -0.400 -2.154 63 HD2 LYS 8 HD2 LYS 8 6.233 1.826 -0.292 64 HD3 LYS 8 HD1 LYS 8 7.841 1.102 -0.361 65 HE2 LYS 8 HE2 LYS 8 8.050 1.872 -2.691 66 HE3 LYS 8 HE1 LYS 8 6.451 2.600 -2.581 67 HZ1 LYS 8 HZ1 LYS 8 7.308 4.002 -0.772 68 HZ2 LYS 8 HZ2 LYS 8 8.047 4.287 -2.233 69 HZ3 LYS 8 HZ3 LYS 8 8.869 3.409 -1.039 70 H ARG 9 H ARG 9 2.515 -0.236 -1.037 71 HA ARG 9 HA ARG 9 3.105 -1.994 1.079 72 HB2 ARG 9 HB2 ARG 9 0.576 -0.471 0.477 73 HB3 ARG 9 HB1 ARG 9 0.850 -1.375 1.959 74 HG2 ARG 9 HG2 ARG 9 2.418 0.996 0.984 75 HG3 ARG 9 HG1 ARG 9 1.288 0.962 2.336 76 HD2 ARG 9 HD2 ARG 9 3.925 -0.498 2.122 77 HD3 ARG 9 HD1 ARG 9 3.541 0.852 3.178 78 HE ARG 9 HE ARG 9 1.740 -0.922 3.977 79 HH11 ARG 9 HH11 ARG 9 5.205 -1.346 3.400 80 HH12 ARG 9 HH12 ARG 9 5.414 -2.519 4.613 81 HH21 ARG 9 HH21 ARG 9 2.015 -2.602 5.589 82 HH22 ARG 9 HH22 ARG 9 3.541 -3.286 5.858 83 H LEU 10 H LEU 10 0.748 -2.204 -1.518 84 HA LEU 10 HA LEU 10 -0.465 -4.581 -0.784 85 HB2 LEU 10 HB2 LEU 10 -1.347 -3.327 -2.613 86 HB3 LEU 10 HB1 LEU 10 0.153 -3.465 -3.503 87 HG LEU 10 HG LEU 10 -0.230 -5.816 -3.902 88 HD11 LEU 10 HD11 LEU 10 -2.724 -5.484 -2.240 89 HD12 LEU 10 HD12 LEU 10 -1.305 -6.505 -1.909 90 HD13 LEU 10 HD13 LEU 10 -2.360 -6.880 -3.263 91 HD21 LEU 10 HD21 LEU 10 -2.216 -5.661 -5.313 92 HD22 LEU 10 HD22 LEU 10 -1.173 -4.249 -5.479 93 HD23 LEU 10 HD23 LEU 10 -2.655 -4.145 -4.526 94 H GLN 11 H GLN 11 2.463 -4.137 -2.710 95 HA GLN 11 HA GLN 11 3.017 -6.825 -3.196 96 HB2 GLN 11 HB2 GLN 11 4.885 -4.482 -2.876 97 HB3 GLN 11 HB1 GLN 11 5.411 -6.074 -3.402 98 HG2 GLN 11 HG2 GLN 11 4.001 -5.930 -5.354 99 HG3 GLN 11 HG1 GLN 11 3.366 -4.378 -4.806 100 HE21 GLN 11 1HE2 GLN 11 4.634 -2.575 -4.962 101 HE22 GLN 11 2HE2 GLN 11 6.081 -2.524 -5.913 102 H GLU 12 H GLU 12 4.110 -4.758 -0.513 103 HA GLU 12 HA GLU 12 5.540 -6.757 0.799 104 HB2 GLU 12 HB2 GLU 12 4.209 -4.298 1.919 105 HB3 GLU 12 HB1 GLU 12 5.389 -5.288 2.770 106 HG2 GLU 12 HG2 GLU 12 5.846 -3.733 0.245 107 HG3 GLU 12 HG1 GLU 12 6.442 -3.326 1.851 108 H CYS 13 H CYS 13 2.202 -5.665 1.143 109 HA CYS 13 HA CYS 13 1.514 -7.213 3.349 110 HB2 CYS 13 HB2 CYS 13 0.176 -5.313 2.349 111 HB3 CYS 13 HB1 CYS 13 -0.353 -6.433 1.103 112 H GLN 14 H GLN 14 1.069 -7.966 -0.128 113 HA GLN 14 HA GLN 14 0.008 -10.521 0.429 114 HB2 GLN 14 HB2 GLN 14 0.423 -11.062 -1.989 115 HB3 GLN 14 HB1 GLN 14 -0.561 -9.646 -1.694 116 HG2 GLN 14 HG2 GLN 14 1.265 -8.199 -2.164 117 HG3 GLN 14 HG1 GLN 14 2.376 -9.566 -2.385 118 HE21 GLN 14 1HE2 GLN 14 -0.180 -7.681 -3.678 119 HE22 GLN 14 2HE2 GLN 14 -0.171 -8.336 -5.272 120 H ARG 15 H ARG 15 3.403 -9.541 -0.084 121 HA ARG 15 HA ARG 15 4.155 -12.253 -0.034 122 HB2 ARG 15 HB2 ARG 15 6.453 -11.590 -0.013 123 HB3 ARG 15 HB1 ARG 15 5.491 -10.672 -1.163 124 HG2 ARG 15 HG2 ARG 15 6.978 -9.254 -0.291 125 HG3 ARG 15 HG1 ARG 15 5.449 -8.837 0.484 126 HD2 ARG 15 HD2 ARG 15 6.164 -10.140 2.470 127 HD3 ARG 15 HD1 ARG 15 7.731 -10.409 1.692 128 HE ARG 15 HE ARG 15 7.400 -7.833 1.506 129 HH11 ARG 15 HH11 ARG 15 7.267 -10.038 4.274 130 HH12 ARG 15 HH12 ARG 15 7.751 -8.911 5.438 131 HH21 ARG 15 HH21 ARG 15 8.089 -6.237 3.103 132 HH22 ARG 15 HH22 ARG 15 8.221 -6.638 4.755 133 H ARG 16 H ARG 16 3.557 -9.982 2.446 134 HA ARG 16 HA ARG 16 4.694 -11.487 4.559 135 HB2 ARG 16 HB2 ARG 16 2.382 -9.554 4.531 136 HB3 ARG 16 HB1 ARG 16 2.990 -10.308 5.993 137 HG2 ARG 16 HG2 ARG 16 5.165 -9.242 5.598 138 HG3 ARG 16 HG1 ARG 16 4.492 -8.457 4.171 139 HD2 ARG 16 HD2 ARG 16 4.475 -6.984 6.131 140 HD3 ARG 16 HD1 ARG 16 2.852 -7.311 5.519 141 HE ARG 16 HE ARG 16 3.166 -9.195 7.444 142 HH11 ARG 16 HH11 ARG 16 3.595 -5.688 7.477 143 HH12 ARG 16 HH12 ARG 16 3.164 -5.508 9.114 144 HH21 ARG 16 HH21 ARG 16 2.547 -8.980 9.615 145 HH22 ARG 16 HH22 ARG 16 2.562 -7.447 10.385 146 H CYS 17 H CYS 17 1.510 -11.379 3.131 147 HA CYS 17 HA CYS 17 0.210 -13.254 4.686 148 HB2 CYS 17 HB2 CYS 17 -0.066 -12.747 1.738 149 HB3 CYS 17 HB1 CYS 17 -1.195 -13.681 2.705 150 H GLN 18 H GLN 18 2.361 -13.763 1.954 151 HA GLN 18 HA GLN 18 1.951 -16.554 1.731 152 HB2 GLN 18 HB2 GLN 18 4.233 -14.816 0.829 153 HB3 GLN 18 HB1 GLN 18 3.998 -16.491 0.332 154 HG2 GLN 18 HG2 GLN 18 1.810 -15.815 -0.617 155 HG3 GLN 18 HG1 GLN 18 2.190 -14.162 -0.200 156 HE21 GLN 18 1HE2 GLN 18 3.598 -13.014 -1.401 157 HE22 GLN 18 2HE2 GLN 18 4.317 -13.562 -2.872 158 H SER 19 H SER 19 3.653 -14.738 4.025 159 HA SER 19 HA SER 19 5.312 -17.028 4.775 160 HB2 SER 19 HB2 SER 19 5.404 -14.170 5.754 161 HB3 SER 19 HB1 SER 19 6.591 -15.432 6.085 162 HG SER 19 HG SER 19 7.141 -15.463 3.939 163 H GLU 20 H GLU 20 3.018 -14.639 6.119 164 HA GLU 20 HA GLU 20 2.927 -15.903 8.667 165 HB2 GLU 20 HB2 GLU 20 1.221 -13.721 7.483 166 HB3 GLU 20 HB1 GLU 20 1.265 -14.182 9.180 167 HG2 GLU 20 HG2 GLU 20 3.643 -13.568 9.259 168 HG3 GLU 20 HG1 GLU 20 3.554 -13.089 7.580 169 H GLN 21 H GLN 21 1.071 -16.212 5.691 170 HA GLN 21 HA GLN 21 -0.787 -17.946 7.136 171 HB2 GLN 21 HB2 GLN 21 -1.417 -16.137 4.794 172 HB3 GLN 21 HB1 GLN 21 -2.543 -17.231 5.575 173 HG2 GLN 21 HG2 GLN 21 -1.261 -14.801 6.822 174 HG3 GLN 21 HG1 GLN 21 -2.917 -14.914 6.239 175 HE21 GLN 21 1HE2 GLN 21 -1.962 -14.259 8.878 176 HE22 GLN 21 2HE2 GLN 21 -2.603 -15.448 9.962 177 H GLN 22 H GLN 22 -1.954 -19.371 5.412 178 HA GLN 22 HA GLN 22 -0.711 -19.920 2.934 179 HB2 GLN 22 HB2 GLN 22 -0.163 -22.287 3.414 180 HB3 GLN 22 HB1 GLN 22 0.881 -21.189 4.294 181 HG2 GLN 22 HG2 GLN 22 -0.413 -21.562 6.314 182 HG3 GLN 22 HG1 GLN 22 -1.527 -22.602 5.428 183 HE21 GLN 22 1HE2 GLN 22 0.093 -23.186 7.724 184 HE22 GLN 22 2HE2 GLN 22 1.118 -24.510 7.279 185 H GLY 23 H GLY 23 -1.882 -21.907 2.004 186 HA2 GLY 23 HA2 GLY 23 -3.904 -22.884 1.399 187 HA3 GLY 23 HA1 GLY 23 -4.289 -22.860 3.116 188 H GLN 24 H GLN 24 -6.349 -22.210 3.082 189 HA GLN 24 HA GLN 24 -7.452 -20.232 1.390 190 HB2 GLN 24 HB2 GLN 24 -8.387 -21.233 4.081 191 HB3 GLN 24 HB1 GLN 24 -9.309 -20.140 3.063 192 HG2 GLN 24 HG2 GLN 24 -9.438 -21.859 1.337 193 HG3 GLN 24 HG1 GLN 24 -8.490 -22.945 2.351 194 HE21 GLN 24 1HE2 GLN 24 -10.890 -20.801 3.730 195 HE22 GLN 24 2HE2 GLN 24 -12.021 -22.023 4.132 196 H ARG 25 H ARG 25 -5.909 -20.156 4.520 197 HA ARG 25 HA ARG 25 -6.522 -17.581 5.365 198 HB2 ARG 25 HB2 ARG 25 -4.009 -19.192 5.712 199 HB3 ARG 25 HB1 ARG 25 -4.379 -17.719 6.594 200 HG2 ARG 25 HG2 ARG 25 -6.084 -20.166 6.631 201 HG3 ARG 25 HG1 ARG 25 -4.830 -19.839 7.819 202 HD2 ARG 25 HD2 ARG 25 -7.318 -18.223 7.245 203 HD3 ARG 25 HD1 ARG 25 -6.931 -19.110 8.718 204 HE ARG 25 HE ARG 25 -4.884 -17.382 8.509 205 HH11 ARG 25 