NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
562348 | 2m75 | 19210 | cing | 1-original | 7 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H GLY 1 1HT GLY 1 1.974 18.100 6.357 2 HA2 GLY 1 1HA GLY 1 2.238 16.220 8.605 3 HA3 GLY 1 2HA GLY 1 1.192 17.632 8.759 4 H LYS 2 H LYS 2 1.171 14.446 7.886 5 HA LYS 2 HA LYS 2 -0.953 14.824 5.826 6 HB2 LYS 2 2HB LYS 2 0.865 12.525 6.528 7 HB3 LYS 2 1HB LYS 2 -0.614 12.254 5.607 8 HG2 LYS 2 2HG LYS 2 0.417 12.954 3.736 9 HG3 LYS 2 1HG LYS 2 0.716 14.521 4.487 10 HD2 LYS 2 2HD LYS 2 2.910 13.958 4.279 11 HD3 LYS 2 1HD LYS 2 2.614 12.972 5.711 12 HE2 LYS 2 2HE LYS 2 2.940 11.076 4.540 13 HE3 LYS 2 1HE LYS 2 1.752 11.566 3.332 14 HZ1 LYS 2 3HZ LYS 2 3.951 11.284 2.363 15 HZ2 LYS 2 1HZ LYS 2 4.587 12.446 3.422 16 HZ3 LYS 2 2HZ LYS 2 3.441 12.901 2.252 17 H GLU 3 H GLU 3 -3.020 14.608 6.500 18 HA GLU 3 HA GLU 3 -3.532 13.012 8.983 19 HB2 GLU 3 2HB GLU 3 -4.837 15.516 7.908 20 HB3 GLU 3 1HB GLU 3 -5.638 14.492 9.100 21 HG2 GLU 3 2HG GLU 3 -4.289 15.195 10.780 22 HG3 GLU 3 1HG GLU 3 -2.844 15.099 9.773 23 H CYS 4 H CYS 4 -3.649 12.610 5.824 24 HA CYS 4 HA CYS 4 -6.253 11.139 5.934 25 HB2 CYS 4 2HB CYS 4 -5.093 12.786 3.670 26 HB3 CYS 4 1HB CYS 4 -6.406 11.637 3.436 27 H ASP 5 H ASP 5 -5.268 9.154 6.352 28 HA ASP 5 HA ASP 5 -2.968 8.218 4.844 29 HB2 ASP 5 2HB ASP 5 -4.299 7.458 7.200 30 HB3 ASP 5 1HB ASP 5 -4.531 6.108 6.089 31 H CYS 6 H CYS 6 -6.253 8.509 4.124 32 HA CYS 6 HA CYS 6 -5.938 6.542 1.900 33 HB2 CYS 6 2HB CYS 6 -8.324 5.919 2.172 34 HB3 CYS 6 1HB CYS 6 -7.376 5.514 3.603 35 H SER 7 H SER 7 -7.472 7.025 0.079 36 HA SER 7 HA SER 7 -7.817 9.976 -0.169 37 HB2 SER 7 2HB SER 7 -7.817 9.585 -2.589 38 HB3 SER 7 1HB SER 7 -6.394 8.841 -1.864 39 HG SER 7 HG SER 7 -7.217 7.245 -3.070 40 H SER 8 H SER 8 -9.548 6.955 -0.101 41 HA SER 8 HA SER 8 -12.013 8.191 -1.153 42 HB2 SER 8 2HB SER 8 -11.588 5.413 -0.022 43 HB3 SER 8 1HB SER 8 -12.978 5.966 -0.951 44 HG SER 8 HG SER 8 -11.748 5.122 -2.492 45 HA PRO 9 HA PRO 9 -13.126 9.264 3.040 46 HB2 PRO 9 2HB PRO 9 -15.474 10.522 2.358 47 HB3 PRO 9 1HB PRO 9 -13.878 11.280 2.209 48 HG2 PRO 9 2HG PRO 9 -15.649 10.193 0.069 49 HG3 PRO 9 1HG PRO 9 -14.418 11.464 -0.030 50 HD2 PRO 9 2HD PRO 9 -14.108 8.787 -0.896 51 HD3 PRO 9 1HD PRO 9 -12.802 9.972 -0.676 52 H GLU 10 H GLU 10 -14.931 7.348 0.778 53 HA GLU 10 HA GLU 10 -16.980 6.578 2.754 54 HB2 GLU 10 2HB GLU 10 -16.424 5.797 -0.114 55 HB3 GLU 10 1HB GLU 10 -17.642 4.972 0.859 56 HG2 GLU 10 2HG GLU 10 -18.548 7.351 1.362 57 HG3 GLU 10 1HG GLU 10 -17.581 7.853 -0.025 58 H ASN 11 H ASN 11 -13.849 5.898 2.580 59 HA ASN 11 HA ASN 11 -13.889 2.985 2.651 60 HB2 ASN 11 2HB ASN 11 -11.924 4.439 1.933 61 HB3 ASN 11 1HB ASN 11 -11.687 4.805 3.641 62 HD21 ASN 11 1HD2 ASN 11 -10.399 2.882 1.360 63 HD22 ASN 11 2HD2 ASN 11 -10.024 1.503 2.277 64 HA PRO 12 HA PRO 12 -15.049 2.880 6.948 65 HB2 PRO 12 2HB PRO 12 -14.942 0.144 7.187 66 HB3 PRO 12 1HB PRO 12 -16.290 1.009 6.428 67 HG2 PRO 12 2HG PRO 12 -14.118 -0.577 5.143 68 HG3 PRO 12 1HG PRO 12 -15.754 -0.236 4.558 69 HD2 PRO 12 2HD PRO 12 -13.379 1.053 3.704 70 HD3 PRO 12 1HD PRO 12 -15.040 1.587 3.367 71 H CYS 13 H CYS 13 -12.181 1.273 5.645 72 HA CYS 13 HA CYS 13 -10.983 0.541 8.130 73 HB2 CYS 13 2HB CYS 13 -10.325 -0.069 5.668 74 HB3 CYS 13 1HB CYS 13 -9.335 1.390 5.765 75 H CYS 14 H CYS 14 -10.543 3.480 6.125 76 HA CYS 14 HA CYS 14 -9.044 4.693 8.389 77 HB2 CYS 14 2HB CYS 14 -8.337 6.384 6.813 78 HB3 CYS 14 1HB CYS 14 -8.126 4.811 6.045 79 H ASP 15 H ASP 15 -9.944 6.258 9.645 80 HA ASP 15 HA ASP 15 -12.710 6.792 9.693 81 HB2 ASP 15 2HB ASP 15 -10.819 7.352 11.424 82 HB3 ASP 15 1HB ASP 15 -10.724 8.883 10.550 83 H ALA 16 H ALA 16 -14.000 8.284 8.632 84 HA ALA 16 HA ALA 16 -12.987 9.478 6.197 85 HB1 ALA 16 1HB ALA 16 -15.384 10.712 6.578 86 HB2 ALA 16 2HB ALA 16 -15.591 9.288 7.600 87 HB3 ALA 16 3HB ALA 16 -15.218 9.097 5.887 88 H ALA 17 H ALA 17 -14.099 10.841 9.309 89 HA ALA 17 HA ALA 17 -13.616 13.567 8.674 90 HB1 ALA 17 1HB ALA 17 -14.540 12.184 10.884 91 HB2 ALA 17 2HB ALA 17 -14.252 13.923 10.821 92 HB3 ALA 17 3HB ALA 17 -13.008 12.846 11.455 93 H THR 18 H THR 18 -11.455 11.108 10.085 94 HA THR 18 HA THR 18 -9.211 13.058 9.875 95 HB THR 18 HB THR 18 -8.117 11.862 11.529 96 HG1 THR 18 1HG THR 18 -9.044 9.539 11.816 97 HG21 THR 18 3HG2 THR 18 -10.740 10.711 12.326 98 HG22 THR 18 1HG2 THR 18 -10.689 12.454 12.069 99 HG23 THR 18 2HG2 THR 18 -9.619 11.706 13.254 100 H CYS 19 H CYS 19 -10.644 11.017 7.854 101 HA CYS 19 HA CYS 19 -9.928 9.469 6.200 102 HB2 CYS 19 2HB CYS 19 -7.914 10.653 4.924 103 HB3 CYS 19 1HB CYS 19 -9.552 11.273 4.826 104 H LYS 20 H LYS 20 -8.707 8.840 8.768 105 HA LYS 20 HA LYS 20 -6.215 7.589 7.703 106 HB2 LYS 20 2HB LYS 20 -6.461 8.879 10.436 107 HB3 LYS 20 1HB LYS 20 -5.047 8.029 9.812 108 HG2 LYS 20 2HG LYS 20 -5.804 10.007 7.892 109 HG3 LYS 20 1HG LYS 20 -5.736 10.780 9.475 110 HD2 LYS 20 2HD LYS 20 -3.541 9.054 8.293 111 HD3 LYS 20 1HD LYS 20 -3.530 10.818 8.340 112 HE2 LYS 20 2HE LYS 20 -3.193 10.894 10.625 113 HE3 LYS 20 1HE LYS 20 -4.003 9.353 10.902 114 HZ1 LYS 20 3HZ LYS 20 -1.333 9.715 9.656 115 HZ2 LYS 20 1HZ LYS 20 -2.115 8.228 9.885 116 HZ3 LYS 20 2HZ LYS 20 -1.631 9.146 11.229 117 H LEU 21 H LEU 21 -5.590 5.635 8.908 118 HA LEU 21 HA LEU 21 -7.693 3.838 9.376 119 HB2 LEU 21 2HB LEU 21 -4.906 3.837 10.571 120 HB3 LEU 21 1HB LEU 21 -6.004 2.457 10.590 121 HG LEU 21 HG LEU 21 -5.828 3.525 7.915 122 HD11 LEU 21 1HD1 LEU 21 -3.619 4.341 8.584 123 HD12 LEU 21 2HD1 LEU 21 -3.439 2.953 7.511 124 HD13 LEU 21 3HD1 LEU 21 -3.212 2.758 9.249 125 HD21 LEU 21 3HD2 LEU 21 -6.350 1.321 7.787 126 HD22 LEU 21 1HD2 LEU 21 -5.668 0.987 9.378 127 HD23 LEU 21 2HD2 LEU 21 -4.619 1.029 7.961 128 H ARG 22 H ARG 22 -9.235 3.895 10.924 129 HA ARG 22 HA ARG 22 -8.901 5.515 13.327 130 HB2 ARG 22 2HB ARG 22 -11.073 4.593 11.848 131 HB3 ARG 22 1HB ARG 22 -11.166 3.674 13.352 132 HG2 ARG 22 2HG ARG 22 -10.502 6.477 13.821 133 HG3 ARG 22 1HG ARG 22 -12.044 6.291 12.986 134 HD2 ARG 22 2HD ARG 22 -12.872 4.807 14.708 135 HD3 ARG 22 1HD ARG 22 -11.292 4.759 15.491 136 HE ARG 22 HE ARG 22 -12.465 7.443 15.263 137 HH11 ARG 22 1HH1 ARG 22 -12.905 4.548 16.999 138 HH12 ARG 22 2HH1 ARG 22 -12.876 5.300 18.559 139 HH21 ARG 22 1HH2 ARG 22 -12.068 8.437 17.326 140 HH22 ARG 22 2HH2 ARG 22 -12.405 7.501 18.744 141 HA PRO 23 HA PRO 23 -8.942 1.223 15.427 142 HB2 PRO 23 2HB PRO 23 -8.852 -0.990 13.797 143 HB3 PRO 23 1HB PRO 23 -10.359 -0.229 14.336 144 HG2 PRO 23 2HG PRO 23 -9.067 -0.134 11.653 145 HG3 PRO 23 1HG PRO 23 -10.774 0.062 12.084 146 HD2 PRO 23 2HD PRO 23 -8.957 2.143 11.456 147 HD3 PRO 23 1HD PRO 23 -10.572 2.343 12.168 148 H GLY 24 H GLY 24 -7.366 -1.084 14.931 149 HA2 GLY 24 2HA GLY 24 -4.689 0.152 14.814 150 HA3 GLY 24 1HA GLY 24 -5.045 -1.502 15.314 151 H ALA 25 H ALA 25 -6.527 -0.398 12.393 152 HA ALA 25 HA ALA 25 -5.247 -2.452 10.832 153 HB1 ALA 25 1HB ALA 25 -7.209 -0.283 10.359 154 HB2 ALA 25 2HB ALA 25 -7.228 -1.959 9.807 155 HB3 ALA 25 3HB ALA 25 -6.261 -0.759 8.950 156 H GLN 26 H GLN 26 -3.477 -2.309 9.446 157 HA GLN 26 HA GLN 26 -1.599 -0.159 9.904 158 HB2 GLN 26 2HB GLN 26 -1.649 -2.475 7.958 159 HB3 GLN 26 1HB GLN 26 -0.314 -1.327 8.042 160 HG2 GLN 26 2HG GLN 26 -1.326 -2.965 10.385 161 HG3 GLN 26 1HG GLN 26 0.098 -3.360 9.423 162 HE21 GLN 26 1HE2 GLN 26 -0.347 -2.341 12.363 163 HE22 GLN 26 2HE2 GLN 26 0.782 -1.081 12.498 164 H CYS 27 H CYS 27 -3.315 -1.190 6.921 165 HA CYS 27 HA CYS 27 -3.218 1.666 6.056 166 HB2 CYS 27 2HB CYS 27 -1.643 0.935 4.570 167 HB3 CYS 27 1HB CYS 27 -2.128 -0.747 4.723 168 H GLY 28 H GLY 28 -4.965 2.295 4.661 169 HA2 GLY 28 2HA GLY 28 -7.389 0.621 5.035 170 HA3 GLY 28 1HA GLY 28 -7.386 2.333 4.618 171 H GLU 29 H GLU 29 -5.302 1.998 2.580 172 HA GLU 29 HA GLU 29 -6.559 0.199 0.605 173 HB2 GLU 29 2HB GLU 29 -7.086 1.882 -0.953 174 HB3 GLU 29 1HB GLU 29 -7.652 2.538 0.575 175 HG2 GLU 29 2HG GLU 29 -6.442 4.366 -0.063 176 HG3 GLU 29 1HG GLU 29 -5.093 3.439 0.594 177 H GLY 30 H GLY 30 -5.025 -0.643 -0.776 178 HA2 GLY 30 2HA GLY 30 -2.789 0.496 -1.900 179 HA3 GLY 30 1HA GLY 30 -2.227 0.057 -0.288 180 H LEU 31 H LEU 31 -1.102 -1.152 -2.543 181 HA LEU 31 HA LEU 31 -2.390 -3.686 -3.139 182 HB2 LEU 31 2HB LEU 31 0.470 -2.751 -3.540 183 HB3 LEU 31 1HB LEU 31 -0.197 -4.247 -4.194 184 HG LEU 31 HG LEU 31 -1.278 -1.476 -4.779 185 HD11 LEU 31 1HD1 LEU 31 1.068 -2.429 -5.719 186 HD12 LEU 31 2HD1 LEU 31 -0.003 -1.412 -6.684 187 HD13 LEU 31 3HD1 LEU 31 -0.032 -3.164 -6.886 188 HD21 LEU 31 3HD2 LEU 31 -3.102 -2.800 -5.221 189 HD22 LEU 31 1HD2 LEU 31 -2.127 -4.257 -5.412 190 HD23 LEU 31 2HD2 LEU 31 -2.231 -3.086 -6.727 191 H CYS 32 H CYS 32 0.060 -2.575 -0.852 192 HA CYS 32 HA CYS 32 0.517 -5.328 0.122 193 HB2 CYS 32 2HB CYS 32 2.083 -3.024 0.029 194 HB3 CYS 32 1HB CYS 32 1.648 -3.171 1.731 195 H CYS 33 H CYS 33 -2.105 -3.760 0.422 196 HA CYS 33 HA CYS 33 -2.244 -3.706 3.400 197 HB2 CYS 33 2HB CYS 33 -4.320 -2.709 1.441 198 HB3 CYS 33 1HB CYS 33 -4.212 -2.348 3.163 199 H GLU 34 H GLU 34 -2.433 -5.986 3.722 200 HA GLU 34 HA GLU 34 -4.768 -7.331 2.464 201 HB2 GLU 34 2HB GLU 34 -2.222 -8.216 3.703 202 HB3 GLU 34 1HB GLU 34 -3.623 -9.232 4.046 203 HG2 GLU 34 2HG GLU 34 -4.013 -8.903 1.416 204 HG3 GLU 34 1HG GLU 34 -2.262 -8.693 1.447 205 H GLN 35 H GLN 35 -6.655 -7.183 3.591 206 HA GLN 35 HA GLN 35 -8.129 -7.054 5.415 207 HB2 GLN 35 2HB GLN 35 -6.136 -8.944 6.119 208 HB3 GLN 35 1HB GLN 35 -6.360 -7.912 7.532 209 HG2 GLN 35 2HG GLN 35 -8.263 -9.010 8.006 210 HG3 GLN 35 1HG GLN 35 -8.946 -8.446 6.480 211 HE21 GLN 35 1HE2 GLN 35 -8.861 -9.905 4.630 212 HE22 GLN 35 2HE2 GLN 35 -8.482 -11.549 4.813 213 H CYS 36 H CYS 36 -6.570 -4.788 4.704 214 HA CYS 36 HA CYS 36 -6.050 -2.661 5.535 215 HB2 CYS 36 2HB CYS 36 -7.604 -3.852 7.819 216 HB3 CYS 36 1HB CYS 36 -6.775 -2.312 8.021 217 H LYS 37 H LYS 37 -4.427 -5.280 6.119 218 HA LYS 37 HA LYS 37 -2.628 -4.067 8.178 219 HB2 LYS 37 2HB LYS 37 -3.358 -6.898 7.506 220 HB3 LYS 37 1HB LYS 37 -1.740 -6.573 8.129 221 HG2 LYS 37 2HG LYS 37 -2.607 -5.622 10.146 222 HG3 LYS 37 1HG LYS 37 -4.245 -5.562 9.492 223 HD2 LYS 37 2HD LYS 37 -3.928 -8.162 9.231 224 HD3 LYS 37 1HD LYS 37 -2.678 -7.936 10.456 225 HE2 LYS 37 2HE LYS 37 -4.871 -6.443 11.374 226 HE3 LYS 37 1HE LYS 37 -5.564 -7.948 10.771 227 HZ1 LYS 37 3HZ LYS 37 -4.572 -7.735 13.193 228 HZ2 LYS 37 1HZ LYS 37 -3.137 -8.136 12.383 229 HZ3 LYS 37 2HZ LYS 37 -4.476 -9.181 12.307 230 H PHE 38 H PHE 38 -0.276 -4.463 7.755 231 HA PHE 38 HA PHE 38 0.360 -3.888 4.961 232 HB2 PHE 38 2HB PHE 38 1.941 -4.167 7.508 233 HB3 PHE 38 1HB PHE 38 2.776 -4.162 5.960 234 HD1 PHE 38 1HD PHE 38 -0.185 -2.270 5.609 235 HD2 PHE 38 2HD PHE 38 3.773 -2.063 7.269 236 HE1 PHE 38 1HE PHE 38 -0.287 0.203 5.558 237 HE2 PHE 38 2HE PHE 38 3.665 0.412 7.217 238 HZ PHE 38 HZ PHE 38 1.633 1.545 6.360 239 H SER 39 H SER 39 0.688 -5.463 3.451 240 HA SER 39 HA SER 39 0.673 -8.249 4.090 241 HB2 SER 39 2HB SER 39 2.021 -7.269 1.598 242 HB3 SER 39 1HB SER 39 0.910 -8.619 1.807 243 HG SER 39 HG SER 39 -0.611 -7.289 1.263 244 H ARG 40 H ARG 40 3.221 -8.545 2.184 245 HA ARG 40 HA ARG 40 5.205 -8.155 4.381 246 HB2 ARG 40 2HB ARG 40 4.762 -10.603 2.658 247 HB3 ARG 40 1HB ARG 40 6.254 -10.330 3.561 248 HG2 ARG 40 2HG ARG 40 5.249 -11.210 5.373 249 HG3 ARG 40 1HG ARG 40 4.159 -9.822 5.379 250 HD2 ARG 40 2HD ARG 40 2.865 -11.904 5.311 251 HD3 ARG 40 1HD ARG 40 2.661 -11.013 3.801 252 HE ARG 40 HE ARG 40 3.541 -12.918 2.751 253 HH11 ARG 40 1HH2 ARG 40 6.311 -12.317 3.720 254 HH12 ARG 40 2HH2 ARG 40 6.724 -13.771 4.566 255 HH21 ARG 40 1HH1 ARG 40 3.447 -14.889 4.783 256 HH22 ARG 40 2HH1 ARG 40 5.102 -15.229 5.166 257 H ALA 41 H ALA 41 7.399 -7.888 3.640 258 HA ALA 41 HA ALA 41 7.628 -6.328 1.232 259 HB1 ALA 41 1HB ALA 41 9.978 -7.554 2.669 260 HB2 ALA 41 2HB ALA 41 9.068 -6.235 3.405 261 HB3 ALA 41 3HB ALA 41 9.877 -5.992 1.857 262 H GLY 42 H GLY 42 9.381 -6.944 -0.450 263 HA2 GLY 42 2HA GLY 42 10.186 -8.476 -2.051 264 HA3 GLY 42 1HA GLY 42 9.952 -9.751 -0.853 265 H LYS 43 H LYS 43 7.302 -7.629 -1.591 266 HA LYS 43 HA LYS 43 5.883 -9.969 -2.794 267 HB2 LYS 43 2HB LYS 43 4.517 -9.150 -1.107 268 HB3 LYS 43 1HB LYS 43 5.014 -7.487 -1.369 269 HG2 LYS 43 2HG LYS 43 3.575 -8.782 -3.622 270 HG3 LYS 43 1HG LYS 43 2.623 -8.448 -2.181 271 HD2 LYS 43 2HD LYS 43 4.393 -6.255 -3.099 272 HD3 LYS 43 1HD LYS 43 3.009 -6.619 -4.126 273 HE2 LYS 43 2HE LYS 43 2.665 -6.331 -1.150 274 HE3 LYS 43 1HE LYS 43 2.697 -4.907 -2.190 275 HZ1 LYS 43 3HZ LYS 43 1.034 -6.914 -3.295 276 HZ2 LYS 43 1HZ LYS 43 0.641 -5.324 -2.857 277 HZ3 LYS 43 2HZ LYS 43 0.549 -6.568 -1.704 278 H ILE 44 H ILE 44 5.750 -10.064 -4.965 279 HA ILE 44 HA ILE 44 6.565 -7.978 -6.724 280 HB ILE 44 HB ILE 44 6.517 -10.297 -7.461 281 HG12 ILE 44 2HG1 ILE 44 5.234 -10.026 -9.587 282 HG13 ILE 44 1HG1 ILE 44 4.486 -8.576 -8.920 283 HG21 ILE 44 1HG2 ILE 44 3.826 -10.845 -7.969 284 HG22 ILE 44 2HG2 ILE 44 3.829 -10.148 -6.349 285 HG23 ILE 44 3HG2 ILE 44 4.814 -11.568 -6.701 286 HD11 ILE 44 3HD1 ILE 44 6.354 -7.869 -10.272 287 HD12 ILE 44 1HD1 ILE 44 7.429 -9.021 -9.478 288 HD13 ILE 44 2HD1 ILE 44 6.803 -7.635 -8.584 289 H CYS 45 H CYS 45 5.336 -6.159 -5.750 290 HA CYS 45 HA CYS 45 2.441 -6.063 -5.954 291 HB2 CYS 45 2HB CYS 45 2.826 -3.581 -5.628 292 HB3 CYS 45 1HB CYS 45 3.489 -4.602 -4.353 293 H ARG 46 H ARG 46 5.078 -5.492 -8.118 294 HA ARG 46 HA ARG 46 3.151 -4.898 -10.280 295 HB2 ARG 46 2HB ARG 46 4.860 -2.889 -9.044 296 HB3 ARG 46 1HB ARG 46 5.201 -3.059 -10.766 297 HG2 ARG 46 2HG ARG 46 2.331 -3.071 -10.138 298 HG3 ARG 46 1HG ARG 46 3.141 -1.566 -9.700 299 HD2 ARG 46 2HD ARG 46 3.756 -1.096 -11.891 300 HD3 ARG 46 1HD ARG 46 3.715 -2.792 -12.374 301 HE ARG 46 HE ARG 46 1.070 -2.149 -11.737 302 HH11 ARG 46 1HH2 ARG 46 2.445 -2.811 -14.480 303 HH12 ARG 46 2HH2 ARG 46 1.827 -1.504 -15.433 304 HH21 ARG 46 1HH1 ARG 46 0.727 0.322 -12.698 305 HH22 ARG 46 2HH1 ARG 46 0.853 0.270 -14.425 306 H ILE 47 H ILE 47 3.882 -5.650 -12.266 307 HA ILE 47 HA ILE 47 6.561 -6.972 -12.241 308 HB ILE 47 HB ILE 47 4.566 -8.435 -12.622 309 HG12 ILE 47 2HG1 ILE 47 5.445 -9.273 -14.952 310 HG13 ILE 47 1HG1 ILE 47 6.683 -8.038 -14.724 311 HG21 ILE 47 1HG2 ILE 47 3.281 -6.607 -13.833 312 HG22 ILE 47 2HG2 ILE 47 3.237 -8.191 -14.610 313 HG23 ILE 47 3HG2 ILE 47 4.299 -6.930 -15.237 314 HD11 ILE 47 3HD1 ILE 47 6.205 -9.695 -12.340 315 HD12 ILE 47 1HD1 ILE 47 7.727 -9.219 -13.091 316 HD13 ILE 47 2HD1 ILE 47 6.826 -10.596 -13.723 317 H ALA 48 H ALA 48 8.104 -5.939 -13.413 318 HA ALA 48 HA ALA 48 7.330 -3.818 -15.292 319 HB1 ALA 48 1HB ALA 48 9.802 -3.499 -15.510 320 HB2 ALA 48 2HB ALA 48 10.039 -4.879 -14.438 321 HB3 ALA 48 3HB ALA 48 9.244 -3.423 -13.839 322 H ARG 49 H ARG 49 8.595 -3.797 -17.461 323 HA ARG 49 HA ARG 49 8.682 -6.555 -18.610 324 HB2 ARG 49 2HB ARG 49 7.560 -4.110 -20.009 325 HB3 