HH11 ARG 25 -8.394 -16.996 8.619 206 HH12 ARG 25 HH12 ARG 25 -8.346 -15.381 9.172 207 HH21 ARG 25 HH21 ARG 25 -4.823 -15.171 9.297 208 HH22 ARG 25 HH22 ARG 25 -6.267 -14.319 9.567 209 H LEU 26 H LEU 26 -3.989 -18.712 3.194 210 HA LEU 26 HA LEU 26 -2.748 -16.175 2.883 211 HB2 LEU 26 HB2 LEU 26 -1.433 -17.980 2.356 212 HB3 LEU 26 HB1 LEU 26 -2.614 -18.717 1.275 213 HG LEU 26 HG LEU 26 -2.151 -16.899 -0.356 214 HD11 LEU 26 HD11 LEU 26 -1.529 -15.154 1.143 215 HD12 LEU 26 HD12 LEU 26 -0.203 -15.440 0.013 216 HD13 LEU 26 HD13 LEU 26 -0.112 -16.044 1.675 217 HD21 LEU 26 HD21 LEU 26 -0.914 -18.982 -0.528 218 HD22 LEU 26 HD22 LEU 26 0.300 -18.363 0.595 219 HD23 LEU 26 HD23 LEU 26 0.101 -17.614 -0.988 220 H GLN 27 H GLN 27 -5.131 -17.933 1.047 221 HA GLN 27 HA GLN 27 -5.410 -16.165 -1.088 222 HB2 GLN 27 HB2 GLN 27 -7.426 -18.030 0.172 223 HB3 GLN 27 HB1 GLN 27 -7.616 -17.261 -1.403 224 HG2 GLN 27 HG2 GLN 27 -5.704 -18.416 -2.272 225 HG3 GLN 27 HG1 GLN 27 -5.317 -19.054 -0.682 226 HE21 GLN 27 1HE2 GLN 27 -5.337 -21.140 -1.477 227 HE22 GLN 27 2HE2 GLN 27 -6.792 -21.975 -1.834 228 H GLU 28 H GLU 28 -7.268 -16.382 1.939 229 HA GLU 28 HA GLU 28 -8.868 -14.141 1.649 230 HB2 GLU 28 HB2 GLU 28 -7.635 -15.378 4.100 231 HB3 GLU 28 HB1 GLU 28 -8.819 -14.082 4.161 232 HG2 GLU 28 HG2 GLU 28 -9.261 -16.745 2.875 233 HG3 GLU 28 HG1 GLU 28 -9.766 -16.330 4.508 234 H CYS 29 H CYS 29 -5.704 -14.420 3.227 235 HA CYS 29 HA CYS 29 -5.472 -11.798 4.096 236 HB2 CYS 29 HB2 CYS 29 -4.052 -13.692 4.827 237 HB3 CYS 29 HB1 CYS 29 -3.229 -13.640 3.280 238 H GLN 30 H GLN 30 -4.048 -13.219 1.121 239 HA GLN 30 HA GLN 30 -3.021 -10.725 0.274 240 HB2 GLN 30 HB2 GLN 30 -2.728 -11.701 -1.982 241 HB3 GLN 30 HB1 GLN 30 -2.066 -12.705 -0.705 242 HG2 GLN 30 HG2 GLN 30 -3.869 -14.238 -0.878 243 HG3 GLN 30 HG1 GLN 30 -4.754 -13.163 -1.960 244 HE21 GLN 30 1HE2 GLN 30 -1.994 -15.229 -1.647 245 HE22 GLN 30 2HE2 GLN 30 -1.757 -15.509 -3.332 246 H GLN 31 H GLN 31 -6.129 -12.251 -0.319 247 HA GLN 31 HA GLN 31 -7.026 -10.457 -2.296 248 HB2 GLN 31 HB2 GLN 31 -8.098 -12.659 -1.761 249 HB3 GLN 31 HB1 GLN 31 -8.676 -11.972 -0.255 250 HG2 GLN 31 HG2 GLN 31 -10.450 -11.996 -1.893 251 HG3 GLN 31 HG1 GLN 31 -10.000 -10.337 -1.512 252 HE21 GLN 31 1HE2 GLN 31 -8.158 -12.469 -3.641 253 HE22 GLN 31 2HE2 GLN 31 -8.443 -11.555 -5.068 254 H ARG 32 H ARG 32 -7.163 -10.453 1.222 255 HA ARG 32 HA ARG 32 -8.684 -8.090 1.479 256 HB2 ARG 32 HB2 ARG 32 -6.724 -9.313 3.424 257 HB3 ARG 32 HB1 ARG 32 -7.845 -8.017 3.812 258 HG2 ARG 32 HG2 ARG 32 -8.557 -10.825 2.999 259 HG3 ARG 32 HG1 ARG 32 -8.667 -10.147 4.618 260 HD2 ARG 32 HD2 ARG 32 -10.236 -9.224 2.202 261 HD3 ARG 32 HD1 ARG 32 -10.847 -10.244 3.496 262 HE ARG 32 HE ARG 32 -9.778 -7.731 4.398 263 HH11 ARG 32 HH11 ARG 32 -12.669 -9.325 3.136 264 HH12 ARG 32 HH12 ARG 32 -13.751 -8.318 3.967 265 HH21 ARG 32 HH21 ARG 32 -11.253 -6.330 5.492 266 HH22 ARG 32 HH22 ARG 32 -12.945 -6.539 5.311 267 H CYS 33 H CYS 33 -5.204 -8.677 1.341 268 HA CYS 33 HA CYS 33 -4.339 -6.037 1.704 269 HB2 CYS 33 HB2 CYS 33 -3.133 -8.152 -0.100 270 HB3 CYS 33 HB1 CYS 33 -2.321 -6.680 0.406 271 H GLN 34 H GLN 34 -5.461 -7.727 -1.163 272 HA GLN 34 HA GLN 34 -5.006 -5.636 -2.991 273 HB2 GLN 34 HB2 GLN 34 -6.902 -7.975 -3.071 274 HB3 GLN 34 HB1 GLN 34 -6.676 -6.880 -4.423 275 HG2 GLN 34 HG2 GLN 34 -4.303 -7.496 -4.512 276 HG3 GLN 34 HG1 GLN 34 -4.545 -8.590 -3.153 277 HE21 GLN 34 1HE2 GLN 34 -5.113 -8.038 -6.515 278 HE22 GLN 34 2HE2 GLN 34 -5.631 -9.635 -6.902 279 H GLN 35 H GLN 35 -7.732 -6.417 -0.925 280 HA GLN 35 HA GLN 35 -9.445 -4.400 -2.002 281 HB2 GLN 35 HB2 GLN 35 -9.579 -5.567 0.794 282 HB3 GLN 35 HB1 GLN 35 -10.862 -4.714 -0.040 283 HG2 GLN 35 HG2 GLN 35 -9.802 -7.476 -0.568 284 HG3 GLN 35 HG1 GLN 35 -11.428 -7.000 -0.089 285 HE21 GLN 35 1HE2 GLN 35 -9.244 -7.460 -2.641 286 HE22 GLN 35 2HE2 GLN 35 -10.296 -7.129 -3.959 287 H GLU 36 H GLU 36 -7.211 -4.569 0.711 288 HA GLU 36 HA GLU 36 -7.562 -2.013 1.766 289 HB2 GLU 36 HB2 GLU 36 -5.167 -3.789 1.636 290 HB3 GLU 36 HB1 GLU 36 -5.145 -2.243 2.457 291 HG2 GLU 36 HG2 GLU 36 -7.054 -3.100 3.862 292 HG3 GLU 36 HG1 GLU 36 -6.792 -4.677 3.110 293 H TYR 37 H TYR 37 -5.446 -3.158 -0.742 294 HA TYR 37 HA TYR 37 -4.077 -0.870 -1.476 295 HB2 TYR 37 HB2 TYR 37 -3.517 -2.913 -2.555 296 HB3 TYR 37 HB1 TYR 37 -5.156 -3.135 -3.147 297 