ARG 49 1HB ARG 49 7.546 -5.772 -20.602 326 HG2 ARG 49 2HG ARG 49 6.359 -5.457 -17.929 327 HG3 ARG 49 1HG ARG 49 5.492 -4.596 -19.201 328 HD2 ARG 49 2HD ARG 49 6.274 -7.524 -19.299 329 HD3 ARG 49 1HD ARG 49 4.658 -6.917 -18.938 330 HE ARG 49 HE ARG 49 5.699 -5.925 -21.474 331 HH11 ARG 49 1HH2 ARG 49 5.086 -9.028 -20.369 332 HH12 ARG 49 2HH2 ARG 49 3.854 -9.392 -21.529 333 HH21 ARG 49 1HH1 ARG 49 3.674 -6.151 -22.750 334 HH22 ARG 49 2HH1 ARG 49 3.054 -7.763 -22.877 335 H GLY 50 H GLY 50 10.534 -6.939 -19.746 336 HA2 GLY 50 2HA GLY 50 12.047 -5.854 -21.538 337 HA3 GLY 50 1HA GLY 50 12.276 -4.585 -20.338 338 H ASP 51 H ASP 51 13.717 -4.943 -18.661 339 HA ASP 51 HA ASP 51 14.669 -7.588 -17.950 340 HB2 ASP 51 2HB ASP 51 16.927 -7.423 -18.785 341 HB3 ASP 51 1HB ASP 51 15.838 -7.159 -20.147 342 H TRP 52 H TRP 52 13.662 -5.915 -16.198 343 HA TRP 52 HA TRP 52 16.043 -4.797 -14.787 344 HB2 TRP 52 2HB TRP 52 13.859 -3.263 -13.922 345 HB3 TRP 52 1HB TRP 52 15.174 -2.724 -14.961 346 HD1 TRP 52 HD TRP 52 11.830 -4.644 -15.396 347 HE1 TRP 52 1HE TRP 52 10.739 -3.846 -17.591 348 HE3 TRP 52 3HE TRP 52 15.397 -1.370 -17.015 349 HZ2 TRP 52 2HZ TRP 52 11.305 -2.059 -19.750 350 HZ3 TRP 52 3HZ TRP 52 15.098 -0.134 -19.143 351 HH2 TRP 52 HH TRP 52 13.059 -0.473 -20.511 352 H ASN 53 H ASN 53 14.701 -4.037 -12.440 353 HA ASN 53 HA ASN 53 14.045 -6.718 -11.355 354 HB2 ASN 53 2HB ASN 53 15.130 -4.188 -10.270 355 HB3 ASN 53 1HB ASN 53 14.022 -5.047 -9.199 356 HD21 ASN 53 1HD2 ASN 53 14.818 -6.905 -8.143 357 HD22 ASN 53 2HD2 ASN 53 16.340 -7.593 -8.448 358 H ASP 54 H ASP 54 11.973 -7.267 -10.837 359 HA ASP 54 HA ASP 54 9.768 -5.566 -11.510 360 HB2 ASP 54 2HB ASP 54 8.374 -7.291 -10.439 361 HB3 ASP 54 1HB ASP 54 9.606 -8.040 -11.455 362 H ASP 55 H ASP 55 8.000 -5.106 -9.752 363 HA ASP 55 HA ASP 55 9.329 -3.538 -7.630 364 HB2 ASP 55 2HB ASP 55 6.355 -3.749 -8.149 365 HB3 ASP 55 1HB ASP 55 7.226 -2.445 -7.340 366 H ARG 56 H ARG 56 9.485 -4.271 -5.555 367 HA ARG 56 HA ARG 56 7.718 -6.549 -4.774 368 HB2 ARG 56 2HB ARG 56 10.589 -6.023 -3.969 369 HB3 ARG 56 1HB ARG 56 9.584 -7.328 -3.339 370 HG2 ARG 56 2HG ARG 56 9.331 -7.513 -6.125 371 HG3 ARG 56 1HG ARG 56 11.042 -7.194 -5.846 372 HD2 ARG 56 2HD ARG 56 10.672 -9.027 -3.929 373 HD3 ARG 56 1HD ARG 56 9.393 -9.541 -5.028 374 HE ARG 56 HE ARG 56 12.104 -9.148 -6.167 375 HH11 ARG 56 1HH1 ARG 56 11.618 -11.583 -4.292 376 HH12 ARG 56 2HH1 ARG 56 11.299 -12.811 -5.471 377 HH21 ARG 56 1HH2 ARG 56 10.788 -10.565 -8.062 378 HH22 ARG 56 2HH2 ARG 56 10.829 -12.235 -7.604 379 H CYS 57 H CYS 57 6.501 -6.201 -2.918 380 HA CYS 57 HA CYS 57 6.330 -3.670 -1.682 381 HB2 CYS 57 2HB CYS 57 4.713 -5.659 -1.401 382 HB3 CYS 57 1HB CYS 57 5.815 -6.219 -0.152 383 H THR 58 H THR 58 7.166 -2.885 0.317 384 HA THR 58 HA THR 58 9.826 -3.987 0.992 385 HB THR 58 HB THR 58 10.304 -1.889 1.958 386 HG1 THR 58 1HG THR 58 7.535 -1.831 2.302 387 HG21 THR 58 3HG2 THR 58 8.522 -0.516 0.170 388 HG22 THR 58 1HG2 THR 58 9.089 -1.997 -0.604 389 HG23 THR 58 2HG2 THR 58 10.252 -0.810 -0.011 390 H GLY 59 H GLY 59 6.807 -4.692 1.932 391 HA2 GLY 59 2HA GLY 59 6.162 -6.016 3.795 392 HA3 GLY 59 1HA GLY 59 7.713 -5.658 4.552 393 H GLN 60 H GLN 60 7.666 -2.859 4.519 394 HA GLN 60 HA GLN 60 5.465 -2.347 6.460 395 HB2 GLN 60 2HB GLN 60 7.861 -0.566 6.050 396 HB3 GLN 60 1HB GLN 60 6.865 -0.764 7.494 397 HG2 GLN 60 2HG GLN 60 7.701 -3.133 7.657 398 HG3 GLN 60 1HG GLN 60 8.821 -2.771 6.342 399 HE21 GLN 60 1HE2 GLN 60 9.874 -0.332 6.915 400 HE22 GLN 60 2HE2 GLN 60 10.593 -0.303 8.452 401 H SER 61 H SER 61 5.741 -2.043 3.300 402 HA SER 61 HA SER 61 4.667 0.753 3.225 403 HB2 SER 61 2HB SER 61 6.441 0.829 1.733 404 HB3 SER 61 1HB SER 61 6.280 -0.868 1.295 405 HG SER 61 HG SER 61 5.343 0.007 -0.396 406 H ALA 62 H ALA 62 2.776 1.115 1.885 407 HA ALA 62 HA ALA 62 1.178 -1.377 1.445 408 HB1 ALA 62 1HB ALA 62 0.551 1.148 2.778 409 HB2 ALA 62 2HB ALA 62 -0.306 -0.392 2.840 410 HB3 ALA 62 3HB ALA 62 -0.624 0.742 1.528 411 H ASP 63 H ASP 63 2.151 1.748 0.142 412 HA ASP 63 HA ASP 63 0.650 1.184 -2.362 413 HB2 ASP 63 2HB ASP 63 1.908 3.617 -1.148 414 HB3 ASP 63 1HB ASP 63 1.750 3.541 -2.904 415 H CYS 64 H CYS 64 1.743 0.004 -3.850 416 HA CYS 64 HA CYS 64 4.600 -0.371 -3.740 417 HB2 CYS 64 2HB CYS 64 3.144 -2.093 -4.664 418 HB3 CYS 64 1HB CYS 64 2.619 -1.003 -5.945 419 HA PRO 65 HA PRO 65 5.547 3.357 -5.913 420 HB2 PRO 65 2HB PRO 65 8.238 3.111 -5.488 421 HB3 PRO 65 1HB PRO 65 7.123 3.751 -4.279 422 HG2 PRO 65 2HG PRO 65 8.527 1.136 -4.364 423 HG3 PRO 65 1HG PRO 65 7.847 1.998 -2.973 424 HD2 PRO 65 2HD PRO 65 6.684 -0.212 -4.342 425 HD3 PRO 65 1HD PRO 65 5.919 0.783 -3.085 426 H ARG 66 H ARG 66 7.862 3.630 -7.383 427 HA ARG 66 HA ARG 66 7.858 1.328 -9.288 428 HB2 ARG 66 2HB ARG 66 8.091 4.147 -10.298 429 HB3 ARG 66 1HB ARG 66 7.531 2.704 -11.144 430 HG2 ARG 66 2HG ARG 66 5.444 3.478 -10.728 431 HG3 ARG 66 1HG ARG 66 5.715 2.926 -9.075 432 HD2 ARG 66 2HD ARG 66 5.740 5.042 -8.306 433 HD3 ARG 66 1HD ARG 66 6.958 5.507 -9.494 434 HE ARG 66 HE ARG 66 4.548 5.362 -10.914 435 HH11 ARG 66 1HH1 ARG 66 6.272 7.303 -8.696 436 HH12 ARG 66 2HH1 ARG 66 5.126 8.600 -8.713 437 HH21 ARG 66 1HH2 ARG 66 2.861 6.926 -10.733 438 HH22 ARG 66 2HH2 ARG 66 3.193 8.387 -9.865 439 H TYR 67 H TYR 67 9.807 1.753 -10.923 440 HA TYR 67 HA TYR 67 12.093 2.991 -9.475 441 HB2 TYR 67 2HB TYR 67 12.128 0.188 -10.638 442 HB3 TYR 67 1HB TYR 67 13.493 1.015 -9.888 443 HD1 TYR 67 2HD TYR 67 12.421 2.294 -7.546 444 HD2 TYR 67 1HD TYR 67 11.404 -1.526 -9.227 445 HE1 TYR 67 2HE TYR 67 11.673 1.511 -5.316 446 HE2 TYR 67 1HE TYR 67 10.656 -2.308 -6.997 447 HH TYR 67 HH TYR 67 11.270 -1.612 -4.506 448 H HIS 68 H HIS 68 10.928 1.464 -12.473 449 HA HIS 68 HA HIS 68 12.583 3.441 -13.978 450 HB2 HIS 68 2HB HIS 68 12.149 0.606 -14.929 451 HB3 HIS 68 1HB HIS 68 13.317 1.788 -15.520 452 HD1 HIS 68 1HD HIS 68 13.016 -1.006 -13.229 453 HD2 HIS 68 2HD HIS 68 15.330 2.458 -13.381 454 HE1 HIS 68 1HE HIS 68 14.956 -1.371 -11.644 Start of MODEL 2 1 H GLY 1 1HT GLY 1 2.038 13.538 10.079 2 HA2 GLY 1 1HA GLY 1 2.853 16.003 9.749 3 HA3 GLY 1 2HA GLY 1 3.449 15.315 8.238 4 H LYS 2 H LYS 2 1.787 13.981 7.002 5 HA LYS 2 HA LYS 2 -0.573 15.546 6.560 6 HB2 LYS 2 2HB LYS 2 -0.195 12.656 5.741 7 HB3 LYS 2 1HB LYS 2 -1.176 13.886 4.943 8 HG2 LYS 2 2HG LYS 2 0.948 15.190 4.532 9 HG3 LYS 2 1HG LYS 2 1.845 13.793 5.127 10 HD2 LYS 2 2HD LYS 2 -0.203 13.221 3.059 11 HD3 LYS 2 1HD LYS 2 1.203 14.137 2.515 12 HE2 LYS 2 2HE LYS 2 2.533 12.318 2.626 13 HE3 LYS 2 1HE LYS 2 1.974 11.932 4.253 14 HZ1 LYS 2 3HZ LYS 2 1.383 10.171 2.746 15 HZ2 LYS 2 1HZ LYS 2 0.594 11.260 1.712 16 HZ3 LYS 2 2HZ LYS 2 -0.030 10.959 3.263 17 H GLU 3 H GLU 3 -2.764 15.046 7.061 18 HA GLU 3 HA GLU 3 -3.078 13.157 9.362 19 HB2 GLU 3 2HB GLU 3 -5.161 14.572 9.821 20 HB3 GLU 3 1HB GLU 3 -3.611 15.366 10.100 21 HG2 GLU 3 2HG GLU 3 -3.736 16.449 7.908 22 HG3 GLU 3 1HG GLU 3 -5.243 15.603 7.554 23 H CYS 4 H CYS 4 -3.130 12.093 6.791 24 HA CYS 4 HA CYS 4 -5.851 11.023 6.742 25 HB2 CYS 4 2HB CYS 4 -6.079 13.053 5.340 26 HB3 CYS 4 1HB CYS 4 -4.762 12.480 4.315 27 H ASP 5 H ASP 5 -5.731 8.893 6.160 28 HA ASP 5 HA ASP 5 -3.169 7.972 4.931 29 HB2 ASP 5 2HB ASP 5 -3.637 7.080 7.193 30 HB3 ASP 5 1HB ASP 5 -5.168 6.426 6.610 31 H CYS 6 H CYS 6 -6.161 8.744 3.961 32 HA CYS 6 HA CYS 6 -6.043 6.857 1.704 33 HB2 CYS 6 2HB CYS 6 -8.272 5.997 1.974 34 HB3 CYS 6 1HB CYS 6 -7.445 5.756 3.512 35 H SER 7 H SER 7 -6.591 7.940 -0.132 36 HA SER 7 HA SER 7 -7.566 10.699 0.104 37 HB2 SER 7 2HB SER 7 -7.311 10.675 -2.403 38 HB3 SER 7 1HB SER 7 -5.833 10.274 -1.532 39 HG SER 7 HG SER 7 -6.268 8.808 -3.241 40 H SER 8 H SER 8 -9.011 7.664 -0.094 41 HA SER 8 HA SER 8 -11.412 8.782 -1.467 42 HB2 SER 8 2HB SER 8 -10.279 6.032 -1.187 43 HB3 SER 8 1HB SER 8 -12.029 6.193 -1.302 44 HG SER 8 HG SER 8 -11.774 6.566 -3.345 45 HA PRO 9 HA PRO 9 -13.174 8.817 2.622 46 HB2 PRO 9 2HB PRO 9 -15.637 9.760 1.844 47 HB3 PRO 9 1HB PRO 9 -14.208 10.793 2.035 48 HG2 PRO 9 2HG PRO 9 -15.511 9.833 -0.471 49 HG3 PRO 9 1HG PRO 9 -14.540 11.289 -0.198 50 HD2 PRO 9 2HD PRO 9 -13.641 8.906 -1.433 51 HD3 PRO 9 1HD PRO 9 -12.613 10.235 -0.855 52 H GLU 10 H GLU 10 -14.616 7.271 -0.198 53 HA GLU 10 HA GLU 10 -16.646 5.789 1.208 54 HB2 GLU 10 2HB GLU 10 -15.664 6.008 -1.485 55 HB3 GLU 10 1HB GLU 10 -15.765 4.300 -1.052 56 HG2 GLU 10 2HG GLU 10 -18.020 4.336 -1.107 57 HG3 GLU 10 1HG GLU 10 -18.083 5.781 -0.096 58 H ASN 11 H ASN 11 -13.272 5.581 1.244 59 HA ASN 11 HA ASN 11 -12.942 2.728 1.496 60 HB2 ASN 11 2HB ASN 11 -11.089 4.304 0.957 61 HB3 ASN 11 1HB ASN 11 -11.198 4.949 2.596 62 HD21 ASN 11 1HD2 ASN 11 -8.781 4.004 2.311 63 HD22 ASN 11 2HD2 ASN 11 -8.577 2.424 2.892 64 HA PRO 12 HA PRO 12 -14.729 2.734 5.624 65 HB2 PRO 12 2HB PRO 12 -14.991 0.001 5.744 66 HB3 PRO 12 1HB PRO 12 -16.148 1.061 4.921 67 HG2 PRO 12 2HG PRO 12 -14.092 -0.748 3.743 68 HG3 PRO 12 1HG PRO 12 -15.617 -0.178 3.044 69 HD2 PRO 12 2HD PRO 12 -13.034 0.821 2.444 70 HD3 PRO 12 1HD PRO 12 -14.579 1.578 2.001 71 H CYS 13 H CYS 13 -11.679 2.078 4.671 72 HA CYS 13 HA CYS 13 -10.922 0.711 7.211 73 HB2 CYS 13 2HB CYS 13 -10.017 0.478 4.478 74 HB3 CYS 13 1HB CYS 13 -8.666 0.920 5.524 75 H CYS 14 H CYS 14 -11.351 3.756 6.254 76 HA CYS 14 HA CYS 14 -9.145 4.716 7.983 77 HB2 CYS 14 2HB CYS 14 -8.500 6.467 6.408 78 HB3 CYS 14 1HB CYS 14 -8.327 4.890 5.638 79 H ASP 15 H ASP 15 -10.151 5.833 9.542 80 HA ASP 15 HA ASP 15 -12.808 6.723 9.548 81 HB2 ASP 15 2HB ASP 15 -10.887 6.682 11.415 82 HB3 ASP 15 1HB ASP 15 -10.793 8.389 10.987 83 H ALA 16 H ALA 16 -13.791 8.245 8.321 84 HA ALA 16 HA ALA 16 -12.315 10.063 6.630 85 HB1 ALA 16 1HB ALA 16 -14.343 10.493 5.684 86 HB2 ALA 16 2HB ALA 16 -15.121 10.752 7.245 87 HB3 ALA 16 3HB ALA 16 -14.883 9.112 6.640 88 H ALA 17 H ALA 17 -13.841 10.319 9.802 89 HA ALA 17 HA ALA 17 -13.950 13.092 10.159 90 HB1 ALA 17 1HB ALA 17 -14.670 11.447 11.875 91 HB2 ALA 17 2HB ALA 17 -13.587 12.661 12.558 92 HB3 ALA 17 3HB ALA 17 -12.980 11.047 12.184 93 H THR 18 H THR 18 -11.139 10.945 10.663 94 HA THR 18 HA THR 18 -9.414 13.377 10.709 95 HB THR 18 HB THR 18 -8.888 12.123 12.621 96 HG1 THR 18 1HG THR 18 -6.985 10.731 11.683 97 HG21 THR 18 3HG2 THR 18 -9.448 9.759 10.849 98 HG22 THR 18 1HG2 THR 18 -10.155 10.166 12.413 99 HG23 THR 18 2HG2 THR 18 -8.502 9.558 12.324 100 H CYS 19 H CYS 19 -10.434 10.851 8.700 101 HA CYS 19 HA CYS 19 -9.786 10.347 6.490 102 HB2 CYS 19 2HB CYS 19 -8.966 12.885 6.713 103 HB3 CYS 19 1HB CYS 19 -7.380 12.115 6.661 104 H LYS 20 H LYS 20 -8.380 9.433 9.192 105 HA LYS 20 HA LYS 20 -6.084 8.094 7.810 106 HB2 LYS 20 2HB LYS 20 -6.412 8.820 10.736 107 HB3 LYS 20 1HB LYS 20 -5.064 7.891 10.076 108 HG2 LYS 20 2HG LYS 20 -5.619 10.428 8.663 109 HG3 LYS 20 1HG LYS 20 -5.059 10.616 10.326 110 HD2 LYS 20 2HD LYS 20 -3.461 8.583 9.184 111 HD3 LYS 20 1HD LYS 20 -3.541 9.877 7.988 112 HE2 LYS 20 2HE LYS 20 -2.034 11.027 9.199 113 HE3 LYS 20 1HE LYS 20 -3.222 11.141 10.498 114 HZ1 LYS 20 3HZ LYS 20 -0.897 9.962 10.822 115 HZ2 LYS 20 1HZ LYS 20 -1.763 8.628 10.231 116 HZ3 LYS 20 2HZ LYS 20 -2.294 9.434 11.630 117 H LEU 21 H LEU 21 -5.523 5.930 8.896 118 HA LEU 21 HA LEU 21 -7.533 4.051 8.549 119 HB2 LEU 21 2HB LEU 21 -5.053 4.055 10.244 120 HB3 LEU 21 1HB LEU 21 -6.149 2.673 10.291 121 HG LEU 21 HG LEU 21 -5.699 3.509 7.556 122 HD11 LEU 21 1HD1 LEU 21 -3.502 4.176 8.880 123 HD12 LEU 21 2HD1 LEU 21 -3.394 3.358 7.321 124 HD13 LEU 21 3HD1 LEU 21 -3.197 2.440 8.813 125 HD21 LEU 21 3HD2 LEU 21 -5.870 1.119 9.198 126 HD22 LEU 21 1HD2 LEU 21 -4.555 0.987 8.031 127 HD23 LEU 21 2HD2 LEU 21 -6.197 1.310 7.476 128 H ARG 22 H ARG 22 -9.369 3.547 9.641 129 HA ARG 22 HA ARG 22 -9.868 4.890 12.215 130 HB2 ARG 22 2HB ARG 22 -11.811 5.107 11.036 131 HB3 ARG 22 1HB ARG 22 -11.536 3.649 10.095 132 HG2 ARG 22 2HG ARG 22 -12.335 2.246 11.862 133 HG3 ARG 22 1HG ARG 22 -12.276 3.568 13.029 134 HD2 ARG 22 2HD ARG 22 -13.919 4.614 11.097 135 HD3 ARG 22 1HD ARG 22 -14.354 2.906 11.046 136 HE ARG 22 HE ARG 22 -14.991 3.060 13.406 137 HH11 ARG 22 1HH1 ARG 22 -16.205 5.459 11.777 138 HH12 ARG 22 2HH1 ARG 22 -16.055 6.711 12.964 139 HH21 ARG 22 1HH2 ARG 22 -13.889 4.907 14.980 140 HH22 ARG 22 2HH2 ARG 22 -14.745 6.399 14.776 141 HA PRO 23 HA PRO 23 -10.384 0.392 13.676 142 HB2 PRO 23 2HB PRO 23 -9.969 -1.639 11.871 143 HB3 PRO 23 1HB PRO 23 -11.549 -0.884 12.151 144 HG2 PRO 23 2HG PRO 23 -9.681 -0.534 9.850 145 HG3 PRO 23 1HG PRO 23 -11.443 -0.367 9.900 146 HD2 PRO 23 2HD PRO 23 -9.591 1.761 9.907 147 HD3 PRO 23 1HD PRO 23 -11.312 1.877 10.326 148 H GLY 24 H GLY 24 -8.800 -1.772 13.695 149 HA2 GLY 24 2HA GLY 24 -6.125 -0.660 14.072 150 HA3 GLY 24 1HA GLY 24 -6.607 -2.328 14.387 151 H ALA 25 H ALA 25 -6.595 -0.266 11.457 152 HA ALA 25 HA ALA 25 -5.343 -2.546 10.000 153 HB1 ALA 25 1HB ALA 25 -7.178 -0.329 9.253 154 HB2 ALA 25 2HB ALA 25 -7.110 -1.984 8.648 155 HB3 ALA 25 3HB ALA 25 -5.973 -0.778 8.047 156 H GLN 26 H GLN 26 -3.329 -2.289 9.019 157 HA GLN 26 HA GLN 26 -1.705 -0.053 9.950 158 HB2 GLN 26 2HB GLN 26 -1.274 -2.651 8.675 159 HB3 GLN 26 1HB GLN 26 -0.223 -1.394 8.023 160 HG2 GLN 26 2HG GLN 26 1.062 -1.990 9.836 161 HG3 GLN 26 1HG GLN 26 0.018 -0.814 10.635 162 HE21 GLN 26 1HE2 GLN 26 0.527 -2.202 12.626 163 HE22 GLN 26 2HE2 GLN 26 -0.429 -3.578 12.898 164 H CYS 27 H CYS 27 -3.484 -0.851 7.066 165 HA CYS 27 HA CYS 27 -2.954 1.822 6.003 166 HB2 CYS 27 2HB CYS 27 -1.336 1.260 4.539 167 HB3 CYS 27 1HB CYS 27 -1.365 -0.392 5.132 168 H GLY 28 H GLY 28 -4.687 2.513 4.762 169 HA2 GLY 28 2HA GLY 28 -6.982 0.664 4.607 170 HA3 GLY 28 1HA GLY 28 -7.039 2.399 4.319 171 H GLU 29 H GLU 29 -4.579 2.066 2.563 172 HA GLU 29 HA GLU 29 -5.715 0.536 0.307 173 HB2 GLU 29 2HB GLU 29 -5.679 2.435 -1.184 174 HB3 GLU 29 1HB GLU 29 -6.672 2.842 0.206 175 HG2 GLU 29 2HG GLU 29 -5.323 4.741 0.008 176 HG3 GLU 29 1HG GLU 29 -4.446 3.782 1.201 177 H GLY 30 H GLY 30 -4.129 0.078 -1.333 178 HA2 GLY 30 2HA GLY 30 -1.602 1.029 -1.751 179 HA3 GLY 30 1HA GLY 30 -1.382 0.046 -0.304 180 H LEU 31 H LEU 31 -0.018 -0.769 -2.554 181 HA LEU 31 HA LEU 31 -1.662 -2.773 -3.961 182 HB2 LEU 31 2HB LEU 31 1.127 -1.714 -4.219 183 HB3 LEU 31 1HB LEU 31 0.767 -3.309 -4.881 184 HG LEU 31 HG LEU 31 -1.151 -1.115 -5.482 185 HD11 LEU 31 1HD1 LEU 31 1.176 -1.378 -7.312 186 HD12 LEU 31 2HD1 LEU 31 1.447 -0.489 -5.814 187 HD13 LEU 31 3HD1 LEU 31 0.195 0.039 -6.938 188 HD21 LEU 31 3HD2 LEU 31 -0.854 -2.406 -7.766 189 HD22 LEU 31 1HD2 LEU 31 -1.783 -3.137 -6.457 190 HD23 LEU 31 2HD2 LEU 31 -0.114 -3.635 -6.740 191 H CYS 32 H CYS 32 0.747 -2.585 -1.417 192 HA CYS 32 HA CYS 32 0.690 -5.551 -1.181 193 HB2 CYS 32 2HB CYS 32 2.758 -3.582 -0.832 194 HB3 CYS 32 1HB CYS 32 2.512 -4.450 0.683 195 H CYS 33 H CYS 33 -1.628 -4.267 -0.406 196 HA CYS 33 HA CYS 33 -1.441 -4.428 2.577 197 HB2 CYS 33 2HB CYS 33 -2.845 -2.481 0.802 198 HB3 CYS 33 1HB CYS 33 -3.610 -2.911 2.331 199 H GLU 34 H GLU 34 -2.277 -6.406 3.059 200 HA GLU 34 HA GLU 34 -4.698 -7.333 1.592 201 HB2 GLU 34 2HB GLU 34 -2.621 -8.723 3.286 202 HB3 GLU 34 1HB GLU 34 -4.168 -9.491 2.929 203 HG2 GLU 34 2HG GLU 34 -3.499 -8.677 0.445 204 HG3 GLU 34 1HG GLU 34 -1.885 -8.903 1.120 205 H GLN 35 H GLN 35 -6.596 -6.837 2.584 206 HA GLN 35 HA GLN 35 -8.169 -6.525 4.301 207 HB2 GLN 35 2HB GLN 35 -6.122 -7.822 6.119 208 HB3 GLN 35 1HB GLN 35 -7.866 -7.727 6.365 209 HG2 GLN 35 2HG GLN 35 -7.064 -8.965 3.811 210 HG3 GLN 35 1HG GLN 35 -6.586 -9.874 5.245 211 HE21 GLN 35 1HE2 GLN 35 -9.475 -7.800 5.125 212 HE22 GLN 35 2HE2 GLN 35 -10.597 -9.067 5.252 213 H CYS 36 H CYS 36 -6.113 -4.556 3.653 214 HA CYS 36 HA CYS 36 -5.419 -2.469 4.450 215 HB2 CYS 36 2HB CYS 36 -7.191 -3.192 6.806 216 HB3 CYS 36 1HB CYS 36 -6.513 -1.594 6.486 217 H LYS 37 H LYS 37 -3.944 -4.958 5.046 218 HA LYS 37 HA LYS 37 -2.511 -4.028 7.505 219 HB2 LYS 37 2HB LYS 37 -2.916 -6.854 6.475 220 HB3 LYS 37 1HB LYS 37 -1.833 -6.429 7.801 221 HG2 LYS 37 2HG LYS 37 -3.960 -5.237 8.783 222 HG3 LYS 37 1HG LYS 37 -4.833 -6.325 7.703 223 HD2 LYS 37 2HD LYS 37 -4.550 -8.018 9.156 224 HD3 LYS 37 1HD LYS 37 -2.799 -7.828 9.050 225 HE2 LYS 37 2HE LYS 37 -3.189 -5.805 10.672 226 HE3 LYS 37 1HE LYS 37 -4.714 -6.616 11.025 227 HZ1 LYS 37 3HZ LYS 37 -3.537 -8.584 11.652 228 HZ2 LYS 37 1HZ LYS 37 -2.883 -7.278 12.514 229 HZ3 LYS 37 2HZ LYS 37 -2.049 -7.915 11.177 230 H PHE 38 H PHE 38 -0.146 -4.456 7.439 231 HA PHE 38 HA PHE 38 0.908 -3.927 4.749 232 HB2 PHE 38 2HB PHE 38 2.227 -4.157 7.466 233 HB3 PHE 38 1HB PHE 38 3.115 -3.823 5.981 234 HD1 PHE 38 2HD PHE 38 1.006 -2.101 4.606 235 HD2 PHE 38 1HD PHE 38 2.555 -2.086 8.614 236 HE1 PHE 38 2HE PHE 38 0.450 0.304 4.812 237 HE2 PHE 38 1HE PHE 38 2.002 0.323 8.817 238 HZ PHE 38 HZ PHE 38 0.948 1.517 6.917 239 H SER 39 H SER 39 1.462 -5.563 3.402 240 HA SER 39 HA SER 39 1.544 -8.310 4.207 241 HB2 SER 39 2HB SER 39 2.810 -7.025 1.768 242 HB3 SER 39 1HB SER 39 2.449 -8.737 1.968 243 HG SER 39 HG SER 39 0.515 -8.290 1.312 244 H ARG 40 H ARG 40 3.966 -9.218 2.977 245 HA ARG 40 HA ARG 40 5.871 -8.428 5.120 246 HB2 ARG 40 2HB ARG 40 5.315 -10.893 3.616 247 HB3 ARG 40 1HB ARG 40 7.036 -10.523 3.728 248 HG2 ARG 40 2HG ARG 40 7.000 -10.530 6.096 249 HG3 ARG 40 1HG ARG 40 5.241 -10.412 6.152 250 HD2 ARG 40 2HD ARG 40 4.952 -12.657 5.462 251 HD3 ARG 40 1HD ARG 40 6.613 -12.781 4.883 252 HE ARG 40 HE ARG 40 7.191 -12.487 7.422 253 HH11 ARG 40 1HH2 ARG 40 4.393 -12.578 8.392 254 HH12 ARG 40 2HH2 ARG 40 4.162 -14.260 8.733 255 HH21 ARG 40 1HH1 ARG 40 6.902 -15.287 6.873 256 HH22 ARG 40 2HH1 ARG 40 5.582 -15.794 7.874 257 H ALA 41 H ALA 41 8.223 -8.272 4.406 258 HA ALA 41 HA ALA 41 8.417 -6.411 2.176 259 HB1 ALA 41 1HB ALA 41 9.932 -6.954 4.453 260 HB2 ALA 41 2HB ALA 41 10.368 -5.834 3.163 261 HB3 ALA 41 3HB ALA 41 10.959 -7.495 3.125 262 H GLY 42 H GLY 42 10.056 -6.764 0.403 263 HA2 GLY 42 2HA GLY 42 10.932 -8.056 -1.360 264 HA3 GLY 42 1HA GLY 42 10.835 -9.461 -0.297 265 H LYS 43 H LYS 43 8.015 -7.481 -0.849 266 HA LYS 43 HA LYS 43 6.780 -9.794 -2.271 267 HB2 LYS 43 2HB LYS 43 5.512 -9.128 -0.345 268 HB3 LYS 43 1HB LYS 43 5.586 -7.427 -0.810 269 HG2 LYS 43 2HG LYS 43 3.392 -8.368 -1.392 270 HG3 LYS 43 1HG LYS 43 4.279 -7.941 -2.852 271 HD2 LYS 43 2HD LYS 43 4.933 -10.259 -3.188 272 HD3 LYS 43 1HD LYS 43 4.204 -10.722 -1.649 273 HE2 LYS 43 2HE LYS 43 2.580 -9.399 -3.822 274 HE3 LYS 43 1HE LYS 43 2.814 -11.147 -3.782 275 HZ1 LYS 43 3HZ LYS 43 1.926 -11.156 -1.519 276 HZ2 LYS 43 1HZ LYS 43 0.799 -10.543 -2.627 277 HZ3 LYS 43 2HZ LYS 43 1.654 -9.482 -1.612 278 H ILE 44 H ILE 44 6.220 -9.625 -4.396 279 HA ILE 44 HA ILE 44 7.034 -7.281 -5.893 280 HB ILE 44 HB ILE 44 7.218 -9.434 -6.955 281 HG12 ILE 44 2HG1 ILE 44 5.722 -9.092 -8.967 282 HG13 ILE 44 1HG1 ILE 44 4.951 -7.770 -8.088 283 HG21 ILE 44 1HG2 ILE 44 4.759 -9.911 -5.613 284 HG22 ILE 44 2HG2 ILE 44 5.724 -11.060 -6.540 285 HG23 ILE 44 3HG2 ILE 44 4.459 -10.125 -7.338 286 HD11 ILE 44 3HD1 ILE 44 6.697 -6.373 -8.440 287 HD12 ILE 44 1HD1 ILE 44 7.196 -7.523 -9.680 288 HD13 ILE 44 2HD1 ILE 44 7.880 -7.623 -8.058 289 H CYS 45 H CYS 45 5.769 -5.493 -5.264 290 HA CYS 45 HA CYS 45 2.881 -5.605 -5.024 291 HB2 CYS 45 2HB CYS 45 4.953 -3.682 -4.581 292 HB3 CYS 45 1HB CYS 45 3.744 -2.949 -5.630 293 H ARG 46 H ARG 46 5.000 -5.541 -7.678 294 HA ARG 46 HA ARG 46 2.754 -5.323 -9.540 295 HB2 ARG 46 2HB ARG 46 3.929 -2.934 -8.850 296 HB3 ARG 46 1HB ARG 46 4.852 -3.391 -10.282 297 HG2 ARG 46 2HG ARG 46 1.863 -3.638 -10.339 298 HG3 ARG 46 1HG ARG 46 2.597 -2.047 -10.543 299 HD2 ARG 46 2HD ARG 46 4.078 -3.107 -12.331 300 HD3 ARG 46 1HD ARG 46 3.011 -4.509 -12.248 301 HE ARG 46 HE ARG 46 2.211 -1.800 -13.190 302 HH11 ARG 46 1HH1 ARG 46 2.137 -4.037 -15.102 303 HH12 ARG 46 2HH1 ARG 46 0.491 -4.569 -15.021 304 HH21 ARG 46 1HH2 ARG 46 -0.159 -2.959 -12.019 305 HH22 ARG 46 2HH2 ARG 46 -0.810 -3.958 -13.274 306 H ILE 47 H ILE 47 3.212 -6.958 -10.930 307 HA ILE 47 HA ILE 47 5.859 -8.060 -11.226 308 HB ILE 47 HB ILE 47 4.004 -9.530 -11.590 309 HG12 ILE 47 2HG1 ILE 47 4.467 -10.405 -13.810 310 HG13 ILE 47 1HG1 ILE 47 5.110 -8.847 -14.332 311 HG21 ILE 47 1HG2 ILE 47 3.051 -7.276 -13.306 312 HG22 ILE 47 2HG2 ILE 47 2.149 -8.283 -12.173 313 HG23 ILE 47 3HG2 ILE 47 2.578 -8.912 -13.764 314 HD11 ILE 47 3HD1 ILE 47 7.063 -9.083 -13.093 315 HD12 ILE 47 1HD1 ILE 47 6.752 -10.760 -13.540 316 HD13 ILE 47 2HD1 ILE 47 6.316 -10.181 -11.932 317 H ALA 48 H ALA 48 7.480 -7.223 -12.431 318 HA ALA 48 HA ALA 48 7.120 -4.954 -14.162 319 HB1 ALA 48 1HB ALA 48 9.309 -4.947 -13.537 320 HB2 ALA 48 2HB ALA 48 9.533 -6.013 -14.925 321 HB3 ALA 48 3HB ALA 48 9.344 -6.696 -13.309 322 H ARG 49 H ARG 49 6.975 -4.866 -16.416 323 HA ARG 49 HA ARG 49 5.911 -7.199 -17.744 324 HB2 ARG 49 2HB ARG 49 6.766 -4.480 -18.757 325 HB3 ARG 49 1HB ARG 49 6.116 -5.729 -19.817 326 HG2 ARG 49 2HG ARG 49 4.129 -4.723 -19.273 327 HG3 ARG 49 1HG ARG 49 4.246 -5.798 -17.881 328 HD2 ARG 49 2HD ARG 49 3.746 -3.526 -17.125 329 HD3 ARG 49 1HD ARG 49 5.365 -3.982 -16.602 330 HE ARG 49 HE ARG 49 5.608 -2.677 -19.111 331 HH11 ARG 49 1HH2 ARG 49 5.662 -2.235 -15.762 332 HH12 ARG 49 2HH2 ARG 49 5.666 -0.504 -15.822 333 HH21 ARG 49 1HH1 ARG 49 5.173 -0.358 -19.252 334 HH22 ARG 49 2HH1 ARG 49 5.389 0.559 -17.799 335 H GLY 50 H GLY 50 9.098 -5.979 -17.253 336 HA2 GLY 50 2HA GLY 50 10.697 -7.984 -17.800 337 HA3 GLY 50 1HA GLY 50 10.146 -7.700 -19.446 338 H ASP 51 H ASP 51 12.841 -7.426 -18.157 339 HA ASP 51 HA ASP 51 14.685 -6.080 -18.657 340 HB2 ASP 51 2HB ASP 51 12.649 -5.018 -20.354 341 HB3 ASP 51 1HB ASP 51 13.540 -3.673 -19.647 342 H TRP 52 H TRP 52 12.017 -4.991 -16.735 343 HA TRP 52 HA TRP 52 13.812 -2.951 -15.486 344 HB2 TRP 52 2HB TRP 52 11.219 -2.882 -14.282 345 HB3 TRP 52 1HB TRP 52 12.008 -1.637 -15.242 346 HD1 TRP 52 HD TRP 52 9.003 -3.622 -15.209 347 HE1 TRP 52 1HE TRP 52 7.922 -3.750 -17.542 348 HE3 TRP 52 3HE TRP 52 12.879 -1.944 -18.069 349 HZ2 TRP 52 2HZ TRP 52 8.607 -3.224 -20.264 350 HZ3 TRP 52 3HZ TRP 52 12.641 -1.774 -20.533 351 HH2 TRP 52 HH TRP 52 10.510 -2.412 -21.630 352 H ASN 53 H ASN 53 12.695 -2.861 -12.945 353 HA ASN 53 HA ASN 53 13.651 -5.453 -11.854 354 HB2 ASN 53 2HB ASN 53 13.460 -2.653 -10.844 355 HB3 ASN 53 1HB ASN 53 13.300 -3.947 -9.657 356 HD21 ASN 53 1HD2 ASN 53 15.419 -3.220 -12.502 357 HD22 ASN 53 2HD2 ASN 53 16.852 -3.712 -11.736 358 H ASP 54 H ASP 54 12.348 -5.528 -9.425 359 HA ASP 54 HA ASP 54 9.470 -5.747 -10.213 360 HB2 ASP 54 2HB ASP 54 10.584 -7.505 -8.069 361 HB3 ASP 54 1HB ASP 54 9.306 -7.834 -9.238 362 H ASP 55 H ASP 55 8.016 -4.812 -8.805 363 HA ASP 55 HA ASP 55 8.995 -3.018 -6.778 364 HB2 ASP 55 2HB ASP 55 6.847 -2.753 -8.097 365 HB3 ASP 55 1HB ASP 55 6.155 -4.021 -7.084 366 H ARG 56 H ARG 56 10.186 -4.317 -5.290 367 HA ARG 56 HA ARG 56 8.797 -6.494 -3.869 368 HB2 ARG 56 2HB ARG 56 11.528 -5.259 -3.383 369 HB3 ARG 56 1HB ARG 56 10.927 -6.760 -2.680 370 HG2 ARG 56 2HG ARG 56 10.705 -6.670 -5.608 371 HG3 ARG 56 1HG ARG 56 12.368 -6.583 -5.024 372 HD2 ARG 56 2HD ARG 56 12.005 -8.601 -3.659 373 HD3 ARG 56 1HD ARG 56 10.336 -8.688 -4.221 374 HE ARG 56 HE ARG 56 11.212 -9.174 -6.483 375 HH11 ARG 56 1HH2 ARG 56 12.251 -11.387 -4.783 376 HH12 ARG 56 2HH2 ARG 56 13.938 -11.400 -5.176 377 HH21 ARG 56 1HH1 ARG 56 13.904 -8.234 -6.591 378 HH22 ARG 56 2HH1 ARG 56 14.874 -9.615 -6.201 379 H CYS 57 H CYS 57 7.287 -5.807 -2.415 380 HA CYS 57 HA CYS 57 7.226 -3.272 -1.136 381 HB2 CYS 57 2HB CYS 57 6.131 -5.792 0.122 382 HB3 CYS 57 1HB CYS 57 5.496 -4.152 0.235 383 H THR 58 H THR 58 7.826 -2.660 1.004 384 HA THR 58 HA THR 58 10.236 -4.024 1.980 385 HB THR 58 HB THR 58 10.268 -2.103 3.621 386 HG1 THR 58 1HG THR 58 8.125 -1.592 3.715 387 HG21 THR 58 3HG2 THR 58 10.052 -0.553 1.223 388 HG22 THR 58 1HG2 THR 58 10.731 -2.128 0.810 389 HG23 THR 58 2HG2 THR 58 11.514 -1.123 2.029 390 H GLY 59 H GLY 59 6.969 -4.415 2.486 391 HA2 GLY 59 2HA GLY 59 6.107 -6.074 4.015 392 HA3 GLY 59 1HA GLY 59 7.504 -5.803 5.055 393 H GLN 60 H GLN 60 7.048 -2.795 4.660 394 HA GLN 60 HA GLN 60 4.707 -2.564 6.510 395 HB2 GLN 60 2HB GLN 60 5.854 -0.880 7.760 396 HB3 GLN 60 1HB GLN 60 7.012 -2.194 7.553 397 HG2 GLN 60 2HG GLN 60 7.683 -0.867 5.378 398 HG3 GLN 60 1HG GLN 60 6.943 0.494 6.220 399 HE21 GLN 60 1HE2 GLN 60 8.935 -2.260 7.438 400 HE22 GLN 60 2HE2 GLN 60 10.096 -1.276 8.191 401 H SER 61 H SER 61 5.973 -1.725 3.505 402 HA SER 61 HA SER 61 4.616 0.909 3.416 403 HB2 SER 61 2HB SER 61 5.991 -0.518 1.134 404 HB3 SER 61 1HB SER 61 5.628 1.198 1.266 405 HG SER 61 HG SER 61 7.124 0.148 3.336 406 H ALA 62 H ALA 62 2.817 1.327 2.104 407 HA ALA 62 HA ALA 62 1.367 -1.103 1.114 408 HB1 ALA 62 1HB ALA 62 -0.698 0.247 1.429 409 HB2 ALA 62 2HB ALA 62 0.278 1.580 2.045 410 HB3 ALA 62 3HB ALA 62 0.191 0.064 2.941 411 H ASP 63 H ASP 63 1.926 2.371 0.474 412 HA ASP 63 HA ASP 63 0.956 2.117 -2.281 413 HB2 ASP 63 2HB ASP 63 2.538 4.398 -1.049 414 HB3 ASP 63 1HB ASP 63 1.535 4.459 -2.499 415 H CYS 64 H CYS 64 2.554 0.254 -2.535 416 HA CYS 64 HA CYS 64 5.334 0.491 -2.574 417 HB2 CYS 64 2HB CYS 64 3.717 -0.956 -4.680 418 HB3 CYS 64 1HB CYS 64 5.343 -1.352 -4.120 419 HA PRO 65 HA PRO 65 6.178 3.448 -5.648 420 HB2 PRO 65 2HB PRO 65 8.852 2.913 -5.817 421 HB3 PRO 65 1HB PRO 65 8.133 3.814 -4.486 422 HG2 PRO 65 2HG PRO 65 9.206 1.045 -4.533 423 HG3 PRO 65 1HG PRO 65 8.993 2.139 -3.157 424 HD2 PRO 65 2HD PRO 65 7.307 -0.032 -3.867 425 HD3 PRO 65 1HD PRO 65 6.984 1.207 -2.638 426 H ARG 66 H ARG 66 7.612 3.474 -7.783 427 HA ARG 66 HA ARG 66 7.496 0.848 -9.176 428 HB2 ARG 66 2HB ARG 66 5.911 3.287 -9.790 429 HB3 ARG 66 1HB ARG 66 6.649 2.474 -11.170 430 HG2 ARG 66 2HG ARG 66 5.677 0.301 -10.096 431 HG3 ARG 66 1HG ARG 66 4.624 1.409 -9.217 432 HD2 ARG 66 2HD ARG 66 4.930 1.373 -12.233 433 HD3 ARG 66 1HD ARG 66 3.611 0.597 -11.356 434 HE ARG 66 HE ARG 66 3.533 3.201 -10.443 435 HH11 ARG 66 1HH2 ARG 66 2.757 1.392 -13.204 436 HH12 ARG 66 2HH2 ARG 66 2.211 2.747 -14.135 437 HH21 ARG 66 1HH1 ARG 66 3.186 5.095 -11.776 438 HH22 ARG 66 2HH1 ARG 66 2.454 4.845 -13.325 439 H TYR 67 H TYR 67 8.652 1.077 -11.385 440 HA TYR 67 HA TYR 67 10.738 3.202 -11.303 441 HB2 TYR 67 2HB TYR 67 11.423 0.317 -11.892 442 HB3 TYR 67 1HB TYR 67 12.527 1.654 -11.568 443 HD1 TYR 67 1HD TYR 67 12.450 2.753 -9.248 444 HD2 TYR 67 2HD TYR 67 10.604 -1.024 -10.133 445 HE1 TYR 67 1HE TYR 67 12.390 2.214 -6.827 446 HE2 TYR 67 2HE TYR 67 10.543 -1.561 -7.714 447 HH TYR 67 HH TYR 67 12.310 0.120 -5.413 448 H HIS 68 H HIS 68 8.294 2.493 -12.979 449 HA HIS 68 HA HIS 68 9.423 3.197 -15.535 450 HB2 HIS 68 2HB HIS 68 9.394 0.414 -14.918 451 HB3 HIS 68 1HB HIS 68 8.146 0.703 -16.131 452 HD1 HIS 68 1HD HIS 68 11.813 1.581 -15.542 453 HD2 HIS 68 2HD HIS 68 9.157 0.948 -18.692 454 HE1 HIS 68 1HE HIS 68 13.182 1.711 -17.669 Start of MODEL 3 1 H GLY 1 1HT GLY 1 2.582 12.853 10.821 2 HA2 GLY 1 1HA GLY 1 1.627 15.420 10.869 3 HA3 GLY 1 2HA GLY 1 2.645 14.703 9.621 4 H LYS 2 H LYS 2 0.852 12.859 8.509 5 HA LYS 2 HA LYS 2 -0.765 14.618 6.861 6 HB2 LYS 2 2HB LYS 2 -0.806 11.589 7.017 7 HB3 LYS 2 1HB LYS 2 -1.427 12.579 5.696 8 HG2 LYS 2 2HG LYS 2 0.809 13.402 5.197 9 HG3 LYS 2 1HG LYS 2 1.468 12.553 6.595 10 HD2 LYS 2 2HD LYS 2 1.955 11.050 4.881 11 HD3 LYS 2 1HD LYS 2 0.401 10.436 5.447 12 HE2 LYS 2 2HE LYS 2 0.044 12.537 3.469 13 HE3 LYS 2 1HE LYS 2 1.026 11.218 2.830 14 HZ1 LYS 2 3HZ LYS 2 -1.384 10.887 2.524 15 HZ2 LYS 2 1HZ LYS 2 -1.579 10.855 4.209 16 HZ3 LYS 2 2HZ LYS 2 -0.658 9.653 3.438 17 H GLU 3 H GLU 3 -3.057 14.748 6.804 18 HA GLU 3 HA GLU 3 -4.377 13.861 9.329 19 HB2 GLU 3 2HB GLU 3 -5.464 15.839 7.315 20 HB3 GLU 3 1HB GLU 3 -5.946 15.628 8.999 21 HG2 GLU 3 2HG GLU 3 -4.414 17.155 9.615 22 HG3 GLU 3 1HG GLU 3 -3.141 16.113 8.979 23 H CYS 4 H CYS 4 -4.085 12.946 6.123 24 HA CYS 4 HA CYS 4 -6.602 11.383 6.347 25 HB2 CYS 4 2HB CYS 4 -7.054 13.296 4.838 26 HB3 CYS 4 1HB CYS 4 -5.689 12.811 3.831 27 H ASP 5 H ASP 5 -6.213 9.252 5.966 28 HA ASP 5 HA ASP 5 -3.620 8.543 4.661 29 HB2 ASP 5 2HB ASP 5 -4.418 7.849 7.154 30 HB3 ASP 5 1HB ASP 5 -5.094 6.501 6.239 31 H CYS 6 H CYS 6 -6.755 8.825 3.868 32 HA CYS 6 HA CYS 6 -6.532 6.718 1.808 33 HB2 CYS 6 2HB CYS 6 -8.815 5.872 2.290 34 HB3 CYS 6 1HB CYS 6 -7.723 5.597 3.648 35 H SER 7 H SER 7 -6.845 7.882 -0.025 36 HA SER 7 HA SER 7 -8.198 10.421 -0.077 37 HB2 SER 7 2HB SER 7 -8.182 9.331 -2.694 38 HB3 SER 7 1HB SER 7 -7.056 10.501 -2.013 39 HG SER 7 HG SER 7 -6.840 7.724 -2.281 40 H SER 8 H SER 8 -9.355 7.215 -0.059 41 HA SER 8 HA SER 8 -11.876 7.934 -1.441 42 HB2 SER 8 2HB SER 8 -11.134 5.285 -0.182 43 HB3 SER 8 1HB SER 8 -12.399 5.589 -1.368 44 HG SER 8 HG SER 8 -10.947 5.603 -2.905 45 HA PRO 9 HA PRO 9 -13.483 8.808 2.655 46 HB2 PRO 9 2HB PRO 9 -15.869 9.835 1.749 47 HB3 PRO 9 1HB PRO 9 -14.359 10.763 1.800 48 HG2 PRO 9 2HG PRO 9 -15.753 9.572 -0.553 49 HG3 PRO 9 1HG PRO 9 -14.675 10.975 -0.480 50 HD2 PRO 9 2HD PRO 9 -13.961 8.392 -1.380 51 HD3 PRO 9 1HD PRO 9 -12.830 9.700 -0.968 52 H GLU 10 H GLU 10 -14.513 6.583 0.314 53 HA GLU 10 HA GLU 10 -16.793 5.606 1.951 54 HB2 GLU 10 2HB GLU 10 -16.762 5.837 -0.662 55 HB3 GLU 10 1HB GLU 10 -15.855 4.326 -0.605 56 HG2 GLU 10 2HG GLU 10 -17.665 3.111 0.071 57 HG3 GLU 10 1HG GLU 10 -18.284 4.414 1.087 58 H ASN 11 H ASN 11 -13.664 5.357 2.311 59 HA ASN 11 HA ASN 11 -13.402 2.420 2.426 60 HB2 ASN 11 2HB ASN 11 -11.584 4.203 1.745 61 HB3 ASN 11 1HB ASN 11 -11.352 4.340 3.488 62 HD21 ASN 11 1HD2 ASN 11 -9.345 3.246 1.707 63 HD22 ASN 11 2HD2 ASN 11 -9.139 1.610 2.107 64 HA PRO 12 HA PRO 12 -14.789 2.659 6.680 65 HB2 PRO 12 2HB PRO 12 -14.815 -0.062 7.078 66 HB3 PRO 12 1HB PRO 12 -16.110 0.820 6.249 67 HG2 PRO 12 2HG PRO 12 -13.987 -0.926 5.089 68 HG3 PRO 12 1HG PRO 12 -15.606 -0.565 4.468 69 HD2 PRO 12 2HD PRO 12 -13.193 0.580 3.545 70 HD3 PRO 12 1HD PRO 12 -14.829 1.177 3.194 71 H CYS 13 H CYS 13 -11.839 1.424 5.432 72 HA CYS 13 HA CYS 13 -10.699 0.498 7.934 73 HB2 CYS 13 2HB CYS 13 -10.000 0.080 5.392 74 HB3 CYS 13 1HB CYS 13 -8.970 1.478 5.701 75 H CYS 14 H CYS 14 -11.251 3.594 6.547 76 HA CYS 14 HA CYS 14 -9.485 4.789 8.638 77 HB2 CYS 14 2HB CYS 14 -8.976 6.633 7.062 78 HB3 CYS 14 1HB CYS 14 -8.422 5.078 6.441 79 H ASP 15 H ASP 15 -10.395 6.419 9.814 80 HA ASP 15 HA ASP 15 -13.243 6.779 9.761 81 HB2 ASP 15 2HB ASP 15 -11.520 7.159 11.699 82 HB3 ASP 15 1HB ASP 15 -11.361 8.772 11.004 83 H ALA 16 H ALA 16 -14.400 8.072 8.421 84 HA ALA 16 HA ALA 16 -13.110 9.762 6.465 85 HB1 ALA 16 1HB ALA 16 -15.214 8.738 5.886 86 HB2 ALA 16 2HB ALA 16 -15.490 10.479 5.966 87 HB3 ALA 16 3HB ALA 16 -16.006 9.441 7.296 88 H ALA 17 H ALA 17 -14.806 10.365 9.523 89 HA ALA 17 HA ALA 17 -15.059 13.151 9.429 90 HB1 ALA 17 1HB ALA 17 -15.710 11.506 11.319 91 HB2 ALA 17 2HB ALA 17 -15.160 13.113 11.796 92 HB3 ALA 17 3HB ALA 17 -14.062 11.736 11.904 93 H THR 18 H THR 18 -12.169 11.202 9.982 94 HA THR 18 HA THR 18 -10.578 13.730 10.109 95 HB THR 18 HB THR 18 -8.810 12.333 11.172 96 HG1 THR 18 1HG THR 18 -9.811 10.241 11.963 97 HG21 THR 18 3HG2 THR 18 -9.731 12.608 13.246 98 HG22 THR 18 1HG2 THR 18 -11.201 11.732 12.821 99 HG23 THR 18 2HG2 THR 18 -11.003 13.416 12.333 100 H CYS 19 H CYS 19 -11.212 10.859 8.299 101 HA CYS 19 HA CYS 19 -10.485 10.342 6.107 102 HB2 CYS 19 2HB CYS 19 -9.946 12.965 6.173 103 HB3 CYS 19 1HB CYS 19 -8.288 12.363 6.191 104 H LYS 20 H LYS 20 -9.042 9.788 8.899 105 HA LYS 20 HA LYS 20 -6.615 8.573 7.629 106 HB2 LYS 20 2HB LYS 20 -6.870 9.149 10.578 107 HB3 LYS 20 1HB LYS 20 -5.407 8.847 9.639 108 HG2 LYS 20 2HG LYS 20 -5.714 10.973 8.442 109 HG3 LYS 20 1HG LYS 20 -7.202 11.276 9.339 110 HD2 LYS 20 2HD LYS 20 -5.399 12.509 10.399 111 HD3 LYS 20 1HD LYS 20 -5.874 11.185 11.463 112 HE2 LYS 20 2HE LYS 20 -3.347 11.529 11.069 113 HE3 LYS 20 1HE LYS 20 -3.975 9.891 10.891 114 HZ1 LYS 20 3HZ LYS 20 -3.932 11.644 8.542 115 HZ2 LYS 20 1HZ LYS 20 -3.778 9.957 8.632 116 HZ3 LYS 20 2HZ LYS 20 -2.469 10.953 9.061 117 H LEU 21 H LEU 21 -5.841 6.610 9.033 118 HA LEU 21 HA LEU 21 -7.694 4.526 8.792 119 HB2 LEU 21 2HB LEU 21 -5.140 4.905 10.265 120 HB3 LEU 21 1HB LEU 21 -6.143 3.539 10.758 121 HG LEU 21 HG LEU 21 -6.242 3.448 7.982 122 HD11 LEU 21 1HD1 LEU 21 -3.586 4.460 8.955 123 HD12 LEU 21 2HD1 LEU 21 -4.483 4.908 7.504 124 HD13 LEU 21 3HD1 LEU 21 -3.648 3.356 7.581 125 HD21 LEU 21 3HD2 LEU 21 -5.536 1.811 10.123 126 HD22 LEU 21 1HD2 LEU 21 -4.083 1.842 9.123 127 HD23 LEU 21 2HD2 LEU 21 -5.619 1.320 8.431 128 H ARG 22 H ARG 22 -8.314 3.136 10.893 129 HA ARG 22 HA ARG 22 -9.289 4.936 13.032 130 HB2 ARG 22 2HB ARG 22 -11.255 4.996 11.826 131 HB3 ARG 22 1HB ARG 22 -11.019 3.396 11.138 132 HG2 ARG 22 2HG ARG 22 -11.726 2.316 13.136 133 HG3 ARG 22 1HG ARG 22 -11.510 3.778 14.095 134 HD2 ARG 22 2HD ARG 22 -13.344 4.389 12.000 135 HD3 ARG 22 1HD ARG 22 -13.868 2.881 12.749 136 HE ARG 22 HE ARG 22 -13.273 5.276 14.433 137 HH11 ARG 22 1HH1 ARG 22 -14.346 2.416 15.204 138 HH12 ARG 22 2HH1 ARG 22 -15.988 2.823 15.569 139 HH21 ARG 22 1HH2 ARG 22 -15.820 5.956 14.093 140 HH22 ARG 22 2HH2 ARG 22 -16.824 4.827 14.940 141 HA PRO 23 HA PRO 23 -9.587 0.549 14.810 142 HB2 PRO 23 2HB PRO 23 -9.269 -1.609 13.132 143 HB3 PRO 23 1HB PRO 23 -10.838 -0.876 13.510 144 HG2 PRO 23 2HG PRO 23 -9.187 -0.616 11.027 145 HG3 PRO 23 1HG PRO 23 -10.948 -0.559 11.217 146 HD2 PRO 23 2HD PRO 23 -9.321 1.682 10.877 147 HD3 PRO 23 1HD PRO 23 -10.956 1.703 11.566 148 H GLY 24 H GLY 24 -7.963 -1.736 14.474 149 HA2 GLY 24 2HA GLY 24 -5.323 -0.553 14.903 150 HA3 GLY 24 1HA GLY 24 -5.736 -2.256 15.084 151 H ALA 25 H ALA 25 -6.804 -0.995 12.106 152 HA ALA 25 HA ALA 25 -5.006 -2.679 10.610 153 HB1 ALA 25 1HB ALA 25 -6.971 -2.323 9.430 154 HB2 ALA 25 2HB ALA 25 -5.953 -1.093 8.682 155 HB3 ALA 25 3HB ALA 25 -7.098 -0.641 9.944 156 H GLN 26 H GLN 26 -3.132 -2.079 9.404 157 HA GLN 26 HA GLN 26 -1.827 0.372 10.380 158 HB2 GLN 26 2HB GLN 26 0.175 -0.558 9.580 159 HB3 GLN 26 1HB GLN 26 -0.758 -1.984 10.034 160 HG2 GLN 26 2HG GLN 26 -0.023 -2.571 7.901 161 HG3 GLN 26 1HG GLN 26 -1.606 -1.880 7.549 162 HE21 GLN 26 1HE2 GLN 26 0.143 -1.797 5.443 163 HE22 GLN 26 2HE2 GLN 26 0.762 -0.233 5.219 164 H CYS 27 H CYS 27 -3.355 -0.782 7.444 165 HA CYS 27 HA CYS 27 -2.965 1.917 6.254 166 HB2 CYS 27 2HB CYS 27 -2.455 0.770 4.056 167 HB3 CYS 27 1HB CYS 27 -1.182 0.643 5.273 168 H GLY 28 H GLY 28 -4.676 2.562 4.941 169 HA2 GLY 28 2HA GLY 28 -7.044 0.761 4.956 170 HA3 GLY 28 1HA GLY 28 -7.104 2.509 4.746 171 H GLU 29 H GLU 29 -4.778 2.393 2.886 172 HA GLU 29 HA GLU 29 -5.863 0.879 0.593 173 HB2 GLU 29 2HB GLU 29 -6.200 2.763 -0.786 174 HB3 GLU 29 1HB GLU 29 -6.919 3.228 0.749 175 HG2 GLU 29 2HG GLU 29 -5.611 5.071 0.625 176 HG3 GLU 29 1HG GLU 29 -4.281 3.997 1.061 177 H GLY 30 H GLY 30 -4.257 0.542 -1.057 178 HA2 GLY 30 2HA GLY 30 -1.837 1.744 -1.495 179 HA3 GLY 30 1HA GLY 30 -1.505 0.767 -0.064 180 H LEU 31 H LEU 31 -0.254 0.334 -2.597 181 HA LEU 31 HA LEU 31 -1.555 -1.812 -4.040 182 HB2 LEU 31 2HB LEU 31 1.201 -0.623 -3.989 183 HB3 LEU 31 1HB LEU 31 0.959 -2.184 -4.774 184 HG LEU 31 HG LEU 31 -1.096 -0.236 -5.492 185 HD11 LEU 31 1HD1 LEU 31 1.502 0.807 -5.259 186 HD12 LEU 31 2HD1 LEU 31 0.152 1.525 -6.139 187 HD13 LEU 31 3HD1 LEU 31 1.290 0.471 -6.978 188 HD21 LEU 31 3HD2 LEU 31 -0.459 -1.023 -7.766 189 HD22 LEU 31 1HD2 LEU 31 -0.750 -2.366 -6.663 190 HD23 LEU 31 2HD2 LEU 31 0.901 -1.896 -7.061 191 H CYS 32 H CYS 32 0.740 -1.646 -1.363 192 HA CYS 32 HA CYS 32 0.870 -4.615 -1.283 193 HB2 CYS 32 2HB CYS 32 2.376 -2.590 0.394 194 HB3 CYS 32 1HB CYS 32 2.716 -4.314 0.262 195 H CYS 33 H CYS 33 -1.140 -2.290 -0.102 196 HA CYS 33 HA CYS 33 -1.321 -3.277 2.652 197 HB2 CYS 33 2HB CYS 33 -1.843 -0.913 2.116 198 HB3 CYS 33 1HB CYS 33 -3.205 -1.444 1.134 199 H GLU 34 H GLU 34 -2.079 -5.331 2.851 200 HA GLU 34 HA GLU 34 -4.540 -6.052 1.306 201 HB2 GLU 34 2HB GLU 34 -2.360 -7.859 2.399 202 HB3 GLU 34 1HB GLU 34 -3.817 -8.412 1.575 203 HG2 GLU 34 2HG GLU 34 -2.624 -6.409 -0.061 204 HG3 GLU 34 1HG GLU 34 -1.351 -7.534 0.413 205 H GLN 35 H GLN 35 -6.328 -6.580 2.528 206 HA GLN 35 HA GLN 35 -7.640 -6.933 4.448 207 HB2 GLN 35 2HB GLN 35 -5.637 -8.787 4.566 208 HB3 GLN 35 1HB GLN 35 -5.363 -7.909 6.071 209 HG2 GLN 35 2HG GLN 35 -7.438 -8.489 6.948 210 HG3 GLN 35 1HG GLN 35 -8.156 -8.736 5.355 211 HE21 GLN 35 1HE2 GLN 35 -8.851 -10.935 5.842 212 HE22 GLN 35 2HE2 GLN 35 -7.735 -12.202 6.013 213 H CYS 36 H CYS 36 -5.997 -4.464 4.035 214 HA CYS 36 HA CYS 36 -5.541 -2.488 5.211 215 HB2 CYS 36 2HB CYS 36 -7.398 -3.945 7.072 216 HB3 CYS 36 1HB CYS 36 -6.581 -2.489 7.617 217 H LYS 37 H LYS 37 -3.495 -4.341 5.181 218 HA LYS 37 HA LYS 37 -2.185 -3.751 7.760 219 HB2 LYS 37 2HB LYS 37 -3.258 -6.324 7.149 220 HB3 LYS 37 1HB LYS 37 -1.500 -6.443 7.080 221 HG2 LYS 37 2HG LYS 37 -1.249 -5.656 9.305 222 HG3 LYS 37 1HG LYS 37 -2.912 -5.071 9.368 223 HD2 LYS 37 2HD LYS 37 -3.800 -7.206 9.629 224 HD3 LYS 37 1HD LYS 37 -2.412 -7.986 8.870 225 HE2 LYS 37 2HE LYS 37 -1.047 -7.174 10.880 226 HE3 LYS 37 1HE LYS 37 -2.593 -6.806 11.647 227 HZ1 LYS 37 3HZ LYS 37 -3.199 -9.190 11.047 228 HZ2 LYS 37 1HZ LYS 37 -2.108 -8.962 12.326 229 HZ3 LYS 37 2HZ LYS 37 -1.536 -9.430 10.797 230 H PHE 38 H PHE 38 0.191 -4.467 7.603 231 HA PHE 38 HA PHE 38 1.265 -3.444 5.087 232 HB2 PHE 38 2HB PHE 38 2.353 -4.271 7.742 233 HB3 PHE 38 1HB PHE 38 3.461 -4.233 6.376 234 HD1 PHE 38 1HD PHE 38 3.044 -2.038 4.800 235 HD2 PHE 38 2HD PHE 38 2.255 -2.333 9.013 236 HE1 PHE 38 1HE PHE 38 3.219 0.428 5.006 237 HE2 PHE 38 2HE PHE 38 2.429 0.132 9.218 238 HZ PHE 38 HZ PHE 38 2.909 1.513 7.214 239 H SER 39 H SER 39 1.476 -4.787 3.342 240 HA SER 39 HA SER 39 1.293 -7.630 3.471 241 HB2 SER 39 2HB SER 39 2.126 -5.640 1.416 242 HB3 SER 39 1HB SER 39 2.647 -7.303 1.170 243 HG SER 39 HG SER 39 0.639 -7.086 0.251 244 H ARG 40 H ARG 40 3.134 -9.152 2.916 245 HA ARG 40 HA ARG 40 5.378 -8.593 4.682 246 HB2 ARG 40 2HB ARG 40 4.566 -10.890 2.916 247 HB3 ARG 40 1HB ARG 40 6.209 -10.826 3.555 248 HG2 ARG 40 2HG ARG 40 5.520 -11.429 5.615 249 HG3 ARG 40 1HG ARG 40 4.237 -10.219 5.609 250 HD2 ARG 40 2HD ARG 40 3.146 -11.942 3.881 251 HD3 ARG 40 1HD ARG 40 4.147 -13.082 4.780 252 HE ARG 40 HE ARG 40 2.784 -11.520 6.693 253 HH11 ARG 40 1HH1 ARG 40 0.532 -11.657 4.760 254 HH12 ARG 40 2HH1 ARG 40 -0.239 -13.148 5.185 255 HH21 ARG 40 1HH2 ARG 40 2.475 -14.343 6.983 256 HH22 ARG 40 2HH2 ARG 40 0.863 -14.670 6.443 257 H ALA 41 H ALA 41 7.673 -8.760 3.894 258 HA ALA 41 HA ALA 41 8.110 -6.958 1.673 259 HB1 ALA 41 1HB ALA 41 9.665 -8.097 3.794 260 HB2 ALA 41 2HB ALA 41 10.095 -6.760 2.727 261 HB3 ALA 41 3HB ALA 41 10.496 -8.415 2.272 262 H GLY 42 H GLY 42 9.565 -7.616 -0.206 263 HA2 GLY 42 2HA GLY 42 9.990 -9.038 -2.039 264 HA3 GLY 42 1HA GLY 42 9.625 -10.406 -0.984 265 H LYS 43 H LYS 43 7.298 -7.860 -1.096 266 HA LYS 43 HA LYS 43 5.378 -9.713 -2.383 267 HB2 LYS 43 2HB LYS 43 4.502 -8.630 -0.450 268 HB3 LYS 43 1HB LYS 43 5.095 -7.058 -0.971 269 HG2 LYS 43 2HG LYS 43 2.793 -6.973 -1.481 270 HG3 LYS 43 1HG LYS 43 3.532 -7.379 -3.022 271 HD2 LYS 43 2HD LYS 43 2.524 -9.400 -3.084 272 HD3 LYS 43 1HD LYS 43 2.981 -9.754 -1.417 273 HE2 LYS 43 2HE LYS 43 1.044 -8.811 -0.541 274 HE3 LYS 43 1HE LYS 43 0.808 -7.752 -1.932 275 HZ1 LYS 43 3HZ LYS 43 0.590 -10.699 -2.125 276 HZ2 LYS 43 1HZ LYS 43 0.053 -9.535 -3.236 277 HZ3 LYS 43 2HZ LYS 43 -0.740 -9.712 -1.743 278 H ILE 44 H ILE 44 5.079 -9.637 -4.543 279 HA ILE 44 HA ILE 44 6.188 -7.545 -6.175 280 HB ILE 44 HB ILE 44 4.754 -10.073 -6.578 281 HG12 ILE 44 2HG1 ILE 44 7.123 -9.781 -7.054 282 HG13 ILE 44 1HG1 ILE 44 6.272 -10.103 -8.566 283 HG21 ILE 44 1HG2 ILE 44 3.036 -8.923 -7.713 284 HG22 ILE 44 2HG2 ILE 44 4.167 -9.336 -9.002 285 HG23 ILE 44 3HG2 ILE 44 4.143 -7.702 -8.339 286 HD11 ILE 44 3HD1 ILE 44 7.402 -8.250 -9.281 287 HD12 ILE 44 1HD1 ILE 44 7.614 -7.625 -7.645 288 HD13 ILE 44 2HD1 ILE 44 6.079 -7.399 -8.482 289 H CYS 45 H CYS 45 5.363 -5.530 -5.769 290 HA CYS 45 HA CYS 45 2.443 -5.116 -5.557 291 HB2 CYS 45 2HB CYS 45 3.123 -2.720 -5.261 292 HB3 CYS 45 1HB CYS 45 3.840 -3.804 -4.073 293 H ARG 46 H ARG 46 5.065 -4.761 -7.808 294 HA ARG 46 HA ARG 46 3.108 -4.036 -9.924 295 HB2 ARG 46 2HB ARG 46 5.339 -2.358 -8.939 296 HB3 ARG 46 1HB ARG 46 5.264 -2.542 -10.692 297 HG2 ARG 46 2HG ARG 46 3.070 -1.645 -10.804 298 HG3 ARG 46 1HG ARG 46 2.817 -1.838 -9.069 299 HD2 ARG 46 2HD ARG 46 4.446 -0.104 -8.584 300 HD3 ARG 46 1HD ARG 46 4.875 0.020 -10.290 301 HE ARG 46 HE ARG 46 2.095 0.647 -9.401 302 HH11 ARG 46 1HH1 ARG 46 3.920 2.931 -8.964 303 HH12 ARG 46 2HH1 ARG 46 3.859 3.769 -10.479 304 HH21 ARG 46 1HH2 ARG 46 2.507 1.089 -12.211 305 HH22 ARG 46 2HH2 ARG 46 3.058 2.727 -12.315 306 H ILE 47 H ILE 47 3.367 -6.126 -10.788 307 HA ILE 47 HA ILE 47 5.900 -7.398 -11.194 308 HB ILE 47 HB ILE 47 3.593 -8.483 -11.228 309 HG12 ILE 47 2HG1 ILE 47 4.382 -9.843 -13.439 310 HG13 ILE 47 1HG1 ILE 47 5.875 -8.983 -13.056 311 HG21 ILE 47 1HG2 ILE 47 2.271 -8.385 -13.177 312 HG22 ILE 47 2HG2 ILE 47 3.589 -7.729 -14.146 313 HG23 ILE 47 3HG2 ILE 47 2.787 -6.714 -12.948 314 HD11 ILE 47 3HD1 ILE 47 4.286 -10.717 -11.142 315 HD12 ILE 47 1HD1 ILE 47 5.752 -9.827 -10.730 316 HD13 ILE 47 2HD1 ILE 47 5.821 -11.149 -11.894 317 H ALA 48 H ALA 48 7.475 -6.617 -12.496 318 HA ALA 48 HA ALA 48 6.764 -4.913 -14.804 319 HB1 ALA 48 1HB ALA 48 8.714 -4.500 -13.128 320 HB2 ALA 48 2HB ALA 48 9.026 -4.262 -14.847 321 HB3 ALA 48 3HB ALA 48 9.562 -5.742 -14.050 322 H ARG 49 H ARG 49 6.823 -5.645 -16.897 323 HA ARG 49 HA ARG 49 7.890 -8.408 -17.326 324 HB2 ARG 49 2HB ARG 49 5.763 -7.085 -19.016 325 HB3 ARG 49 1HB ARG 49 6.168 -8.798 -18.917 326 HG2 ARG 49 2HG ARG 49 5.299 -7.408 -16.413 327 HG3 ARG 49 1HG ARG 49 4.071 -7.816 -17.611 328 HD2 ARG 49 2HD ARG 49 6.017 -9.730 -16.293 329 HD3 ARG 49 1HD ARG 49 4.272 -9.663 -16.043 330 HE ARG 49 HE ARG 49 4.695 -10.049 -18.812 331 HH11 ARG 49 1HH1 ARG 49 3.694 -11.715 -16.172 332 HH12 ARG 49 2HH1 ARG 49 4.289 -13.267 -16.658 333 HH21 ARG 49 1HH2 ARG 49 6.157 -12.016 -19.299 334 HH22 ARG 49 2HH2 ARG 49 5.684 -13.438 -18.430 335 H GLY 50 H GLY 50 9.494 -8.592 -18.827 336 HA2 GLY 50 2HA GLY 50 10.017 -7.658 -21.237 337 HA3 GLY 50 1HA GLY 50 10.221 -6.147 -20.356 338 H ASP 51 H ASP 51 12.088 -5.844 -19.148 339 HA ASP 51 HA ASP 51 13.916 -8.085 -18.632 340 HB2 ASP 51 2HB ASP 51 14.214 -6.419 -20.983 341 HB3 ASP 51 1HB ASP 51 15.596 -6.212 -19.906 342 H TRP 52 H TRP 52 12.580 -6.335 -16.880 343 HA TRP 52 HA TRP 52 14.899 -4.822 -15.762 344 HB2 TRP 52 2HB TRP 52 12.848 -3.338 -14.829 345 HB3 TRP 52 1HB TRP 52 13.679 -2.967 -16.338 346 HD1 TRP 52 HD TRP 52 10.880 -5.508 -15.442 347 HE1 TRP 52 1HE TRP 52 8.996 -5.255 -17.181 348 HE3 TRP 52 3HE TRP 52 12.797 -1.718 -18.278 349 HZ2 TRP 52 2HZ TRP 52 8.381 -3.658 -19.472 350 HZ3 TRP 52 3HZ TRP 52 11.541 -0.850 -20.230 351 HH2 TRP 52 HH TRP 52 9.337 -1.814 -20.831 352 H ASN 53 H ASN 53 14.362 -4.261 -13.345 353 HA ASN 53 HA ASN 53 13.584 -6.801 -12.067 354 HB2 ASN 53 2HB ASN 53 14.645 -4.204 -10.907 355 HB3 ASN 53 1HB ASN 53 14.358 -5.678 -9.981 356 HD21 ASN 53 1HD2 ASN 53 16.917 -4.088 -11.026 357 HD22 ASN 53 2HD2 ASN 53 17.911 -5.348 -11.578 358 H ASP 54 H ASP 54 11.682 -7.106 -10.954 359 HA ASP 54 HA ASP 54 9.543 -5.186 -11.309 360 HB2 ASP 54 2HB ASP 54 9.569 -7.558 -9.425 361 HB3 ASP 54 1HB ASP 54 8.162 -6.779 -10.151 362 H ASP 55 H ASP 55 8.167 -4.989 -9.000 363 HA ASP 55 HA ASP 55 10.092 -3.679 -7.117 364 HB2 ASP 55 2HB ASP 55 8.596 -2.106 -8.404 365 HB3 ASP 55 1HB ASP 55 7.214 -2.871 -7.620 366 H ARG 56 H ARG 56 10.197 -4.848 -5.269 367 HA ARG 56 HA ARG 56 7.814 -6.428 -4.430 368 HB2 ARG 56 2HB ARG 56 10.606 -6.557 -3.279 369 HB3 ARG 56 1HB ARG 56 9.312 -7.743 -3.119 370 HG2 ARG 56 2HG ARG 56 9.767 -7.278 -5.907 371 HG3 ARG 56 1HG ARG 56 11.316 -7.615 -5.136 372 HD2 ARG 56 2HD ARG 56 9.852 -9.517 -3.940 373 HD3 ARG 56 1HD ARG 56 8.926 -9.369 -5.432 374 HE ARG 56 HE ARG 56 11.785 -10.195 -5.260 375 HH11 ARG 56 1HH2 ARG 56 10.503 -8.627 -7.699 376 HH12 ARG 56 2HH2 ARG 56 10.298 -9.952 -8.795 377 HH21 ARG 56 1HH1 ARG 56 10.822 -12.379 -6.374 378 HH22 ARG 56 2HH1 ARG 56 10.481 -12.077 -8.045 379 H CYS 57 H CYS 57 6.683 -5.862 -2.615 380 HA CYS 57 HA CYS 57 7.104 -3.335 -1.348 381 HB2 CYS 57 2HB CYS 57 5.710 -5.660 -0.014 382 HB3 CYS 57 1HB CYS 57 5.366 -3.942 0.152 383 H THR 58 H THR 58 8.030 -2.854 0.696 384 HA THR 58 HA THR 58 10.246 -4.617 1.440 385 HB THR 58 HB THR 58 11.013 -2.800 2.790 386 HG1 THR 58 1HG THR 58 9.572 -1.748 3.863 387 HG21 THR 58 3HG2 THR 58 11.263 -2.361 0.418 388 HG22 THR 58 1HG2 THR 58 10.815 -0.855 1.218 389 HG23 THR 58 2HG2 THR 58 9.605 -1.767 0.315 390 H GLY 59 H GLY 59 7.167 -5.008 2.094 391 HA2 GLY 59 2HA GLY 59 6.250 -6.420 3.780 392 HA3 GLY 59 1HA