HD1 TYR 37 HD1 TYR 37 -2.168 -0.946 -3.511 298 HD2 TYR 37 HD2 TYR 37 -5.758 -2.387 -5.269 299 HE1 TYR 37 HE1 TYR 37 -1.574 0.154 -5.616 300 HE2 TYR 37 HE2 TYR 37 -5.177 -1.299 -7.379 301 HH TYR 37 HH TYR 37 -2.098 -0.049 -8.044 302 H GLN 38 H GLN 38 -7.351 -1.799 -2.394 303 HA GLN 38 HA GLN 38 -7.776 0.392 -4.173 304 HB2 GLN 38 HB2 GLN 38 -9.771 -1.355 -2.741 305 HB3 GLN 38 HB1 GLN 38 -10.120 -0.302 -4.102 306 HG2 GLN 38 HG2 GLN 38 -8.669 -1.640 -5.522 307 HG3 GLN 38 HG1 GLN 38 -8.268 -2.669 -4.149 308 HE21 GLN 38 1HE2 GLN 38 -10.688 -1.794 -6.435 309 HE22 GLN 38 2HE2 GLN 38 -11.742 -3.132 -6.142 310 H ARG 39 H ARG 39 -7.938 -0.024 -0.823 311 HA ARG 39 HA ARG 39 -9.645 2.248 -0.350 312 HB2 ARG 39 HB2 ARG 39 -8.126 0.448 1.512 313 HB3 ARG 39 HB1 ARG 39 -9.152 1.762 2.048 314 HG2 ARG 39 HG2 ARG 39 -11.088 0.663 1.054 315 HG3 ARG 39 HG1 ARG 39 -10.048 -0.639 0.467 316 HD2 ARG 39 HD2 ARG 39 -9.424 -1.187 2.746 317 HD3 ARG 39 HD1 ARG 39 -10.425 0.131 3.351 318 HE ARG 39 HE ARG 39 -12.081 -1.447 1.859 319 HH11 ARG 39 HH11 ARG 39 -9.982 -1.975 4.647 320 HH12 ARG 39 HH12 ARG 39 -11.021 -3.080 5.419 321 HH21 ARG 39 HH21 ARG 39 -13.520 -3.041 2.887 322 HH22 ARG 39 HH22 ARG 39 -13.089 -3.692 4.393 323 H GLU 40 H GLU 40 -6.271 1.352 0.358 324 HA GLU 40 HA GLU 40 -5.804 4.086 1.159 325 HB2 GLU 40 HB2 GLU 40 -3.617 3.324 1.956 326 HB3 GLU 40 HB1 GLU 40 -4.935 2.392 2.628 327 HG2 GLU 40 HG2 GLU 40 -4.425 0.553 1.112 328 HG3 GLU 40 HG1 GLU 40 -3.133 1.505 0.381 329 H LYS 41 H LYS 41 -6.075 3.097 -1.793 330 HA LYS 41 HA LYS 41 -3.555 3.730 -2.946 331 HB2 LYS 41 HB2 LYS 41 -4.776 3.810 -5.089 332 HB3 LYS 41 HB1 LYS 41 -5.152 2.360 -4.166 333 HG2 LYS 41 HG2 LYS 41 -7.234 3.375 -3.421 334 HG3 LYS 41 HG1 LYS 41 -6.858 4.818 -4.361 335 HD2 LYS 41 HD2 LYS 41 -6.887 3.515 -6.403 336 HD3 LYS 41 HD1 LYS 41 -7.203 2.043 -5.478 337 HE2 LYS 41 HE2 LYS 41 -9.254 2.841 -6.380 338 HE3 LYS 41 HE1 LYS 41 -9.274 3.059 -4.641 339 HZ1 LYS 41 HZ1 LYS 41 -8.685 5.416 -4.982 340 HZ2 LYS 41 HZ2 LYS 41 -10.141 5.024 -5.707 341 HZ3 LYS 41 HZ3 LYS 41 -8.777 5.199 -6.649 342 H GLY 42 H GLY 42 -6.304 5.574 -1.982 343 HA2 GLY 42 HA2 GLY 42 -4.977 7.974 -3.009 344 HA3 GLY 42 HA1 GLY 42 -6.727 7.816 -2.870 345 H GLN 43 H GLN 43 -7.595 7.521 -0.711 346 HA GLN 43 HA GLN 43 -5.905 8.746 1.340 347 HB2 GLN 43 HB2 GLN 43 -8.893 9.032 0.910 348 HB3 GLN 43 HB1 GLN 43 -7.998 9.665 2.285 349 HG2 GLN 43 HG2 GLN 43 -7.477 10.469 -0.560 350 HG3 GLN 43 HG1 GLN 43 -8.514 11.359 0.554 351 HE21 GLN 43 1HE2 GLN 43 -5.229 10.455 -0.207 352 HE22 GLN 43 2HE2 GLN 43 -4.474 11.630 0.782 353 H HIS 44 H HIS 44 -5.870 7.728 3.278 354 HA HIS 44 HA HIS 44 -6.269 4.963 3.120 355 HB2 HIS 44 HB2 HIS 44 -5.364 6.706 5.368 356 HB3 HIS 44 HB1 HIS 44 -5.632 4.983 5.606 357 HD1 HIS 44 HD1 HIS 44 -3.692 3.525 5.081 358 HD2 HIS 44 HD2 HIS 44 -3.436 7.204 3.179 359 HE1 HIS 44 HE1 HIS 44 -1.444 3.569 3.935 360 H GLN 45 H GLN 45 -8.054 7.245 5.229 361 HA GLN 45 HA GLN 45 -9.655 5.068 6.148 362 HB2 GLN 45 HB2 GLN 45 -9.863 8.041 6.627 363 HB3 GLN 45 HB1 GLN 45 -10.972 6.866 7.305 364 HG2 GLN 45 HG2 GLN 45 -9.388 7.418 8.981 365 HG3 GLN 45 HG1 GLN 45 -9.023 5.787 8.436 366 HE21 GLN 45 1HE2 GLN 45 -6.903 5.829 9.067 367 HE22 GLN 45 2HE2 GLN 45 -5.719 6.846 8.352 368 H GLY 46 H GLY 46 -9.793 7.325 3.632 369 HA2 GLY 46 HA2 GLY 46 -11.160 7.036 1.738 370 HA3 GLY 46 HA1 GLY 46 -12.277 6.097 2.730 371 H GLU 47 H GLU 47 -11.955 8.910 1.171 372 HA GLU 47 HA GLU 47 -13.056 10.671 3.127 373 HB2 GLU 47 HB2 GLU 47 -12.842 10.995 0.134 374 HB3 GLU 47 HB1 GLU 47 -13.216 12.269 1.283 375 HG2 GLU 47 HG2 GLU 47 -10.631 10.732 1.142 376 HG3 GLU 47 HG1 GLU 47 -10.891 12.366 0.541 377 H THR 48 H THR 48 -15.105 11.200 3.427 378 HA THR 48 HA THR 48 -17.093 9.666 1.949 379 HB THR 48 HB THR 48 -17.088 9.393 4.426 380 HG1 THR 48 HG1 THR 48 -19.166 9.760 2.948 381 HG21 THR 48 HG21 THR 48 -16.302 11.601 5.100 382 HG22 THR 48 HG22 THR 48 -17.844 11.250 5.878 383 HG23 THR 48 HG23 THR 48 -17.784 12.335 4.491 384 H ASN 49 H ASN 49 -15.611 12.528 1.802 385 HA ASN 49 HA ASN 49 -17.985 14.009 0.993 386 HB2 ASN 49 HB2 ASN 49 -15.180 14.988 1.583 387 HB3 ASN 49 HB1 ASN 49 -16.442 16.001 0.896 388 HD21 ASN 49 HD21 ASN 49 -18.204 16.575 2.204 389 HD22 ASN 49 HD22 ASN 49 -18.124 16.465 3.924
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