GLY 59 7.725 -6.219 4.719 393 H GLN 60 H GLN 60 7.764 -3.344 4.692 394 HA GLN 60 HA GLN 60 5.386 -2.812 6.425 395 HB2 GLN 60 2HB GLN 60 8.104 -1.463 6.487 396 HB3 GLN 60 1HB GLN 60 6.780 -1.209 7.626 397 HG2 GLN 60 2HG GLN 60 7.349 -4.028 7.414 398 HG3 GLN 60 1HG GLN 60 8.830 -3.148 7.795 399 HE21 GLN 60 1HE2 GLN 60 9.099 -3.153 10.032 400 HE22 GLN 60 2HE2 GLN 60 7.860 -2.892 11.163 401 H SER 61 H SER 61 6.130 -2.372 3.390 402 HA SER 61 HA SER 61 5.443 0.538 3.326 403 HB2 SER 61 2HB SER 61 7.443 0.211 2.092 404 HB3 SER 61 1HB SER 61 6.845 -1.275 1.361 405 HG SER 61 HG SER 61 6.623 0.328 -0.148 406 H ALA 62 H ALA 62 3.358 0.985 2.821 407 HA ALA 62 HA ALA 62 1.641 -1.133 1.703 408 HB1 ALA 62 1HB ALA 62 -0.046 -0.001 2.699 409 HB2 ALA 62 2HB ALA 62 0.436 1.520 1.949 410 HB3 ALA 62 3HB ALA 62 1.205 0.993 3.446 411 H ASP 63 H ASP 63 3.062 1.944 0.719 412 HA ASP 63 HA ASP 63 1.639 1.909 -1.860 413 HB2 ASP 63 2HB ASP 63 3.924 3.698 -0.974 414 HB3 ASP 63 1HB ASP 63 2.802 3.988 -2.304 415 H CYS 64 H CYS 64 2.896 1.875 -3.916 416 HA CYS 64 HA CYS 64 5.413 0.290 -3.633 417 HB2 CYS 64 2HB CYS 64 3.708 -1.224 -4.392 418 HB3 CYS 64 1HB CYS 64 3.149 -0.083 -5.610 419 HA PRO 65 HA PRO 65 6.918 3.659 -6.071 420 HB2 PRO 65 2HB PRO 65 9.533 2.897 -5.797 421 HB3 PRO 65 1HB PRO 65 8.657 3.804 -4.563 422 HG2 PRO 65 2HG PRO 65 9.499 0.955 -4.582 423 HG3 PRO 65 1HG PRO 65 9.124 2.004 -3.204 424 HD2 PRO 65 2HD PRO 65 7.431 0.018 -4.329 425 HD3 PRO 65 1HD PRO 65 6.980 1.229 -3.111 426 H ARG 66 H ARG 66 8.967 3.509 -7.807 427 HA ARG 66 HA ARG 66 8.774 1.005 -9.372 428 HB2 ARG 66 2HB ARG 66 8.168 2.196 -11.436 429 HB3 ARG 66 1HB ARG 66 6.922 2.426 -10.209 430 HG2 ARG 66 2HG ARG 66 8.837 4.482 -9.819 431 HG3 ARG 66 1HG ARG 66 8.499 4.422 -11.549 432 HD2 ARG 66 2HD ARG 66 5.996 4.118 -10.331 433 HD3 ARG 66 1HD ARG 66 6.806 5.363 -9.381 434 HE ARG 66 HE ARG 66 7.287 6.195 -11.944 435 HH11 ARG 66 1HH2 ARG 66 5.370 7.742 -10.347 436 HH12 ARG 66 2HH2 ARG 66 3.888 7.569 -11.226 437 HH21 ARG 66 1HH1 ARG 66 4.985 4.839 -13.061 438 HH22 ARG 66 2HH1 ARG 66 3.670 5.926 -12.762 439 H TYR 67 H TYR 67 10.431 0.954 -11.113 440 HA TYR 67 HA TYR 67 12.585 2.986 -10.794 441 HB2 TYR 67 2HB TYR 67 13.368 0.103 -11.005 442 HB3 TYR 67 1HB TYR 67 14.237 1.447 -10.260 443 HD1 TYR 67 1HD TYR 67 13.524 2.324 -8.036 444 HD2 TYR 67 2HD TYR 67 11.758 -1.185 -9.773 445 HE1 TYR 67 1HE TYR 67 12.588 1.700 -5.825 446 HE2 TYR 67 2HE TYR 67 10.823 -1.809 -7.563 447 HH TYR 67 HH TYR 67 10.630 -1.259 -5.428 448 H HIS 68 H HIS 68 11.176 3.305 -12.941 449 HA HIS 68 HA HIS 68 12.906 2.522 -15.128 450 HB2 HIS 68 2HB HIS 68 11.612 0.417 -14.837 451 HB3 HIS 68 1HB HIS 68 10.118 1.324 -15.069 452 HD1 HIS 68 1HD HIS 68 9.342 1.569 -17.431 453 HD2 HIS 68 2HD HIS 68 13.405 0.653 -17.233 454 HE1 HIS 68 1HE HIS 68 10.122 1.253 -19.820 Start of MODEL 4 1 H GLY 1 1HT GLY 1 4.662 15.741 6.857 2 HA2 GLY 1 1HA GLY 1 3.489 14.990 8.665 3 HA3 GLY 1 2HA GLY 1 2.544 16.477 8.760 4 H LYS 2 H LYS 2 1.922 13.443 8.321 5 HA LYS 2 HA LYS 2 0.125 13.863 5.964 6 HB2 LYS 2 2HB LYS 2 1.313 11.269 7.000 7 HB3 LYS 2 1HB LYS 2 0.236 11.423 5.612 8 HG2 LYS 2 2HG LYS 2 1.847 12.609 4.348 9 HG3 LYS 2 1HG LYS 2 2.823 12.969 5.773 10 HD2 LYS 2 2HD LYS 2 2.479 10.109 5.485 11 HD3 LYS 2 1HD LYS 2 3.149 10.800 4.007 12 HE2 LYS 2 2HE LYS 2 4.932 11.885 5.277 13 HE3 LYS 2 1HE LYS 2 4.237 11.307 6.792 14 HZ1 LYS 2 3HZ LYS 2 4.977 9.219 6.446 15 HZ2 LYS 2 1HZ LYS 2 6.142 10.010 5.498 16 HZ3 LYS 2 2HZ LYS 2 4.788 9.298 4.758 17 H GLU 3 H GLU 3 -1.929 14.147 6.671 18 HA GLU 3 HA GLU 3 -2.818 12.578 9.061 19 HB2 GLU 3 2HB GLU 3 -4.422 14.392 9.498 20 HB3 GLU 3 1HB GLU 3 -2.779 15.032 9.442 21 HG2 GLU 3 2HG GLU 3 -3.293 15.413 6.902 22 HG3 GLU 3 1HG GLU 3 -4.978 15.298 7.411 23 H CYS 4 H CYS 4 -2.900 12.191 5.957 24 HA CYS 4 HA CYS 4 -5.780 11.407 5.917 25 HB2 CYS 4 2HB CYS 4 -4.294 13.141 4.044 26 HB3 CYS 4 1HB CYS 4 -5.228 11.862 3.268 27 H ASP 5 H ASP 5 -4.965 9.265 6.514 28 HA ASP 5 HA ASP 5 -3.031 7.878 4.877 29 HB2 ASP 5 2HB ASP 5 -4.734 7.274 7.179 30 HB3 ASP 5 1HB ASP 5 -4.598 5.914 6.065 31 H CYS 6 H CYS 6 -6.241 8.771 4.311 32 HA CYS 6 HA CYS 6 -6.331 6.962 1.964 33 HB2 CYS 6 2HB CYS 6 -8.415 7.086 4.147 34 HB3 CYS 6 1HB CYS 6 -8.801 6.529 2.519 35 H SER 7 H SER 7 -7.906 7.727 0.344 36 HA SER 7 HA SER 7 -8.556 10.626 0.710 37 HB2 SER 7 2HB SER 7 -8.500 10.077 -2.044 38 HB3 SER 7 1HB SER 7 -7.293 10.971 -1.123 39 HG SER 7 HG SER 7 -6.004 9.319 -1.275 40 H SER 8 H SER 8 -10.055 7.848 0.945 41 HA SER 8 HA SER 8 -12.398 8.697 -0.706 42 HB2 SER 8 2HB SER 8 -11.079 6.297 -0.857 43 HB3 SER 8 1HB SER 8 -12.365 5.922 0.286 44 HG SER 8 HG SER 8 -13.808 6.188 -1.246 45 HA PRO 9 HA PRO 9 -14.222 9.226 3.324 46 HB2 PRO 9 2HB PRO 9 -16.670 10.068 2.401 47 HB3 PRO 9 1HB PRO 9 -15.242 11.115 2.483 48 HG2 PRO 9 2HG PRO 9 -16.506 9.845 0.096 49 HG3 PRO 9 1HG PRO 9 -15.552 11.334 0.202 50 HD2 PRO 9 2HD PRO 9 -14.610 8.835 -0.723 51 HD3 PRO 9 1HD PRO 9 -13.601 10.227 -0.277 52 H GLU 10 H GLU 10 -15.447 7.211 0.745 53 HA GLU 10 HA GLU 10 -17.444 5.919 2.492 54 HB2 GLU 10 2HB GLU 10 -16.621 5.535 -0.392 55 HB3 GLU 10 1HB GLU 10 -17.747 4.444 0.416 56 HG2 GLU 10 2HG GLU 10 -19.269 6.283 0.890 57 HG3 GLU 10 1HG GLU 10 -18.115 7.449 0.240 58 H ASN 11 H ASN 11 -14.298 5.777 2.661 59 HA ASN 11 HA ASN 11 -13.908 2.862 2.436 60 HB2 ASN 11 2HB ASN 11 -12.108 4.506 1.808 61 HB3 ASN 11 1HB ASN 11 -11.995 4.953 3.511 62 HD21 ASN 11 1HD2 ASN 11 -9.868 3.649 1.913 63 HD22 ASN 11 2HD2 ASN 11 -9.556 2.156 2.659 64 HA PRO 12 HA PRO 12 -15.151 2.472 6.709 65 HB2 PRO 12 2HB PRO 12 -14.945 -0.269 6.779 66 HB3 PRO 12 1HB PRO 12 -16.325 0.591 6.076 67 HG2 PRO 12 2HG PRO 12 -14.099 -0.830 4.694 68 HG3 PRO 12 1HG PRO 12 -15.751 -0.516 4.133 69 HD2 PRO 12 2HD PRO 12 -13.430 0.911 3.354 70 HD3 PRO 12 1HD PRO 12 -15.112 1.403 3.058 71 H CYS 13 H CYS 13 -12.205 1.211 5.273 72 HA CYS 13 HA CYS 13 -10.985 0.525 7.846 73 HB2 CYS 13 2HB CYS 13 -10.322 0.256 5.002 74 HB3 CYS 13 1HB CYS 13 -8.930 0.695 5.991 75 H CYS 14 H CYS 14 -11.561 3.413 6.206 76 HA CYS 14 HA CYS 14 -9.382 4.728 7.768 77 HB2 CYS 14 2HB CYS 14 -10.079 5.022 4.870 78 HB3 CYS 14 1HB CYS 14 -9.490 6.435 5.747 79 H ASP 15 H ASP 15 -10.254 6.128 9.187 80 HA ASP 15 HA ASP 15 -13.011 6.835 9.267 81 HB2 ASP 15 2HB ASP 15 -11.129 6.989 11.099 82 HB3 ASP 15 1HB ASP 15 -10.899 8.613 10.452 83 H ALA 16 H ALA 16 -14.118 8.311 8.077 84 HA ALA 16 HA ALA 16 -12.797 9.907 6.062 85 HB1 ALA 16 1HB ALA 16 -15.634 10.040 7.131 86 HB2 ALA 16 2HB ALA 16 -15.094 9.086 5.751 87 HB3 ALA 16 3HB ALA 16 -15.062 10.848 5.672 88 H ALA 17 H ALA 17 -14.375 10.690 9.168 89 HA ALA 17 HA ALA 17 -14.054 13.492 9.097 90 HB1 ALA 17 1HB ALA 17 -15.311 12.698 10.915 91 HB2 ALA 17 2HB ALA 17 -13.798 13.183 11.682 92 HB3 ALA 17 3HB ALA 17 -14.106 11.480 11.339 93 H THR 18 H THR 18 -11.822 11.081 10.529 94 HA THR 18 HA THR 18 -9.716 13.098 10.799 95 HB THR 18 HB THR 18 -8.512 11.458 11.945 96 HG1 THR 18 1HG THR 18 -8.228 9.848 10.577 97 HG21 THR 18 3HG2 THR 18 -11.028 11.798 12.713 98 HG22 THR 18 1HG2 THR 18 -10.000 10.598 13.496 99 HG23 THR 18 2HG2 THR 18 -11.157 10.098 12.262 100 H CYS 19 H CYS 19 -10.809 10.937 8.364 101 HA CYS 19 HA CYS 19 -10.004 10.529 6.199 102 HB2 CYS 19 2HB CYS 19 -9.614 12.978 6.173 103 HB3 CYS 19 1HB CYS 19 -8.028 12.723 6.897 104 H LYS 20 H LYS 20 -8.769 9.333 8.757 105 HA LYS 20 HA LYS 20 -6.365 8.215 7.372 106 HB2 LYS 20 2HB LYS 20 -6.588 9.027 10.284 107 HB3 LYS 20 1HB LYS 20 -5.253 8.087 9.619 108 HG2 LYS 20 2HG LYS 20 -5.589 10.322 7.912 109 HG3 LYS 20 1HG LYS 20 -5.650 10.941 9.562 110 HD2 LYS 20 2HD LYS 20 -3.539 8.928 8.929 111 HD3 LYS 20 1HD LYS 20 -3.325 10.560 8.294 112 HE2 LYS 20 2HE LYS 20 -2.583 11.198 10.321 113 HE3 LYS 20 1HE LYS 20 -4.192 10.870 10.966 114 HZ1 LYS 20 3HZ LYS 20 -3.133 9.351 12.194 115 HZ2 LYS 20 1HZ LYS 20 -1.767 9.323 11.190 116 HZ3 LYS 20 2HZ LYS 20 -3.138 8.404 10.784 117 H LEU 21 H LEU 21 -5.676 6.217 9.079 118 HA LEU 21 HA LEU 21 -7.781 4.285 8.688 119 HB2 LEU 21 2HB LEU 21 -5.125 4.258 10.110 120 HB3 LEU 21 1HB LEU 21 -6.231 2.891 10.258 121 HG LEU 21 HG LEU 21 -5.966 3.782 7.493 122 HD11 LEU 21 1HD1 LEU 21 -3.615 4.070 8.872 123 HD12 LEU 21 2HD1 LEU 21 -3.717 3.683 7.154 124 HD13 LEU 21 3HD1 LEU 21 -3.502 2.393 8.337 125 HD21 LEU 21 3HD2 LEU 21 -6.539 1.457 8.935 126 HD22 LEU 21 1HD2 LEU 21 -4.982 1.122 8.179 127 HD23 LEU 21 2HD2 LEU 21 -6.365 1.577 7.184 128 H ARG 22 H ARG 22 -9.449 3.763 10.042 129 HA ARG 22 HA ARG 22 -9.669 5.232 12.583 130 HB2 ARG 22 2HB ARG 22 -11.537 4.639 10.751 131 HB3 ARG 22 1HB ARG 22 -11.734 3.237 11.802 132 HG2 ARG 22 2HG ARG 22 -11.591 6.009 12.968 133 HG3 ARG 22 1HG ARG 22 -13.114 5.375 12.340 134 HD2 ARG 22 2HD ARG 22 -12.195 3.267 13.853 135 HD3 ARG 22 1HD ARG 22 -11.655 4.657 14.794 136 HE ARG 22 HE ARG 22 -13.980 5.345 15.017 137 HH11 ARG 22 1HH1 ARG 22 -13.719 2.219 15.431 138 HH12 ARG 22 2HH1 ARG 22 -15.212 1.723 14.709 139 HH21 ARG 22 1HH2 ARG 22 -15.797 4.782 13.184 140 HH22 ARG 22 2HH2 ARG 22 -16.390 3.175 13.437 141 HA PRO 23 HA PRO 23 -9.743 0.762 14.238 142 HB2 PRO 23 2HB PRO 23 -9.140 -1.267 12.487 143 HB3 PRO 23 1HB PRO 23 -10.786 -0.665 12.755 144 HG2 PRO 23 2HG PRO 23 -8.994 -0.238 10.418 145 HG3 PRO 23 1HG PRO 23 -10.761 -0.173 10.502 146 HD2 PRO 23 2HD PRO 23 -8.983 2.049 10.456 147 HD3 PRO 23 1HD PRO 23 -10.730 2.101 10.770 148 H GLY 24 H GLY 24 -7.918 -1.350 13.952 149 HA2 GLY 24 2HA GLY 24 -5.366 0.071 14.380 150 HA3 GLY 24 1HA GLY 24 -5.679 -1.627 14.745 151 H ALA 25 H ALA 25 -6.746 -0.517 11.669 152 HA ALA 25 HA ALA 25 -5.068 -2.374 10.257 153 HB1 ALA 25 1HB ALA 25 -7.145 -0.393 9.596 154 HB2 ALA 25 2HB ALA 25 -6.853 -1.989 8.906 155 HB3 ALA 25 3HB ALA 25 -5.927 -0.600 8.337 156 H GLN 26 H GLN 26 -3.165 -2.011 9.110 157 HA GLN 26 HA GLN 26 -1.635 0.372 9.865 158 HB2 GLN 26 2HB GLN 26 -1.084 -2.263 8.648 159 HB3 GLN 26 1HB GLN 26 -0.078 -0.945 8.042 160 HG2 GLN 26 2HG GLN 26 1.092 -1.763 9.935 161 HG3 GLN 26 1HG GLN 26 0.268 -0.311 10.502 162 HE21 GLN 26 1HE2 GLN 26 0.594 -3.713 11.010 163 HE22 GLN 26 2HE2 GLN 26 -0.649 -3.880 12.155 164 H CYS 27 H CYS 27 -3.555 -0.683 7.211 165 HA CYS 27 HA CYS 27 -3.108 1.879 5.852 166 HB2 CYS 27 2HB CYS 27 -1.435 0.950 4.587 167 HB3 CYS 27 1HB CYS 27 -1.969 -0.695 4.899 168 H GLY 28 H GLY 28 -4.979 2.515 4.837 169 HA2 GLY 28 2HA GLY 28 -7.287 0.680 4.981 170 HA3 GLY 28 1HA GLY 28 -7.360 2.398 4.607 171 H GLU 29 H GLU 29 -5.149 2.145 2.675 172 HA GLU 29 HA GLU 29 -6.277 0.382 0.597 173 HB2 GLU 29 2HB GLU 29 -6.576 2.185 -0.979 174 HB3 GLU 29 1HB GLU 29 -7.499 2.561 0.466 175 HG2 GLU 29 2HG GLU 29 -6.334 4.455 0.777 176 HG3 GLU 29 1HG GLU 29 -4.815 3.559 0.759 177 H GLY 30 H GLY 30 -4.713 -0.164 -0.983 178 HA2 GLY 30 2HA GLY 30 -2.374 1.095 -1.711 179 HA3 GLY 30 1HA GLY 30 -1.941 0.313 -0.190 180 H LEU 31 H LEU 31 -0.531 -0.620 -2.235 181 HA LEU 31 HA LEU 31 -1.897 -2.845 -3.582 182 HB2 LEU 31 2HB LEU 31 0.929 -1.785 -3.582 183 HB3 LEU 31 1HB LEU 31 0.529 -3.322 -4.347 184 HG LEU 31 HG LEU 31 -1.450 -1.647 -5.295 185 HD11 LEU 31 1HD1 LEU 31 -0.017 0.217 -4.222 186 HD12 LEU 31 2HD1 LEU 31 -0.502 0.434 -5.903 187 HD13 LEU 31 3HD1 LEU 31 1.133 -0.104 -5.520 188 HD21 LEU 31 3HD2 LEU 31 0.977 -2.958 -6.275 189 HD22 LEU 31 1HD2 LEU 31 0.558 -1.526 -7.214 190 HD23 LEU 31 2HD2 LEU 31 -0.611 -2.833 -7.032 191 H CYS 32 H CYS 32 0.707 -2.487 -1.167 192 HA CYS 32 HA CYS 32 0.580 -5.389 -0.609 193 HB2 CYS 32 2HB CYS 32 2.302 -3.380 0.838 194 HB3 CYS 32 1HB CYS 32 2.596 -5.100 0.588 195 H CYS 33 H CYS 33 -1.772 -3.943 0.049 196 HA CYS 33 HA CYS 33 -1.622 -3.794 3.023 197 HB2 CYS 33 2HB CYS 33 -3.668 -2.676 1.090 198 HB3 CYS 33 1HB CYS 33 -3.783 -2.556 2.843 199 H GLU 34 H GLU 34 -1.834 -6.032 3.452 200 HA GLU 34 HA GLU 34 -4.161 -7.468 2.326 201 HB2 GLU 34 2HB GLU 34 -1.945 -8.609 2.517 202 HB3 GLU 34 1HB GLU 34 -2.033 -8.429 4.269 203 HG2 GLU 34 2HG GLU 34 -4.224 -9.683 4.205 204 HG3 GLU 34 1HG GLU 34 -3.914 -10.009 2.499 205 H GLN 35 H GLN 35 -6.066 -7.154 3.366 206 HA GLN 35 HA GLN 35 -7.599 -7.007 5.134 207 HB2 GLN 35 2HB GLN 35 -5.722 -8.790 6.035 208 HB3 GLN 35 1HB GLN 35 -5.625 -7.531 7.266 209 HG2 GLN 35 2HG GLN 35 -7.322 -8.948 8.078 210 HG3 GLN 35 1HG GLN 35 -8.219 -7.653 7.285 211 HE21 GLN 35 1HE2 GLN 35 -6.808 -10.885 6.502 212 HE22 GLN 35 2HE2 GLN 35 -8.051 -11.328 5.435 213 H CYS 36 H CYS 36 -6.089 -4.734 4.215 214 HA CYS 36 HA CYS 36 -5.730 -2.501 4.823 215 HB2 CYS 36 2HB CYS 36 -7.345 -3.462 7.195 216 HB3 CYS 36 1HB CYS 36 -6.787 -1.794 7.036 217 H LYS 37 H LYS 37 -3.910 -4.791 5.662 218 HA LYS 37 HA LYS 37 -2.407 -3.267 7.754 219 HB2 LYS 37 2HB LYS 37 -3.089 -6.163 7.556 220 HB3 LYS 37 1HB LYS 37 -1.472 -5.762 8.135 221 HG2 LYS 37 2HG LYS 37 -2.933 -3.997 9.582 222 HG3 LYS 37 1HG LYS 37 -4.109 -5.303 9.417 223 HD2 LYS 37 2HD LYS 37 -1.811 -6.689 10.011 224 HD3 LYS 37 1HD LYS 37 -1.603 -5.220 10.965 225 HE2 LYS 37 2HE LYS 37 -4.322 -6.357 11.074 226 HE3 LYS 37 1HE LYS 37 -3.074 -7.392 11.769 227 HZ1 LYS 37 3HZ LYS 37 -2.455 -4.898 12.676 228 HZ2 LYS 37 1HZ LYS 37 -3.237 -6.114 13.563 229 HZ3 LYS 37 2HZ LYS 37 -4.152 -4.933 12.753 230 H PHE 38 H PHE 38 0.016 -3.865 7.644 231 HA PHE 38 HA PHE 38 0.890 -3.541 4.877 232 HB2 PHE 38 2HB PHE 38 2.355 -3.785 7.512 233 HB3 PHE 38 1HB PHE 38 3.203 -3.674 5.970 234 HD1 PHE 38 2HD PHE 38 1.782 -1.793 4.380 235 HD2 PHE 38 1HD PHE 38 2.425 -1.733 8.627 236 HE1 PHE 38 2HE PHE 38 1.497 0.671 4.391 237 HE2 PHE 38 1HE PHE 38 2.139 0.730 8.635 238 HZ PHE 38 HZ PHE 38 1.675 1.933 6.516 239 H SER 39 H SER 39 1.229 -5.229 3.521 240 HA SER 39 HA SER 39 1.089 -7.961 4.326 241 HB2 SER 39 2HB SER 39 2.606 -7.049 1.884 242 HB3 SER 39 1HB SER 39 1.627 -8.500 2.090 243 HG SER 39 HG SER 39 0.666 -6.680 0.885 244 H ARG 40 H ARG 40 3.346 -9.195 3.179 245 HA ARG 40 HA ARG 40 5.387 -8.499 5.228 246 HB2 ARG 40 2HB ARG 40 4.739 -10.968 3.637 247 HB3 ARG 40 1HB ARG 40 6.361 -10.766 4.297 248 HG2 ARG 40 2HG ARG 40 3.764 -10.722 5.863 249 HG3 ARG 40 1HG ARG 40 4.986 -11.993 5.898 250 HD2 ARG 40 2HD ARG 40 5.209 -9.166 6.944 251 HD3 ARG 40 1HD ARG 40 5.421 -10.676 7.828 252 HE ARG 40 HE ARG 40 7.333 -9.958 5.655 253 HH11 ARG 40 1HH2 ARG 40 7.907 -8.552 8.222 254 HH12 ARG 40 2HH2 ARG 40 8.955 -9.669 9.029 255 HH21 ARG 40 1HH1 ARG 40 8.114 -12.343 6.988 256 HH22 ARG 40 2HH1 ARG 40 9.073 -11.815 8.331 257 H ALA 41 H ALA 41 7.700 -8.536 4.517 258 HA ALA 41 HA ALA 41 8.060 -6.929 2.143 259 HB1 ALA 41 1HB ALA 41 9.535 -7.198 4.358 260 HB2 ALA 41 2HB ALA 41 10.259 -6.708 2.827 261 HB3 ALA 41 3HB ALA 41 10.371 -8.386 3.358 262 H GLY 42 H GLY 42 9.552 -7.617 0.333 263 HA2 GLY 42 2HA GLY 42 10.230 -9.190 -1.301 264 HA3 GLY 42 1HA GLY 42 9.873 -10.472 -0.145 265 H LYS 43 H LYS 43 7.480 -8.021 -0.854 266 HA LYS 43 HA LYS 43 5.795 -10.160 -2.083 267 HB2 LYS 43 2HB LYS 43 4.651 -9.199 -0.258 268 HB3 LYS 43 1HB LYS 43 5.175 -7.571 -0.670 269 HG2 LYS 43 2HG LYS 43 2.908 -7.631 -1.349 270 HG3 LYS 43 1HG LYS 43 3.793 -7.884 -2.845 271 HD2 LYS 43 2HD LYS 43 3.284 -10.168 -2.918 272 HD3 LYS 43 1HD LYS 43 2.961 -10.247 -1.185 273 HE2 LYS 43 2HE LYS 43 1.081 -8.437 -1.949 274 HE3 LYS 43 1HE LYS 43 1.174 -9.431 -3.402 275 HZ1 LYS 43 3HZ LYS 43 -0.336 -10.602 -2.180 276 HZ2 LYS 43 1HZ LYS 43 0.349 -10.173 -0.689 277 HZ3 LYS 43 2HZ LYS 43 1.095 -11.354 -1.657 278 H ILE 44 H ILE 44 5.708 -10.160 -4.260 279 HA ILE 44 HA ILE 44 6.631 -8.015 -5.920 280 HB ILE 44 HB ILE 44 6.535 -10.324 -6.735 281 HG12 ILE 44 2HG1 ILE 44 5.258 -9.884 -8.883 282 HG13 ILE 44 1HG1 ILE 44 4.713 -8.367 -8.165 283 HG21 ILE 44 1HG2 ILE 44 4.733 -11.611 -6.345 284 HG22 ILE 44 2HG2 ILE 44 3.719 -10.518 -7.287 285 HG23 ILE 44 3HG2 ILE 44 3.953 -10.237 -5.562 286 HD11 ILE 44 3HD1 ILE 44 7.030 -8.657 -9.606 287 HD12 ILE 44 1HD1 ILE 44 7.614 -8.827 -7.951 288 HD13 ILE 44 2HD1 ILE 44 6.738 -7.374 -8.431 289 H CYS 45 H CYS 45 5.584 -6.076 -5.478 290 HA CYS 45 HA CYS 45 2.630 -5.976 -5.444 291 HB2 CYS 45 2HB CYS 45 3.055 -3.507 -5.057 292 HB3 CYS 45 1HB CYS 45 3.702 -4.576 -3.818 293 H ARG 46 H ARG 46 5.215 -5.537 -7.682 294 HA ARG 46 HA ARG 46 3.271 -4.829 -9.770 295 HB2 ARG 46 2HB ARG 46 4.736 -2.784 -8.443 296 HB3 ARG 46 1HB ARG 46 5.423 -2.954 -10.058 297 HG2 ARG 46 2HG ARG 46 3.164 -2.766 -11.041 298 HG3 ARG 46 1HG ARG 46 2.478 -2.588 -9.426 299 HD2 ARG 46 2HD ARG 46 4.482 -0.684 -9.445 300 HD3 ARG 46 1HD ARG 46 3.858 -0.607 -11.092 301 HE ARG 46 HE ARG 46 2.433 0.213 -8.684 302 HH11 ARG 46 1HH1 ARG 46 2.133 1.670 -11.231 303 HH12 ARG 46 2HH1 ARG 46 0.582 1.147 -11.799 304 HH21 ARG 46 1HH2 ARG 46 0.451 -1.613 -9.701 305 HH22 ARG 46 2HH2 ARG 46 -0.372 -0.713 -10.931 306 H ILE 47 H ILE 47 4.206 -4.944 -11.920 307 HA ILE 47 HA ILE 47 6.594 -6.727 -12.004 308 HB ILE 47 HB ILE 47 4.394 -7.461 -13.043 309 HG12 ILE 47 2HG1 ILE 47 6.307 -7.224 -15.306 310 HG13 ILE 47 1HG1 ILE 47 6.937 -7.951 -13.826 311 HG21 ILE 47 1HG2 ILE 47 4.791 -5.948 -15.483 312 HG22 ILE 47 2HG2 ILE 47 4.512 -4.865 -14.120 313 HG23 ILE 47 3HG2 ILE 47 3.332 -6.118 -14.506 314 HD11 ILE 47 3HD1 ILE 47 4.994 -9.514 -13.812 315 HD12 ILE 47 1HD1 ILE 47 6.003 -9.701 -15.246 316 HD13 ILE 47 2HD1 ILE 47 4.472 -8.834 -15.353 317 H ALA 48 H ALA 48 7.894 -6.339 -14.187 318 HA ALA 48 HA ALA 48 8.187 -3.386 -14.520 319 HB1 ALA 48 1HB ALA 48 10.237 -3.762 -13.609 320 HB2 ALA 48 2HB ALA 48 10.638 -4.345 -15.224 321 HB3 ALA 48 3HB ALA 48 10.178 -5.488 -13.963 322 H ARG 49 H ARG 49 9.658 -3.039 -16.604 323 HA ARG 49 HA ARG 49 8.742 -4.825 -18.799 324 HB2 ARG 49 2HB ARG 49 8.647 -1.809 -19.048 325 HB3 ARG 49 1HB ARG 49 7.948 -3.010 -20.132 326 HG2 ARG 49 2HG ARG 49 7.059 -2.925 -17.266 327 HG3 ARG 49 1HG ARG 49 6.399 -1.759 -18.412 328 HD2 ARG 49 2HD ARG 49 5.875 -3.747 -19.928 329 HD3 ARG 49 1HD ARG 49 6.242 -4.775 -18.542 330 HE ARG 49 HE ARG 49 4.417 -3.199 -17.405 331 HH11 ARG 49 1HH2 ARG 49 3.536 -5.791 -18.667 332 HH12 ARG 49 2HH2 ARG 49 2.257 -5.260 -19.708 333 HH21 ARG 49 1HH1 ARG 49 3.190 -1.923 -19.588 334 HH22 ARG 49 2HH1 ARG 49 2.062 -3.069 -20.230 335 H GLY 50 H GLY 50 10.373 -5.050 -20.389 336 HA2 GLY 50 2HA GLY 50 12.548 -4.848 -21.286 337 HA3 GLY 50 1HA GLY 50 12.477 -3.165 -20.768 338 H ASP 51 H ASP 51 13.649 -2.564 -18.983 339 HA ASP 51 HA ASP 51 15.537 -4.352 -17.788 340 HB2 ASP 51 2HB ASP 51 14.338 -1.717 -16.959 341 HB3 ASP 51 1HB ASP 51 15.446 -2.573 -15.892 342 H TRP 52 H TRP 52 14.905 -6.101 -16.535 343 HA TRP 52 HA TRP 52 12.303 -5.764 -15.159 344 HB2 TRP 52 2HB TRP 52 13.637 -8.064 -16.470 345 HB3 TRP 52 1HB TRP 52 12.551 -8.394 -15.113 346 HD1 TRP 52 HD TRP 52 10.198 -6.766 -15.300 347 HE1 TRP 52 1HE TRP 52 8.644 -6.590 -17.334 348 HE3 TRP 52 3HE TRP 52 13.417 -8.195 -18.969 349 HZ2 TRP 52 2HZ TRP 52 8.748 -6.949 -20.129 350 HZ3 TRP 52 3HZ TRP 52 12.663 -8.264 -21.336 351 HH2 TRP 52 HH TRP 52 10.332 -7.638 -21.923 352 H ASN 53 H ASN 53 12.518 -5.188 -13.184 353 HA ASN 53 HA ASN 53 14.138 -6.836 -11.327 354 HB2 ASN 53 2HB ASN 53 14.314 -3.864 -11.752 355 HB3 ASN 53 1HB ASN 53 14.469 -4.490 -10.110 356 HD21 ASN 53 1HD2 ASN 53 16.579 -3.290 -11.949 357 HD22 ASN 53 2HD2 ASN 53 17.803 -4.464 -12.023 358 H ASP 54 H ASP 54 11.840 -7.634 -11.255 359 HA ASP 54 HA ASP 54 9.524 -6.373 -10.623 360 HB2 ASP 54 2HB ASP 54 9.106 -8.323 -8.964 361 HB3 ASP 54 1HB ASP 54 9.442 -8.729 -10.646 362 H ASP 55 H ASP 55 8.566 -5.357 -8.888 363 HA ASP 55 HA ASP 55 10.385 -4.365 -6.790 364 HB2 ASP 55 2HB ASP 55 8.405 -3.129 -8.171 365 HB3 ASP 55 1HB ASP 55 7.506 -3.641 -6.742 366 H ARG 56 H ARG 56 10.040 -4.769 -4.560 367 HA ARG 56 HA ARG 56 7.988 -6.849 -3.935 368 HB2 ARG 56 2HB ARG 56 10.847 -6.735 -2.934 369 HB3 ARG 56 1HB ARG 56 9.623 -7.885 -2.396 370 HG2 ARG 56 2HG ARG 56 10.290 -7.604 -5.320 371 HG3 ARG 56 1HG ARG 56 11.258 -8.637 -4.268 372 HD2 ARG 56 2HD ARG 56 9.279 -9.923 -3.644 373 HD3 ARG 56 1HD ARG 56 8.250 -8.849 -4.591 374 HE ARG 56 HE ARG 56 8.831 -10.152 -6.455 375 HH11 ARG 56 1HH2 ARG 56 11.753 -9.139 -6.003 376 HH12 ARG 56 2HH2 ARG 56 12.600 -10.649 -6.063 377 HH21 ARG 56 1HH1 ARG 56 9.736 -12.573 -5.716 378 HH22 ARG 56 2HH1 ARG 56 11.459 -12.592 -5.900 379 H CYS 57 H CYS 57 6.637 -6.125 -2.356 380 HA CYS 57 HA CYS 57 6.853 -3.657 -1.043 381 HB2 CYS 57 2HB CYS 57 5.671 -6.088 0.314 382 HB3 CYS 57 1HB CYS 57 5.170 -4.407 0.468 383 H THR 58 H THR 58 7.689 -3.052 1.010 384 HA THR 58 HA THR 58 10.018 -4.649 1.849 385 HB THR 58 HB THR 58 10.702 -2.730 3.065 386 HG1 THR 58 1HG THR 58 9.258 -1.698 4.151 387 HG21 THR 58 3HG2 THR 58 10.162 -0.810 1.449 388 HG22 THR 58 1HG2 THR 58 9.194 -1.985 0.559 389 HG23 THR 58 2HG2 THR 58 10.928 -2.239 0.756 390 H GLY 59 H GLY 59 6.870 -4.972 2.493 391 HA2 GLY 59 2HA GLY 59 5.923 -6.350 4.195 392 HA3 GLY 59 1HA GLY 59 7.406 -6.170 5.132 393 H GLN 60 H GLN 60 7.102 -3.137 4.484 394 HA GLN 60 HA GLN 60 4.968 -2.580 6.502 395 HB2 GLN 60 2HB GLN 60 7.548 -1.017 6.305 396 HB3 GLN 60 1HB GLN 60 6.361 -0.999 7.610 397 HG2 GLN 60 2HG GLN 60 7.380 -3.686 7.087 398 HG3 GLN 60 1HG GLN 60 8.664 -2.560 7.527 399 HE21 GLN 60 1HE2 GLN 60 8.662 -4.005 9.578 400 HE22 GLN 60 2HE2 GLN 60 7.591 -3.577 10.823 401 H SER 61 H SER 61 5.934 -2.140 3.374 402 HA SER 61 HA SER 61 4.953 0.661 3.197 403 HB2 SER 61 2HB SER 61 6.026 -1.073 0.962 404 HB3 SER 61 1HB SER 61 5.849 0.679 0.969 405 HG SER 61 HG SER 61 8.006 -0.365 1.475 406 H ALA 62 H ALA 62 2.840 0.991 2.716 407 HA ALA 62 HA ALA 62 1.161 -1.250 1.852 408 HB1 ALA 62 1HB ALA 62 -0.518 0.841 1.719 409 HB2 ALA 62 2HB ALA 62 0.717 1.558 2.754 410 HB3 ALA 62 3HB ALA 62 -0.100 0.076 3.252 411 H ASP 63 H ASP 63 2.338 1.812 0.483 412 HA ASP 63 HA ASP 63 1.029 1.257 -2.092 413 HB2 ASP 63 2HB ASP 63 3.054 3.412 -1.421 414 HB3 ASP 63 1HB ASP 63 1.953 3.382 -2.798 415 H CYS 64 H CYS 64 2.358 1.128 -4.101 416 HA CYS 64 HA CYS 64 5.022 -0.131 -3.571 417 HB2 CYS 64 2HB CYS 64 3.465 -1.870 -4.238 418 HB3 CYS 64 1HB CYS 64 2.918 -0.913 -5.612 419 HA PRO 65 HA PRO 65 6.421 2.978 -6.347 420 HB2 PRO 65 2HB PRO 65 9.021 2.133 -6.321 421 HB3 PRO 65 1HB PRO 65 8.307 3.089 -5.024 422 HG2 PRO 65 2HG PRO 65 9.045 0.211 -5.072 423 HG3 PRO 65 1HG PRO 65 8.855 1.297 -3.685 424 HD2 PRO 65 2HD PRO 65 6.984 -0.644 -4.575 425 HD3 PRO 65 1HD PRO 65 6.706 0.614 -3.352 426 H ARG 66 H ARG 66 7.534 3.015 -8.518 427 HA ARG 66 HA ARG 66 7.779 0.388 -9.864 428 HB2 ARG 66 2HB ARG 66 6.397 1.640 -11.801 429 HB3 ARG 66 1HB ARG 66 5.610 0.638 -10.583 430 HG2 ARG 66 2HG ARG 66 4.434 2.768 -10.741 431 HG3 ARG 66 1HG ARG 66 5.266 2.683 -9.187 432 HD2 ARG 66 2HD ARG 66 7.186 3.938 -10.243 433 HD3 ARG 66 1HD ARG 66 6.167 4.177 -11.663 434 HE ARG 66 HE ARG 66 5.638 5.335 -8.966 435 HH11 ARG 66 1HH2 ARG 66 6.332 6.994 -11.401 436 HH12 ARG 66 2HH2 ARG 66 4.769 7.550 -11.898 437 HH21 ARG 66 1HH1 ARG 66 3.043 5.216 -10.006 438 HH22 ARG 66 2HH1 ARG 66 2.908 6.543 -11.110 439 H TYR 67 H TYR 67 8.264 1.066 -12.393 440 HA TYR 67 HA TYR 67 9.932 3.482 -12.548 441 HB2 TYR 67 2HB TYR 67 11.215 0.773 -12.979 442 HB3 TYR 67 1HB TYR 67 12.008 2.349 -12.983 443 HD1 TYR 67 1HD TYR 67 10.403 -0.225 -10.871 444 HD2 TYR 67 2HD TYR 67 12.526 3.510 -10.918 445 HE1 TYR 67 1HE TYR 67 10.779 -0.407 -8.427 446 HE2 TYR 67 2HE TYR 67 12.899 3.327 -8.474 447 HH TYR 67 HH TYR 67 12.640 2.076 -6.665 448 H HIS 68 H HIS 68 9.565 0.326 -14.208 449 HA HIS 68 HA HIS 68 9.617 1.653 -16.821 450 HB2 HIS 68 2HB HIS 68 8.756 -1.192 -16.553 451 HB3 HIS 68 1HB HIS 68 9.860 -0.460 -17.715 452 HD1 HIS 68 1HD HIS 68 12.342 -0.156 -16.989 453 HD2 HIS 68 2HD HIS 68 9.962 -1.992 -14.102 454 HE1 HIS 68 1HE HIS 68 13.924 -1.094 -15.248 Start of MODEL 5 1 H GLY 1 1HT GLY 1 3.986 10.529 7.964 2 HA2 GLY 1 1HA GLY 1 4.698 12.801 6.696 3 HA3 GLY 1 2HA GLY 1 3.920 11.415 5.933 4 H LYS 2 H LYS 2 1.683 11.535 5.454 5 HA LYS 2 HA LYS 2 0.614 14.300 5.407 6 HB2 LYS 2 2HB LYS 2 0.440 12.023 3.676 7 HB3 LYS 2 1HB LYS 2 -1.189 12.437 4.212 8 HG2 LYS 2 2HG LYS 2 -0.992 14.676 3.408 9 HG3 LYS 2 1HG LYS 2 0.748 14.513 3.173 10 HD2 LYS 2 2HD LYS 2 -0.005 12.517 1.585 11 HD3 LYS 2 1HD LYS 2 -1.497 13.456 1.504 12 HE2 LYS 2 2HE LYS 2 0.737 15.242 1.252 13 HE3 LYS 2 1HE LYS 2 0.931 13.922 0.098 14 HZ1 LYS 2 3HZ LYS 2 -1.600 14.396 -0.296 15 HZ2 LYS 2 1HZ LYS 2 -0.408 15.310 -1.085 16 HZ3 LYS 2 2HZ LYS 2 -1.186 15.937 0.289 17 H GLU 3 H GLU 3 -1.955 14.245 5.676 18 HA GLU 3 HA GLU 3 -2.445 12.949 8.317 19 HB2 GLU 3 2HB GLU 3 -3.114 15.536 7.156 20 HB3 GLU 3 1HB GLU 3 -4.545 14.718 7.785 21 HG2 GLU 3 2HG GLU 3 -3.531 14.457 9.957 22 HG3 GLU 3 1HG GLU 3 -1.973 15.026 9.357 23 H CYS 4 H CYS 4 -2.801 11.985 5.339 24 HA CYS 4 HA CYS 4 -5.466 10.782 5.886 25 HB2 CYS 4 2HB CYS 4 -5.877 12.529 4.240 26 HB3 CYS 4 1HB CYS 4 -4.549 11.940 3.240 27 H ASP 5 H ASP 5 -5.457 8.594 5.605 28 HA ASP 5 HA ASP 5 -3.002 7.396 4.406 29 HB2 ASP 5 2HB ASP 5 -3.533 6.839 6.787 30 HB3 ASP 5 1HB ASP 5 -5.048 6.116 6.242 31 H CYS 6 H CYS 6 -6.465 7.625 4.081 32 HA CYS 6 HA CYS 6 -6.323 5.636 1.848 33 HB2 CYS 6 2HB CYS 6 -8.621 5.055 2.276 34 HB3 CYS 6 1HB CYS 6 -7.778 4.998 3.824 35 H SER 7 H SER 7 -6.942 6.373 -0.152 36 HA SER 7 HA SER 7 -7.535 9.231 -0.432 37 HB2 SER 7 2HB SER 7 -7.062 6.964 -2.364 38 HB3 SER 7 1HB SER 7 -7.666 8.520 -2.926 39 HG SER 7 HG SER 7 -5.215 7.957 -2.619 40 H SER 8 H SER 8 -9.354 6.415 0.035 41 HA SER 8 HA SER 8 -11.713 7.507 -1.402 42 HB2 SER 8 2HB SER 8 -10.888 4.829 -0.420 43 HB3 SER 8 1HB SER 8 -12.610 5.191 -0.330 44 HG SER 8 HG SER 8 -11.204 4.488 -2.447 45 HA PRO 9 HA PRO 9 -12.963 9.066 2.601 46 HB2 PRO 9 2HB PRO 9 -15.163 10.414 1.655 47 HB3 PRO 9 1HB PRO 9 -13.508 11.039 1.543 48 HG2 PRO 9 2HG PRO 9 -15.229 9.886 -0.601 49 HG3 PRO 9 1HG PRO 9 -13.897 11.047 -0.734 50 HD2 PRO 9 2HD PRO 9 -13.755 8.279 -1.324 51 HD3 PRO 9 1HD PRO 9 -12.375 9.383 -1.144 52 H GLU 10 H GLU 10 -14.344 6.667 0.752 53 HA GLU 10 HA GLU 10 -16.699 6.396 2.574 54 HB2 GLU 10 2HB GLU 10 -16.506 6.198 -0.231 55 HB3 GLU 10 1HB GLU 10 -16.704 4.543 0.349 56 HG2 GLU 10 2HG GLU 10 -18.846 4.908 0.981 57 HG3 GLU 10 1HG GLU 10 -18.447 6.455 1.728 58 H ASN 11 H ASN 11 -13.656 5.476 2.604 59 HA ASN 11 HA ASN 11 -14.024 2.574 2.938 60 HB2 ASN 11 2HB ASN 11 -11.909 4.029 2.079 61 HB3 ASN 11 1HB ASN 11 -11.492 3.876 3.786 62 HD21 ASN 11 1HD2 ASN 11 -10.853 2.405 0.939 63 HD22 ASN 11 2HD2 ASN 11 -10.704 0.792 1.448 64 HA PRO 12 HA PRO 12 -14.878 3.207 7.266 65 HB2 PRO 12 2HB PRO 12 -15.145 0.541 7.878 66 HB3 PRO 12 1HB PRO 12 -16.411 1.496 7.089 67 HG2 PRO 12 2HG PRO 12 -14.598 -0.555 5.908 68 HG3 PRO 12 1HG PRO 12 -16.211 -0.046 5.381 69 HD2 PRO 12 2HD PRO 12 -13.755 0.745 4.211 70 HD3 PRO 12 1HD PRO 12 -15.342 1.482 3.910 71 H CYS 13 H CYS 13 -12.230 1.428 5.911 72 HA CYS 13 HA CYS 13 -10.983 0.723 8.445 73 HB2 CYS 13 2HB CYS 13 -10.405 0.408 5.585 74 HB3 CYS 13 1HB CYS 13 -8.963 0.722 6.552 75 H CYS 14 H CYS 14 -11.400 3.642 6.837 76 HA CYS 14 HA CYS 14 -9.151 4.823 8.391 77 HB2 CYS 14 2HB CYS 14 -8.496 6.226 6.544 78 HB3 CYS 14 1HB CYS 14 -8.532 4.564 5.956 79 H ASP 15 H ASP 15 -9.669 6.736 9.389 80 HA ASP 15 HA ASP 15 -12.456 7.503 9.534 81 HB2 ASP 15 2HB ASP 15 -10.547 7.752 11.317 82 HB3 ASP 15 1HB ASP 15 -10.199 9.259 10.469 83 H ALA 16 H ALA 16 -13.503 8.955 8.253 84 HA ALA 16 HA ALA 16 -12.112 10.201 6.029 85 HB1 ALA 16 1HB ALA 16 -14.947 10.441 7.071 86 HB2 ALA 16 2HB ALA 16 -14.393 9.506 5.683 87 HB3 ALA 16 3HB ALA 16 -14.375 11.268 5.622 88 H ALA 17 H ALA 17 -13.396 11.319 9.140 89 HA ALA 17 HA ALA 17 -13.236 14.095 8.796 90 HB1 ALA 17 1HB ALA 17 -14.004 12.910 10.879 91 HB2 ALA 17 2HB ALA 17 -12.910 14.257 11.195 92 HB3 ALA 17 3HB ALA 17 -12.311 12.599 11.267 93 H THR 18 H THR 18 -10.604 11.944 9.934 94 HA THR 18 HA THR 18 -8.665 14.110 9.332 95 HB THR 18 HB THR 18 -8.515 12.867 11.507 96 HG1 THR 18 1HG THR 18 -6.542 13.479 11.218 97 HG21 THR 18 3HG2 THR 18 -8.425 10.609 11.607 98 HG22 THR 18 1HG2 THR 18 -7.277 10.513 10.273 99 HG23 THR 18 2HG2 THR 18 -9.004 10.646 9.942 100 H CYS 19 H CYS 19 -9.863 11.115 8.084 101 HA CYS 19 HA CYS 19 -9.486 10.193 5.938 102 HB2 CYS 19 2HB CYS 19 -8.632 12.648 5.469 103 HB3 CYS 19 1HB CYS 19 -7.042 11.891 5.556 104 H LYS 20 H LYS 20 -8.004 9.597 8.603 105 HA LYS 20 HA LYS 20 -5.822 7.977 7.331 106 HB2 LYS 20 2HB LYS 20 -5.890 9.202 10.104 107 HB3 LYS 20 1HB LYS 20 -4.643 8.097 9.526 108 HG2 LYS 20 2HG LYS 20 -4.678 9.956 7.514 109 HG3 LYS 20 1HG LYS 20 -5.047 10.957 8.919 110 HD2 LYS 20 2HD LYS 20 -2.729 10.987 8.990 111 HD3 LYS 20 1HD LYS 20 -3.060 9.588 10.011 112 HE2 LYS 20 2HE LYS 20 -2.844 8.136 7.963 113 HE3 LYS 20 1HE LYS 20 -2.307 9.564 7.077 114 HZ1 LYS 20 3HZ LYS 20 -1.013 8.438 9.501 115 HZ2 LYS 20 1HZ LYS 20 -0.501 9.822 8.665 116 HZ3 LYS 20 2HZ LYS 20 -0.432 8.302 7.911 117 H LEU 21 H LEU 21 -5.263 6.005 8.749 118 HA LEU 21 HA LEU 21 -7.474 4.273 8.943 119 HB2 LEU 21 2HB LEU 21 -4.715 4.244 10.128 120 HB3 LEU 21 1HB LEU 21 -5.879 3.002 10.591 121 HG LEU 21 HG LEU 21 -6.146 3.129 7.832 122 HD11 LEU 21 1HD1 LEU 21 -3.189 3.081 8.441 123 HD12 LEU 21 2HD1 LEU 21 -4.015 4.559 7.942 124 HD13 LEU 21 3HD1 LEU 21 -3.976 3.162 6.865 125 HD21 LEU 21 3HD2 LEU 21 -5.660 1.239 9.752 126 HD22 LEU 21 1HD2 LEU 21 -4.151 1.198 8.840 127 HD23 LEU 21 2HD2 LEU 21 -5.685 0.907 8.021 128 H ARG 22 H ARG 22 -9.111 4.151 10.403 129 HA ARG 22 HA ARG 22 -8.950 5.817 12.834 130 HB2 ARG 22 2HB ARG 22 -10.988 5.467 11.150 131 HB3 ARG 22 1HB ARG 22 -11.345 4.138 12.253 132 HG2 ARG 22 2HG ARG 22 -10.625 6.449 13.796 133 HG3 ARG 22 1HG ARG 22 -11.882 6.900 12.642 134 HD2 ARG 22 2HD ARG 22 -13.239 4.959 13.389 135 HD3 ARG 22 1HD ARG 22 -11.999 4.572 14.582 136 HE ARG 22 HE ARG 22 -12.509 6.974 15.462 137 HH11 ARG 22 1HH1 ARG 22 -14.755 7.306 13.432 138 HH12 ARG 22 2HH1 ARG 22 -16.140 6.912 14.395 139 HH21 ARG 22 1HH2 ARG 22 -14.291 5.409 16.915 140 HH22 ARG 22 2HH2 ARG 22 -15.877 5.838 16.366 141 HA PRO 23 HA PRO 23 -9.672 1.530 14.797 142 HB2 PRO 23 2HB PRO 23 -9.445 -0.678 13.177 143 HB3 PRO 23 1HB PRO 23 -10.967 0.183 13.455 144 HG2 PRO 23 2HG PRO 23 -9.234 0.179 11.038 145 HG3 PRO 23 1HG PRO 23 -10.966 0.523 11.176 146 HD2 PRO 23 2HD PRO 23 -8.876 2.435 10.916 147 HD3 PRO 23 1HD PRO 23 -10.579 2.777 11.286 148 H GLY 24 H GLY 24 -8.203 -0.852 14.637 149 HA2 GLY 24 2HA GLY 24 -5.461 0.190 14.947 150 HA3 GLY 24 1HA GLY 24 -6.024 -1.407 15.438 151 H ALA 25 H ALA 25 -6.711 -0.150 12.239 152 HA ALA 25 HA ALA 25 -5.319 -2.435 11.048 153 HB1 ALA 25 1HB ALA 25 -6.071 -1.249 8.878 154 HB2 ALA 25 2HB ALA 25 -6.939 -0.139 9.939 155 HB3 ALA 25 3HB ALA 25 -7.338 -1.857 9.946 156 H GLN 26 H GLN 26 -3.445 -2.314 9.733 157 HA GLN 26 HA GLN 26 -1.683 -0.048 10.341 158 HB2 GLN 26 2HB GLN 26 -1.358 -2.786 9.544 159 HB3 GLN 26 1HB GLN 26 -0.532 -1.761 8.371 160 HG2 GLN 26 2HG GLN 26 1.077 -1.189 9.851 161 HG3 GLN 26 1HG GLN 26 -0.102 -0.875 11.125 162 HE21 GLN 26 1HE2 GLN 26 1.559 -2.038 12.543 163 HE22 GLN 26 2HE2 GLN 26 1.521 -3.734 12.589 164 H CYS 27 H CYS 27 -3.817 -1.009 7.820 165 HA CYS 27 HA CYS 27 -3.255 1.459 6.356 166 HB2 CYS 27 2HB CYS 27 -2.822 0.267 4.196 167 HB3 CYS 27 1HB CYS 27 -1.533 0.036 5.376 168 H GLY 28 H GLY 28 -5.002 1.990 4.956 169 HA2 GLY 28 2HA GLY 28 -7.424 0.321 5.377 170 HA3 GLY 28 1HA GLY 28 -7.423 2.003 4.852 171 H GLU 29 H GLU 29 -5.360 1.657 2.871 172 HA GLU 29 HA GLU 29 -6.464 -0.347 1.005 173 HB2 GLU 29 2HB GLU 29 -6.972 1.263 -0.696 174 HB3 GLU 29 1HB GLU 29 -7.788 1.789 0.769 175 HG2 GLU 29 2HG GLU 29 -6.775 3.782 0.402 176 HG3 GLU 29 1HG GLU 29 -5.327 2.988 1.023 177 H GLY 30 H GLY 30 -5.019 -0.715 -0.821 178 HA2 GLY 30 2HA GLY 30 -2.711 0.595 -1.548 179 HA3 GLY 30 1HA GLY 30 -2.220 -0.291 -0.105 180 H LEU 31 H LEU 31 -0.885 -1.087 -2.236 181 HA LEU 31 HA LEU 31 -2.294 -3.186 -3.720 182 HB2 LEU 31 2HB LEU 31 0.329 -1.856 -3.828 183 HB3 LEU 31 1HB LEU 31 0.381 -3.575 -4.214 184 HG LEU 31 HG LEU 31 -1.483 -1.554 -5.490 185 HD11 LEU 31 1HD1 LEU 31 0.647 -1.110 -6.394 186 HD12 LEU 31 2HD1 LEU 31 -0.046 -2.260 -7.536 187 HD13 LEU 31 3HD1 LEU 31 1.124 -2.807 -6.336 188 HD21 LEU 31 3HD2 LEU 31 -1.848 -4.271 -5.185 189 HD22 LEU 31 1HD2 LEU 31 -1.041 -4.178 -6.751 190 HD23 LEU 31 2HD2 LEU 31 -2.548 -3.302 -6.482 191 H CYS 32 H CYS 32 0.440 -3.130 -1.399 192 HA CYS 32 HA CYS 32 0.048 -6.043 -0.984 193 HB2 CYS 32 2HB CYS 32 2.181 -4.273 0.228 194 HB3 CYS 32 1HB CYS 32 2.192 -6.031 0.092 195 H CYS 33 H CYS 33 -2.120 -5.104 0.068 196 HA CYS 33 HA CYS 33 -1.581 -5.089 2.985 197 HB2 CYS 33 2HB CYS 33 -2.686 -2.859 1.436 198 HB3 CYS 33 1HB CYS 33 -3.724 -3.349 2.775 199 H GLU 34 H GLU 34 -2.699 -6.802 3.750 200 HA GLU 34 HA GLU 34 -5.268 -7.524 2.413 201 HB2 GLU 34 2HB GLU 34 -3.404 -9.185 4.140 202 HB3 GLU 34 1HB GLU 34 -4.931 -9.759 3.466 203 HG2 GLU 34 2HG GLU 34 -4.105 -9.377 1.193 204 HG3 GLU 34 1HG GLU 34 -2.597 -8.719 1.832 205 H GLN 35 H GLN 35 -7.122 -7.289 3.579 206 HA GLN 35 HA GLN 35 -8.528 -6.825 5.393 207 HB2 GLN 35 2HB GLN 35 -6.259 -8.298 6.725 208 HB3 GLN 35 1HB GLN 35 -7.595 -7.644 7.672 209 HG2 GLN 35 2HG GLN 35 -8.014 -9.443 5.276 210 HG3 GLN 35 1HG GLN 35 -7.875 -10.060 6.923 211 HE21 GLN 35 1HE2 GLN 35 -9.949 -8.236 4.721 212 HE22 GLN 35 2HE2 GLN 35 -11.299 -8.180 5.749 213 H CYS 36 H CYS 36 -6.800 -4.756 4.456 214 HA CYS 36 HA CYS 36 -6.112 -2.609 5.100 215 HB2 CYS 36 2HB CYS 36 -7.571 -3.402 7.638 216 HB3 CYS 36 1HB CYS 36 -6.975 -1.776 7.294 217 H LYS 37 H LYS 37 -4.569 -5.173 5.814 218 HA LYS 37 HA LYS 37 -2.827 -3.943 7.912 219 HB2 LYS 37 2HB LYS 37 -3.795 -6.693 7.485 220 HB3 LYS 37 1HB LYS 37 -2.060 -6.582 7.785 221 HG2 LYS 37 2HG LYS 37 -2.479 -5.270 9.821 222 HG3 LYS 37 1HG LYS 37 -4.215 -5.339 9.520 223 HD2 LYS 37 2HD LYS 37 -4.117 -7.820 9.652 224 HD3 LYS 37 1HD LYS 37 -2.397 -7.713 10.033 225 HE2 LYS 37 2HE LYS 37 -3.000 -6.273 12.009 226 HE3 LYS 37 1HE LYS 37 -4.697 -6.610 11.670 227 HZ1 LYS 37 3HZ LYS 37 -2.666 -8.726 12.106 228 HZ2 LYS 37 1HZ LYS 37 -4.350 -8.914 12.026 229 HZ3 LYS 37 2HZ LYS 37 -3.649 -8.103 13.344 230 H PHE 38 H PHE 38 -0.472 -4.403 7.602 231 HA PHE 38 HA PHE 38 0.283 -3.947 4.818 232 HB2 PHE 38 2HB PHE 38 1.804 -4.204 7.411 233 HB3 PHE 38 1HB PHE 38 2.644 -4.120 5.866 234 HD1 PHE 38 2HD PHE 38 1.172 -2.243 4.273 235 HD2 PHE 38 1HD PHE 38 1.959 -2.144 8.495 236 HE1 PHE 38 2HE PHE 38 0.920 0.224 4.263 237 HE2 PHE 38 1HE PHE 38 1.708 0.323 8.483 238 HZ PHE 38 HZ PHE 38 1.188 1.507 6.368 239 H SER 39 H SER 39 0.751 -5.550 3.374 240 HA SER 39 HA SER 39 0.654 -8.322 4.082 241 HB2 SER 39 2HB SER 39 1.957 -7.073 1.638 242 HB3 SER 39 1HB SER 39 1.436 -8.748 1.804 243 HG SER 39 HG SER 39 -0.110 -7.418 0.726 244 H ARG 40 H ARG 40 3.208 -8.901 2.427 245 HA ARG 40 HA ARG 40 5.104 -8.493 4.707 246 HB2 ARG 40 2HB ARG 40 4.940 -10.777 2.711 247 HB3 ARG 40 1HB ARG 40 6.210 -10.594 3.920 248 HG2 ARG 40 2HG ARG 40 4.896 -11.610 5.433 249 HG3 ARG 40 1HG ARG 40 3.718 -10.307 5.266 250 HD2 ARG 40 2HD ARG 40 2.334 -11.926 4.476 251 HD3 ARG 40 1HD ARG 40 3.264 -11.773 2.986 252 HE ARG 40 HE ARG 40 4.320 -13.843 3.480 253 HH11 ARG 40 1HH1 ARG 40 1.693 -14.605 4.710 254 HH12 ARG 40 2HH1 ARG 40 2.176 -15.170 6.274 255 HH21 ARG 40 1HH2 ARG 40 5.317 -13.710 6.127 256 HH22 ARG 40 2HH2 ARG 40 4.227 -14.664 7.076 257 H ALA 41 H ALA 41 7.405 -8.288 4.049 258 HA ALA 41 HA ALA 41 7.695 -6.459 1.820 259 HB1 ALA 41 1HB ALA 41 9.092 -6.664 4.042 260 HB2 ALA 41 2HB ALA 41 9.896 -6.166 2.552 261 HB3 ALA 41 3HB ALA 41 10.035 -7.832 3.117 262 H GLY 42 H GLY 42 9.428 -6.882 0.101 263 HA2 GLY 42 2HA GLY 42 10.256 -8.215 -1.656 264 HA3 GLY 42 1HA GLY 42 10.025 -9.622 -0.615 265 H LYS 43 H LYS 43 7.323 -7.515 -1.045 266 HA LYS 43 HA LYS 43 5.895 -9.681 -2.473 267 HB2 LYS 43 2HB LYS 43 4.568 -8.821 -0.742 268 HB3 LYS 43 1HB LYS 43 5.078 -7.163 -1.043 269 HG2 LYS 43 2HG LYS 43 2.719 -7.648 -1.779 270 HG3 LYS 43 1HG LYS 43 3.760 -7.056 -3.069 271 HD2 LYS 43 2HD LYS 43 4.153 -9.385 -3.813 272 HD3 LYS 43 1HD LYS 43 3.079 -9.963 -2.539 273 HE2 LYS 43 2HE LYS 43 2.400 -8.400 -5.016 274 HE3 LYS 43 1HE LYS 43 1.632 -9.853 -4.375 275 HZ1 LYS 43 3HZ LYS 43 1.431 -7.084 -3.344 276 HZ2 LYS 43 1HZ LYS 43 0.939 -8.433 -2.441 277 HZ3 LYS 43 2HZ LYS 43 0.180 -8.079 -3.918 278 H ILE 44 H ILE 44 6.195 -9.673 -4.657 279 HA ILE 44 HA ILE 44 6.970 -7.448 -6.235 280 HB ILE 44 HB ILE 44 7.168 -9.726 -7.081 281 HG12 ILE 44 2HG1 ILE 44 6.212 -9.399 -9.317 282 HG13 ILE 44 1HG1 ILE 44 5.125 -8.160 -8.689 283 HG21 ILE 44 1HG2 ILE 44 5.498 -11.176 -6.651 284 HG22 ILE 44 2HG2 ILE 44 4.535 -10.357 -7.880 285 HG23 ILE 44 3HG2 ILE 44 4.419 -9.860 -6.192 286 HD11 ILE 44 3HD1 ILE 44 6.854 -6.625 -8.350 287 HD12 ILE 44 1HD1 ILE 44 7.372 -7.434 -9.829 288 HD13 ILE 44 2HD1 ILE 44 8.089 -7.882 -8.282 289 H CYS 45 H CYS 45 5.557 -5.730 -5.410 290 HA CYS 45 HA CYS 45 2.691 -5.822 -5.761 291 HB2 CYS 45 2HB CYS 45 2.877 -3.325 -5.473 292 HB3 CYS 45 1HB CYS 45 3.652 -4.250 -4.188 293 H ARG 46 H ARG 46 5.351 -5.267 -7.874 294 HA ARG 46 HA ARG 46 3.476 -4.828 -10.119 295 HB2 ARG 46 2HB ARG 46 4.643 -2.621 -8.975 296 HB3 ARG 46 1HB ARG 46 5.812 -3.031 -10.232 297 HG2 ARG 46 2HG ARG 46 4.366 -1.732 -11.478 298 HG3 ARG 46 1HG ARG 46 3.598 -3.307 -11.692 299 HD2 ARG 46 2HD ARG 46 2.060 -2.837 -9.843 300 HD3 ARG 46 1HD ARG 46 2.853 -1.289 -9.552 301 HE ARG 46 HE ARG 46 2.061 -0.637 -11.871 302 HH11 ARG 46 1HH2 ARG 46 -0.204 -0.984 -9.828 303 HH12 ARG 46 2HH2 ARG 46 -1.362 -1.858 -10.776 304 HH21 ARG 46 1HH1 ARG 46 0.922 -2.735 -13.237 305 HH22 ARG 46 2HH1 ARG 46 -0.723 -2.850 -12.708 306 H ILE 47 H ILE 47 4.117 -6.159 -11.737 307 HA ILE 47 HA ILE 47 6.795 -7.381 -11.612 308 HB ILE 47 HB ILE 47 4.785 -8.762 -12.095 309 HG12 ILE 47 2HG1 ILE 47 5.730 -9.918 -14.085 310 HG13 ILE 47 1HG1 ILE 47 6.780 -8.529 -14.372 311 HG21 ILE 47 1HG2 ILE 47 4.153 -6.612 -13.794 312 HG22 ILE 47 2HG2 ILE 47 3.262 -8.125 -13.630 313 HG23 ILE 47 3HG2 ILE 47 4.504 -7.964 -14.871 314 HD11 ILE 47 3HD1 ILE 47 8.242 -9.197 -12.788 315 HD12 ILE 47 1HD1 ILE 47 7.371 -10.730 -12.762 316 HD13 ILE 47 2HD1 ILE 47 6.951 -9.459 -11.615 317 H ALA 48 H ALA 48 8.440 -6.982 -13.061 318 HA ALA 48 HA ALA 48 8.155 -4.599 -14.774 319 HB1 ALA 48 1HB ALA 48 10.609 -4.967 -15.169 320 HB2 ALA 48 2HB ALA 48 10.517 -6.387 -14.127 321 HB3 ALA 48 3HB ALA 48 10.191 -4.786 -13.465 322 H ARG 49 H ARG 49 8.935 -4.702 -17.042 323 HA ARG 49 HA ARG 49 7.948 -7.180 -18.340 324 HB2 ARG 49 2HB ARG 49 8.545 -4.424 -19.458 325 HB3 ARG 49 1HB ARG 49 7.940 -5.782 -20.410 326 HG2 ARG 49 2HG ARG 49 5.918 -4.825 -19.872 327 HG3 ARG 49 1HG ARG 49 6.122 -5.825 -18.434 328 HD2 ARG 49 2HD ARG 49 5.587 -3.656 -17.611 329 HD3 ARG 49 1HD ARG 49 7.329 -3.816 -17.395 330 HE ARG 49 HE ARG 49 7.448 -2.550 -19.665 331 HH11 ARG 49 1HH1 ARG 49 6.545 -1.225 -16.896 332 HH12 ARG 49 2HH1 ARG 49 5.424 -0.063 -17.524 333 HH21 ARG 49 1HH2 ARG 49 5.305 -1.489 -20.682 334 HH22 ARG 49 2HH2 ARG 49 4.722 -0.213 -19.667 335 H GLY 50 H GLY 50 10.865 -5.515 -17.627 336 HA2 GLY 50 2HA GLY 50 12.748 -7.319 -18.121 337 HA3 GLY 50 1HA GLY 50 12.333 -6.927 -19.786 338 H ASP 51 H ASP 51 14.814 -6.475 -18.149 339 HA ASP 51 HA ASP 51 16.519 -4.893 -18.253 340 HB2 ASP 51 2HB ASP 51 14.556 -3.816 -20.091 341 HB3 ASP 51 1HB ASP 51 15.404 -2.530 -19.237 342 H TRP 52 H TRP 52 13.412 -3.989 -16.868 343 HA TRP 52 HA TRP 52 14.787 -1.989 -15.157 344 HB2 TRP 52 2HB TRP 52 12.074 -2.368 -14.321 345 HB3 TRP 52 1HB TRP 52 12.795 -0.948 -15.070 346 HD1 TRP 52 HD TRP 52 10.056 -3.165 -15.589 347 HE1 TRP 52 1HE TRP 52 9.348 -3.283 -18.066 348 HE3 TRP 52 3HE TRP 52 14.158 -1.071 -17.784 349 HZ2 TRP 52 2HZ TRP 52 10.378 -2.605 -20.624 350 HZ3 TRP 52 3HZ TRP 52 14.272 -0.825 -20.252 351 HH2 TRP 52 HH TRP 52 12.387 -1.589 -21.672 352 H ASN 53 H ASN 53 13.244 -2.335 -12.806 353 HA ASN 53 HA ASN 53 14.083 -5.072 -11.935 354 HB2 ASN 53 2HB ASN 53 14.107 -2.756 -10.029 355 HB3 ASN 53 1HB ASN 53 15.069 -4.234 -10.001 356 HD21 ASN 53 1HD2 ASN 53 15.289 -0.951 -10.670 357 HD22 ASN 53 2HD2 ASN 53 16.639 -0.979 -11.699 358 H ASP 54 H ASP 54 12.463 -6.216 -10.968 359 HA ASP 54 HA ASP 54 9.789 -5.251 -10.863 360 HB2 ASP 54 2HB ASP 54 10.789 -7.452 -9.063 361 HB3 ASP 54 1HB ASP 54 9.232 -7.319 -9.880 362 H ASP 55 H ASP 55 8.542 -4.446 -9.143 363 HA ASP 55 HA ASP 55 10.116 -3.270 -6.924 364 HB2 ASP 55 2HB ASP 55 7.612 -2.622 -8.332 365 HB3 ASP 55 1HB ASP 55 7.526 -2.407 -6.583 366 H ARG 56 H ARG 56 9.880 -3.938 -4.813 367 HA ARG 56 HA ARG 56 7.770 -5.983 -4.256 368 HB2 ARG 56 2HB ARG 56 10.563 -5.968 -3.088 369 HB3 ARG 56 1HB ARG 56 9.328 -7.211 -2.883 370 HG2 ARG 56 2HG ARG 56 9.632 -6.851 -5.674 371 HG3 ARG 56 1HG ARG 56 11.262 -6.934 -5.001 372 HD2 ARG 56 2HD ARG 56 10.432 -8.982 -3.684 373 HD3 ARG 56 1HD ARG 56 9.043 -8.971 -4.771 374 HE ARG 56 HE ARG 56 11.677 -8.941 -6.090 375 HH11 ARG 56 1HH1 ARG 56 9.228 -10.872 -4.638 376 HH12 ARG 56 2HH1 ARG 56 9.407 -12.182 -5.757 377 HH21 ARG 56 1HH2 ARG 56 11.814 -10.574 -7.666 378 HH22 ARG 56 2HH2 ARG 56 10.872 -12.015 -7.471 379 H CYS 57 H CYS 57 6.407 -5.240 -2.715 380 HA CYS 57 HA CYS 57 6.725 -2.859 -1.255 381 HB2 CYS 57 2HB CYS 57 5.154 -5.368 -0.627 382 HB3 CYS 57 1HB CYS 57 5.075 -3.928 0.386 383 H THR 58 H THR 58 7.462 -2.437 0.881 384 HA THR 58 HA THR 58 9.699 -4.118 1.721 385 HB THR 58 HB THR 58 10.363 -2.320 3.007 386 HG1 THR 58 1HG THR 58 8.898 -1.005 4.093 387 HG21 THR 58 3HG2 THR 58 8.429 -0.598 1.552 388 HG22 THR 58 1HG2 THR 58 9.437 -1.651 0.559 389 HG23 THR 58 2HG2 THR 58 10.186 -0.485 1.649 390 H GLY 59 H GLY 59 6.465 -4.441 2.194 391 HA2 GLY 59 2HA GLY 59 5.444 -6.049 3.643 392 HA3 GLY 59 1HA GLY 59 6.906 -6.052 4.629 393 H GLN 60 H GLN 60 6.768 -2.975 4.493 394 HA GLN 60 HA GLN 60 4.732 -2.688 6.665 395 HB2 GLN 60 2HB GLN 60 7.056 -0.820 6.186 396 HB3 GLN 60 1HB GLN 60 6.104 -1.024 7.656 397 HG2 GLN 60 2HG GLN 60 7.488 -2.640 8.384 398 HG3 GLN 60 1HG GLN 60 7.273 -3.550 6.887 399 HE21 GLN 60 1HE2 GLN 60 9.832 -3.285 8.273 400 HE22 GLN 60 2HE2 GLN 60 10.878 -2.441 7.237 401 H SER 61 H SER 61 5.633 -1.718 3.502 402 HA SER 61 HA SER 61 3.922 0.713 3.647 403 HB2 SER 61 2HB SER 61 6.000 1.151 2.551 404 HB3 SER 61 1HB SER 61 5.881 -0.318 1.587 405 HG SER 61 HG SER 61 4.317 2.040 1.425 406 H ALA 62 H ALA 62 2.166 0.974 2.153 407 HA ALA 62 HA ALA 62 1.150 -1.618 1.056 408 HB1 ALA 62 1HB ALA 62 -0.523 0.771 1.876 409 HB2 ALA 62 2HB ALA 62 -0.165 -0.571 2.963 410 HB3 ALA 62 3HB ALA 62 -1.090 -0.855 1.489 411 H ASP 63 H ASP 63 1.509 1.859 0.503 412 HA ASP 63 HA ASP 63 0.336 1.721 -2.175 413 HB2 ASP 63 2HB ASP 63 2.093 3.959 -1.177 414 HB3 ASP 63 1HB ASP 63 0.733 4.041 -2.296 415 H CYS 64 H CYS 64 1.720 0.015 -3.058 416 HA CYS 64 HA CYS 64 4.518 0.014 -3.183 417 HB2 CYS 64 2HB CYS 64 3.293 -1.854 -4.091 418 HB3 CYS 64 1HB CYS 64 2.493 -0.822 -5.276 419 HA PRO 65 HA PRO 65 5.374 3.661 -5.460 420 HB2 PRO 65 2HB PRO 65 8.065 3.199 -5.620 421 HB3 PRO 65 1HB PRO 65 7.278 3.832 -4.175 422 HG2 PRO 65 2HG PRO 65 8.393 1.125 -4.695 423 HG3 PRO 65 1HG PRO 65 8.130 1.952 -3.151 424 HD2 PRO 65 2HD PRO 65 6.489 -0.073 -4.264 425 HD3 PRO 65 1HD PRO 65 6.095 0.961 -2.873 426 H ARG 66 H ARG 66 7.155 3.975 -7.453 427 HA ARG 66 HA ARG 66 6.954 1.675 -9.312 428 HB2 ARG 66 2HB ARG 66 4.981 3.497 -9.447 429 HB3 ARG 66 1HB ARG 66 6.181 4.324 -10.440 430 HG2 ARG 66 2HG ARG 66 6.096 2.746 -12.102 431 HG3 ARG 66 1HG ARG 66 5.798 1.424 -10.973 432 HD2 ARG 66 2HD ARG 66 3.748 1.657 -12.130 433 HD3 ARG 66 1HD ARG 66 3.482 2.512 -10.611 434 HE ARG 66 HE ARG 66 3.995 4.633 -11.918 435 HH11 ARG 66 1HH1 ARG 66 2.071 2.078 -12.980 436 HH12 ARG 66 2HH1 ARG 66 1.821 2.706 -14.575 437 HH21 ARG 66 1HH2 ARG 66 4.085 5.304 -14.196 438 HH22 ARG 66 2HH2 ARG 66 2.961 4.531 -15.263 439 H TYR 67 H TYR 67 8.340 2.005 -11.244 440 HA TYR 67 HA TYR 67 10.356 4.171 -10.948 441 HB2 TYR 67 2HB TYR 67 10.967 1.208 -11.134 442 HB3 TYR 67 1HB TYR 67 12.171 2.478 -11.361 443 HD1 TYR 67 1HD TYR 67 11.388 4.476 -9.356 444 HD2 TYR 67 2HD TYR 67 11.486 0.190 -9.076 445 HE1 TYR 67 1HE TYR 67 11.679 4.643 -6.900 446 HE2 TYR 67 2HE TYR 67 11.777 0.358 -6.619 447 HH TYR 67 HH TYR 67 12.749 2.204 -5.005 448 H HIS 68 H HIS 68 8.104 3.290 -12.852 449 HA HIS 68 HA HIS 68 9.516 4.000 -15.295 450 HB2 HIS 68 2HB HIS 68 8.644 1.845 -16.460 451 HB3 HIS 68 1HB HIS 68 10.117 1.731 -15.498 452 HD1 HIS 68 1HD HIS 68 6.386 1.061 -15.214 453 HD2 HIS 68 2HD HIS 68 9.947 -0.024 -13.340 454 HE1 HIS 68 1HE HIS 68 5.794 -0.749 -13.544 Start of MODEL 6 1 H GLY 1 1HT GLY 1 2.567 15.241 11.969 2 HA2 GLY 1 1HA GLY 1 0.594 16.488 11.653 3 HA3 GLY 1 2HA GLY 1 1.694 16.880 10.332 4 H LYS 2 H LYS 2 1.208 14.125 9.165 5 HA LYS 2 HA LYS 2 -0.777 14.798 7.272 6 HB2 LYS 2 2HB LYS 2 0.834 12.493 7.911 7 HB3 LYS 2 1HB LYS 2 -0.812 11.980 7.533 8 HG2 LYS 2 2HG LYS 2 0.734 12.162 5.530 9 HG3 LYS 2 1HG LYS 2 -0.757 13.097 5.405 10 HD2 LYS 2 2HD LYS 2 0.372 15.048 5.313 11 HD3 LYS 2 1HD LYS 2 1.358 14.618 6.711 12 HE2 LYS 2 2HE LYS 2 3.100 14.028 5.405 13 HE3 LYS 2 1HE LYS 2 2.070 13.035 4.373 14 HZ1 LYS 2 3HZ LYS 2 1.370 15.024 3.206 15 HZ2 LYS 2 1HZ LYS 2 3.058 14.871 3.146 16 HZ3 LYS 2 2HZ LYS 2 2.344 15.989 4.209 17 H GLU 3 H GLU 3 -3.001 14.337 7.136 18 HA GLU 3 HA GLU 3 -4.248 13.286 9.645 19 HB2 GLU 3 2HB GLU 3 -5.139 15.570 7.867 20 HB3 GLU 3 1HB GLU 3 -6.181 14.830 9.083 21 HG2 GLU 3 2HG GLU 3 -5.197 16.023 10.717 22 HG3 GLU 3 1HG GLU 3 -3.609 15.419 10.245 23 H CYS 4 H CYS 4 -3.719 12.675 6.441 24 HA CYS 4 HA CYS 4 -6.236 11.064 6.250 25 HB2 CYS 4 2HB CYS 4 -4.792 12.619 4.083 26 HB3 CYS 4 1HB CYS 4 -6.027 11.412 3.740 27 H ASP 5 H ASP 5 -5.312 9.128 6.882 28 HA ASP 5 HA ASP 5 -2.727 8.255 5.833 29 HB2 ASP 5 2HB ASP 5 -3.720 7.703 8.137 30 HB3 ASP 5 1HB ASP 5 -4.740 6.540 7.292 31 H CYS 6 H CYS 6 -5.603 8.483 4.307 32 HA CYS 6 HA CYS 6 -4.936 6.161 2.574 33 HB2 CYS 6 2HB CYS 6 -7.251 5.437 2.448 34 HB3 CYS 6 1HB CYS 6 -6.756 5.460 4.139 35 H SER 7 H SER 7 -5.825 6.382 0.391 36 HA SER 7 HA SER 7 -6.097 9.245 -0.352 37 HB2 SER 7 2HB SER 7 -4.961 6.866 -1.603 38 HB3 SER 7 1HB SER 7 -6.026 7.744 -2.697 39 HG SER 7 HG SER 7 -4.582 9.259 -2.809 40 H SER 8 H SER 8 -8.093 6.617 0.268 41 HA SER 8 HA SER 8 -10.153 7.617 -1.654 42 HB2 SER 8 2HB SER 8 -9.301 5.062 -1.378 43 HB3 SER 8 1HB SER 8 -10.609 5.071 -0.200 44 HG SER 8 HG SER 8 -10.730 5.016 -2.882 45 HA PRO 9 HA PRO 9 -12.032 9.147 2.103 46 HB2 PRO 9 2HB PRO 9 -14.070 10.480 0.829 47 HB3 PRO 9 1HB PRO 9 -12.424 11.120 0.978 48 HG2 PRO 9 2HG PRO 9 -13.779 9.963 -1.411 49 HG3 PRO 9 1HG PRO 9 -12.450 11.132 -1.331 50 HD2 PRO 9 2HD PRO 9 -12.200 8.367 -1.899 51 HD3 PRO 9 1HD PRO 9 -10.872 9.481 -1.506 52 H GLU 10 H GLU 10 -13.324 6.993 -0.229 53 HA GLU 10 HA GLU 10 -15.804 6.563 1.365 54 HB2 GLU 10 2HB GLU 10 -15.409 6.641 -1.367 55 HB3 GLU 10 1HB GLU 10 -15.410 4.908 -1.035 56 HG2 GLU 10 2HG GLU 10 -17.506 5.810 0.518 57 HG3 GLU 10 1HG GLU 10 -17.625 6.833 -0.913 58 H ASN 11 H ASN 11 -12.868 5.711 1.868 59 HA ASN 11 HA ASN 11 -13.126 2.772 1.887 60 HB2 ASN 11 2HB ASN 11 -10.985 4.276 1.431 61 HB3 ASN 11 1HB ASN 11 -10.861 4.238 3.188 62 HD21 ASN 11 1HD2 ASN 11 -8.985 2.835 3.199 63 HD22 ASN 11 2HD2 ASN 11 -9.076 1.209 2.723 64 HA PRO 12 HA PRO 12 -14.661 2.922 6.054 65 HB2 PRO 12 2HB PRO 12 -14.625 0.205 6.479 66 HB3 PRO 12 1HB PRO 12 -15.878 1.032 5.537 67 HG2 PRO 12 2HG PRO 12 -13.613 -0.652 4.575 68 HG3 PRO 12 1HG PRO 12 -15.182 -0.338 3.813 69 HD2 PRO 12 2HD PRO 12 -12.722 0.873 3.107 70 HD3 PRO 12 1HD PRO 12 -14.335 1.404 2.587 71 H CYS 13 H CYS 13 -11.773 1.030 5.188 72 HA CYS 13 HA CYS 13 -10.767 0.496 7.756 73 HB2 CYS 13 2HB CYS 13 -9.859 -0.071 5.325 74 HB3 CYS 13 1HB CYS 13 -8.857 1.356 5.610 75 H CYS 14 H CYS 14 -10.053 3.357 5.712 76 HA CYS 14 HA CYS 14 -8.899 4.687 8.087 77 HB2 CYS 14 2HB CYS 14 -8.061 6.340 6.588 78 HB3 CYS 14 1HB CYS 14 -7.857 4.803 5.751 79 H ASP 15 H ASP 15 -10.060 6.093 9.308 80 HA ASP 15 HA ASP 15 -12.825 6.457 9.115 81 HB2 ASP 15 2HB ASP 15 -11.129 7.165 10.983 82 HB3 ASP 15 1HB ASP 15 -11.078 8.695 10.104 83 H ALA 16 H ALA 16 -14.090 7.581 7.693 84 HA ALA 16 HA ALA 16 -12.946 9.023 5.487 85 HB1 ALA 16 1HB ALA 16 -15.458 9.864 5.352 86 HB2 ALA 16 2HB ALA 16 -15.715 8.594 6.549 87 HB3 ALA 16 3HB ALA 16 -15.051 8.193 4.966 88 H ALA 17 H ALA 17 -14.276 10.032 8.604 89 HA ALA 17 HA ALA 17 -14.352 12.845 8.035 90 HB1 ALA 17 1HB ALA 17 -13.715 12.202 10.812 91 HB2 ALA 17 2HB ALA 17 -15.037 11.216 10.190 92 HB3 ALA 17 3HB ALA 17 -15.153 12.976 10.145 93 H THR 18 H THR 18 -11.926 10.924 9.852 94 HA THR 18 HA THR 18 -9.998 13.152 9.440 95 HB THR 18 HB THR 18 -10.324 12.250 11.748 96 HG1 THR 18 1HG THR 18 -7.785 11.425 11.362 97 HG21 THR 18 3HG2 THR 18 -9.151 9.964 12.098 98 HG22 THR 18 1HG2 THR 18 -9.411 9.731 10.369 99 HG23 THR 18 2HG2 THR 18 -10.790 9.962 11.446 100 H CYS 19 H CYS 19 -10.889 10.943 7.479 101 HA CYS 19 HA CYS 19 -9.877 9.307 6.070 102 HB2 CYS 19 2HB CYS 19 -7.752 10.483 5.016 103 HB3 CYS 19 1HB CYS 19 -9.369 11.071 4.672 104 H LYS 20 H LYS 20 -9.070 8.781 8.784 105 HA LYS 20 HA LYS 20 -6.321 7.764 8.206 106 HB2 LYS 20 2HB LYS 20 -7.271 9.061 10.771 107 HB3 LYS 20 1HB LYS 20 -5.732 8.217 10.594 108 HG2 LYS 20 2HG LYS 20 -6.061 10.097 8.432 109 HG3 LYS 20 1HG LYS 20 -6.285 10.923 9.975 110 HD2 LYS 20 2HD LYS 20 -3.980 9.026 9.598 111 HD3 LYS 20 1HD LYS 20 -3.867 10.688 9.019 112 HE2 LYS 20 2HE LYS 20 -4.173 11.582 11.203 113 HE3 LYS 20 1HE LYS 20 -4.721 10.033 11.842 114 HZ1 LYS 20 3HZ LYS 20 -2.363 9.297 10.992 115 HZ2 LYS 20 1HZ LYS 20 -2.571 9.993 12.523 116 HZ3 LYS 20 2HZ LYS 20 -2.010 10.941 11.230 117 H LEU 21 H LEU 21 -5.807 5.763 9.174 118 HA LEU 21 HA LEU 21 -7.694 3.764 9.281 119 HB2 LEU 21 2HB LEU 21 -5.187 4.052 10.955 120 HB3 LEU 21 1HB LEU 21 -6.129 2.563 10.863 121 HG LEU 21 HG LEU 21 -5.649 3.581 8.207 122 HD11 LEU 21 1HD1 LEU 21 -3.658 4.601 9.388 123 HD12 LEU 21 2HD1 LEU 21 -3.243 3.455 8.113 124 HD13 LEU 21 3HD1 LEU 21 -3.150 2.964 9.804 125 HD21 LEU 21 3HD2 LEU 21 -5.707 1.348 7.923 126 HD22 LEU 21 1HD2 LEU 21 -5.715 1.129 9.673 127 HD23 LEU 21 2HD2 LEU 21 -4.185 1.196 8.800 128 H ARG 22 H ARG 22 -9.504 3.514 10.516 129 HA ARG 22 HA ARG 22 -9.825 5.058 12.981 130 HB2 ARG 22 2HB ARG 22 -11.563 3.883 11.083 131 HB3 ARG 22 1HB ARG 22 -11.886 3.076 12.619 132 HG2 ARG 22 2HG ARG 22 -11.757 5.579 13.538 133 HG3 ARG 22 1HG ARG 22 -12.229 5.950 11.880 134 HD2 ARG 22 2HD ARG 22 -14.163 4.442 12.075 135 HD3 ARG 22 1HD ARG 22 -13.686 4.033 13.723 136 HE ARG 22 HE ARG 22 -13.958 6.872 13.513 137 HH11 ARG 22 1HH2 ARG 22 -15.814 3.963 13.365 138 HH12 ARG 22 2HH2 ARG 22 -17.225 4.676 14.070 139 HH21 ARG 22 1HH1 ARG 22 -15.772 7.796 14.485 140 HH22 ARG 22 2HH1 ARG 22 -17.203 6.845 14.702 141 HA PRO 23 HA PRO 23 -9.808 0.703 14.928 142 HB2 PRO 23 2HB PRO 23 -9.284 -1.438 13.288 143 HB3 PRO 23 1HB PRO 23 -10.915 -0.814 13.591 144 HG2 PRO 23 2HG PRO 23 -9.219 -0.529 11.156 145 HG3 PRO 23 1HG PRO 23 -10.984 -0.485 11.307 146 HD2 PRO 23 2HD PRO 23 -9.276 1.761 11.026 147 HD3 PRO 23 1HD PRO 23 -10.995 1.798 11.473 148 H GLY 24 H GLY 24 -7.990 -1.454 14.638 149 HA2 GLY 24 2HA GLY 24 -5.425 0.004 14.885 150 HA3 GLY 24 1HA GLY 24 -5.722 -1.655 15.407 151 H ALA 25 H ALA 25 -6.548 -0.308 12.242 152 HA ALA 25 HA ALA 25 -5.093 -2.491 10.936 153 HB1 ALA 25 1HB ALA 25 -7.020 -2.059 9.737 154 HB2 ALA 25 2HB ALA 25 -5.906 -1.010 8.861 155 HB3 ALA 25 3HB ALA 25 -6.979 -0.331 10.086 156 H GLN 26 H GLN 26 -3.177 -2.274 9.742 157 HA GLN 26 HA GLN 26 -1.442 -0.076 10.447 158 HB2 GLN 26 2HB GLN 26 -1.189 -2.341 8.455 159 HB3 GLN 26 1HB GLN 26 0.093 -1.165 8.736 160 HG2 GLN 26 2HG GLN 26 -1.056 -2.377 11.180 161 HG3 GLN 26 1HG GLN 26 -0.158 -3.487 10.143 162 HE21 GLN 26 1HE2 GLN 26 1.321 -3.352 12.216 163 HE22 GLN 26 2HE2 GLN 26 2.519 -2.151 12.196 164 H CYS 27 H CYS 27 -2.872 -1.076 7.313 165 HA CYS 27 HA CYS 27 -2.665 1.787 6.480 166 HB2 CYS 27 2HB CYS 27 -1.019 0.902 5.108 167 HB3 CYS 27 1HB CYS 27 -1.740 -0.701 5.091 168 H GLY 28 H GLY 28 -4.490 2.620 5.547 169 HA2 GLY 28 2HA GLY 28 -6.923 1.002 5.681 170 HA3 GLY 28 1HA GLY 28 -6.838 2.710 5.254 171 H GLU 29 H GLU 29 -4.914 2.489 3.170 172 HA GLU 29 HA GLU 29 -6.094 0.610 1.210 173 HB2 GLU 29 2HB GLU 29 -7.454 2.681 1.073 174 HB3 GLU 29 1HB GLU 29 -5.988 3.608 0.767 175 HG2 GLU 29 2HG GLU 29 -5.828 1.559 -1.089 176 HG3 GLU 29 1HG GLU 29 -7.550 1.936 -1.061 177 H GLY 30 H GLY 30 -4.622 0.090 -0.461 178 HA2 GLY 30 2HA GLY 30 -2.417 1.433 -1.420 179 HA3 GLY 30 1HA GLY 30 -1.822 0.737 0.091 180 H LEU 31 H LEU 31 -1.095 0.060 -2.743 181 HA LEU 31 HA LEU 31 -2.256 -2.410 -3.548 182 HB2 LEU 31 2HB LEU 31 0.317 -0.999 -4.078 183 HB3 LEU 31 1HB LEU 31 0.282 -2.727 -4.413 184 HG LEU 31 HG LEU 31 -1.580 -0.625 -5.544 185 HD11 LEU 31 1HD1 LEU 31 0.919 -1.734 -6.395 186 HD12 LEU 31 2HD1 LEU 31 -0.100 -0.569 -7.238 187 HD13 LEU 31 3HD1 LEU 31 -0.339 -2.298 -7.492 188 HD21 LEU 31 3HD2 LEU 31 -1.950 -3.472 -5.117 189 HD22 LEU 31 1HD2 LEU 31 -1.954 -3.097 -6.841 190 HD23 LEU 31 2HD2 LEU 31 -3.090 -2.290 -5.760 191 H CYS 32 H CYS 32 0.050 -1.638 -1.050 192 HA CYS 32 HA CYS 32 0.540 -4.543 -0.592 193 HB2 CYS 32 2HB CYS 32 1.973 -2.361 0.894 194 HB3 CYS 32 1HB CYS 32 2.545 -3.970 0.455 195 H CYS 33 H CYS 33 -1.992 -3.355 0.123 196 HA CYS 33 HA CYS 33 -1.800 -3.544 3.104 197 HB2 CYS 33 2HB CYS 33 -3.894 -2.011 1.540 198 HB3 CYS 33 1HB CYS 33 -3.670 -2.016 3.289 199 H GLU 34 H GLU 34 -2.282 -5.758 3.226 200 HA GLU 34 HA GLU 34 -4.830 -6.653 1.962 201 HB2 GLU 34 2HB GLU 34 -2.708 -8.385 3.258 202 HB3 GLU 34 1HB GLU 34 -4.014 -8.903 2.191 203 HG2 GLU 34 2HG GLU 34 -2.274 -6.826 1.035 204 HG3 GLU 34 1HG GLU 34 -1.454 -8.353 1.362 205 H GLN 35 H GLN 35 -6.563 -6.992 3.282 206 HA GLN 35 HA GLN 35 -7.810 -7.190 5.258 207 HB2 GLN 35 2HB GLN 35 -6.194 -9.185 5.511 208 HB3 GLN 35 1HB GLN 35 -5.272 -8.142 6.594 209 HG2 GLN 35 2HG GLN 35 -7.326 -7.797 7.961 210 HG3 GLN 35 1HG GLN 35 -8.182 -8.931 6.915 211 HE21 GLN 35 1HE2 GLN 35 -7.958 -11.146 7.381 212 HE22 GLN 35 2HE2 GLN 35 -6.872 -11.775 8.524 213 H CYS 36 H CYS 36 -6.227 -4.783 4.573 214 HA CYS 36 HA CYS 36 -5.746 -2.704 5.533 215 HB2 CYS 36 2HB CYS 36 -7.439 -3.999 7.654 216 HB3 CYS 36 1HB CYS 36 -6.640 -2.467 7.968 217 H LYS 37 H LYS 37 -3.714 -4.618 5.574 218 HA LYS 37 HA LYS 37 -2.265 -3.777 8.022 219 HB2 LYS 37 2HB LYS 37 -3.012 -6.540 7.270 220 HB3 LYS 37 1HB LYS 37 -1.328 -6.319 7.744 221 HG2 LYS 37 2HG LYS 37 -1.867 -5.711 9.904 222 HG3 LYS 37 1HG LYS 37 -3.426 -5.030 9.434 223 HD2 LYS 37 2HD LYS 37 -4.503 -7.056 9.537 224 HD3 LYS 37 1HD LYS 37 -3.070 -7.960 9.046 225 HE2 LYS 37 2HE LYS 37 -2.675 -8.461 11.202 226 HE3 LYS 37 1HE LYS 37 -2.464 -6.743 11.540 227 HZ1 LYS 37 3HZ LYS 37 -5.142 -7.986 11.378 228 HZ2 LYS 37 1HZ LYS 37 -4.710 -6.503 12.079 229 HZ3 LYS 37 2HZ LYS 37 -4.254 -7.959 12.826 230 H PHE 38 H PHE 38 0.127 -4.152 7.745 231 HA PHE 38 HA PHE 38 0.922 -3.355 5.052 232 HB2 PHE 38 2HB PHE 38 2.320 -3.769 7.675 233 HB3 PHE 38 1HB PHE 38 3.276 -3.695 6.199 234 HD1 PHE 38 2HD PHE 38 2.085 -1.751 4.515 235 HD2 PHE 38 1HD PHE 38 2.366 -1.727 8.800 236 HE1 PHE 38 2HE PHE 38 1.916 0.723 4.512 237 HE2 PHE 38 1HE PHE 38 2.197 0.747 8.797 238 HZ PHE 38 HZ PHE 38 1.971 1.972 6.654 239 H SER 39 H SER 39 1.033 -4.909 3.486 240 HA SER 39 HA SER 39 1.247 -7.705 3.979 241 HB2 SER 39 2HB SER 39 2.245 -6.302 1.488 242 HB3 SER 39 1HB SER 39 1.625 -7.945 1.620 243 HG SER 39 HG SER 39 0.164 -6.189 0.828 244 H ARG 40 H ARG 40 3.162 -9.096 3.488 245 HA ARG 40 HA ARG 40 5.500 -8.120 4.859 246 HB2 ARG 40 2HB ARG 40 5.259 -10.568 3.077 247 HB3 ARG 40 1HB ARG 40 6.495 -10.280 4.303 248 HG2 ARG 40 2HG ARG 40 4.439 -10.008 5.915 249 HG3 ARG 40 1HG ARG 40 3.581 -10.915 4.670 250 HD2 ARG 40 2HD ARG 40 6.238 -11.936 5.604 251 HD3 ARG 40 1HD ARG 40 4.832 -12.179 6.639 252 HE ARG 40 HE ARG 40 4.925 -13.141 3.806 253 HH11 ARG 40 1HH2 ARG 40 5.496 -14.557 6.646 254 HH12 ARG 40 2HH2 ARG 40 4.107 -15.591 6.685 255 HH21 ARG 40 1HH1 ARG 40 2.512 -13.987 4.056 256 HH22 ARG 40 2HH1 ARG 40 2.418 -15.269 5.218 257 H ALA 41 H ALA 41 7.740 -8.263 3.761 258 HA ALA 41 HA ALA 41 7.766 -6.431 1.519 259 HB1 ALA 41 1HB ALA 41 9.568 -6.900 3.406 260 HB2 ALA 41 2HB ALA 41 10.075 -6.378 1.800 261 HB3 ALA 41 3HB ALA 41 10.163 -8.083 2.241 262 H GLY 42 H GLY 42 9.170 -7.041 -0.474 263 HA2 GLY 42 1HA GLY 42 9.453 -8.413 -2.366 264 HA3 GLY 42 2HA GLY 42 9.130 -9.803 -1.340 265 H LYS 43 H LYS 43 6.747 -7.398 -1.032 266 HA LYS 43 HA LYS 43 4.728 -9.146 -2.152 267 HB2 LYS 43 2HB LYS 43 3.970 -7.678 -0.437 268 HB3 LYS 43 1HB LYS 43 4.691 -6.272 -1.220 269 HG2 LYS 43 2HG LYS 43 2.248 -6.310 -1.570 270 HG3 LYS 43 1HG LYS 43 3.107 -6.492 -3.096 271 HD2 LYS 43 2HD LYS 43 1.767 -8.299 -3.400 272 HD3 LYS 43 1HD LYS 43 2.873 -9.102 -2.285 273 HE2 LYS 43 2HE LYS 43 1.370 -9.075 -0.569 274 HE3 LYS 43 1HE LYS 43 0.740 -7.489 -1.014 275 HZ1 LYS 43 3HZ LYS 43 0.215 -9.814 -2.738 276 HZ2 LYS 43 1HZ LYS 43 -0.685 -8.388 -2.559 277 HZ3 LYS 43 2HZ LYS 43 -0.722 -9.572 -1.342 278 H ILE 44 H ILE 44 4.980 -9.538 -4.324 279 HA ILE 44 HA ILE 44 5.979 -7.709 -6.224 280 HB ILE 44 HB ILE 44 5.807 -10.070 -6.752 281 HG12 ILE 44 2HG1 ILE 44 4.680 -9.933 -8.961 282 HG13 ILE 44 1HG1 ILE 44 3.931 -8.413 -8.471 283 HG21 ILE 44 1HG2 ILE 44 3.737 -11.246 -6.889 284 HG22 ILE 44 2HG2 ILE 44 2.799 -9.756 -6.815 285 HG23 ILE 44 3HG2 ILE 44 3.656 -10.329 -5.384 286 HD11 ILE 44 3HD1 ILE 44 6.912 -8.933 -8.680 287 HD12 ILE 44 1HD1 ILE 44 6.178 -7.419 -8.152 288 HD13 ILE 44 2HD1 ILE 44 5.950 -7.979 -9.809 289 H CYS 45 H CYS 45 4.840 -5.694 -5.566 290 HA CYS 45 HA CYS 45 1.980 -5.410 -5.842 291 HB2 CYS 45 2HB CYS 45 2.551 -2.939 -5.924 292 HB3 CYS 45 1HB CYS 45 3.167 -3.796 -4.510 293 H ARG 46 H ARG 46 4.731 -4.814 -7.993 294 HA ARG 46 HA ARG 46 2.809 -4.763 -10.276 295 HB2 ARG 46 2HB ARG 46 5.247 -2.975 -10.125 296 HB3 ARG 46 1HB ARG 46 3.931 -2.912 -11.298 297 HG2 ARG 46 2HG ARG 46 2.722 -2.713 -8.749 298 HG3 ARG 46 1HG ARG 46 4.112 -1.626 -8.722 299 HD2 ARG 46 2HD ARG 46 2.133 -1.664 -11.008 300 HD3 ARG 46 1HD ARG 46 1.925 -0.627 -9.597 301 HE ARG 46 HE ARG 46 4.517 -0.108 -10.466 302 HH11 ARG 46 1HH1 ARG 46 1.314 0.741 -11.094 303 HH12 ARG 46 2HH1 ARG 46 1.658 1.655 -12.524 304 HH21 ARG 46 1HH2 ARG 46 4.997 0.722 -12.634 305 HH22 ARG 46 2HH2 ARG 46 3.744 1.644 -13.396 306 H ILE 47 H ILE 47 3.660 -5.683 -12.211 307 HA ILE 47 HA ILE 47 6.135 -7.290 -11.765 308 HB ILE 47 HB ILE 47 3.889 -8.402 -12.340 309 HG12 ILE 47 2HG1 ILE 47 5.081 -9.840 -14.169 310 HG13 ILE 47 1HG1 ILE 47 6.471 -8.804 -13.839 311 HG21 ILE 47 1HG2 ILE 47 4.591 -7.212 -15.041 312 HG22 ILE 47 2HG2 ILE 47 3.184 -6.797 -14.062 313 HG23 ILE 47 3HG2 ILE 47 3.331 -8.412 -14.756 314 HD11 ILE 47 3HD1 ILE 47 5.169 -9.768 -11.397 315 HD12 ILE 47 1HD1 ILE 47 6.874 -9.805 -11.850 316 HD13 ILE 47 2HD1 ILE 47 5.786 -11.076 -12.407 317 H ALA 48 H ALA 48 7.776 -7.286 -13.376 318 HA ALA 48 HA ALA 48 7.501 -5.135 -15.436 319 HB1 ALA 48 1HB ALA 48 10.153 -5.839 -14.203 320 HB2 ALA 48 2HB ALA 48 9.067 -4.723 -13.375 321 HB3 ALA 48 3HB ALA 48 9.659 -4.340 -14.992 322 H ARG 49 H ARG 49 7.680 -5.962 -17.452 323 HA ARG 49 HA ARG 49 9.150 -8.543 -17.782 324 HB2 ARG 49 2HB ARG 49 7.002 -7.276 -19.510 325 HB3 ARG 49 1HB ARG 49 7.811 -8.804 -19.859 326 HG2 ARG 49 2HG ARG 49 6.568 -9.937 -18.340 327 HG3 ARG 49 1HG ARG 49 6.729 -8.661 -17.133 328 HD2 ARG 49 2HD ARG 49 4.697 -7.827 -17.640 329 HD3 ARG 49 1HD ARG 49 5.084 -7.784 -19.359 330 HE ARG 49 HE ARG 49 3.602 -9.897 -17.985 331 HH11 ARG 49 1HH1 ARG 49 2.890 -8.971 -20.708 332 HH12 ARG 49 2HH1 ARG 49 3.492 -10.247 -21.714 333 HH21 ARG 49 1HH2 ARG 49 5.549 -11.574 -19.258 334 HH22 ARG 49 2HH2 ARG 49 4.997 -11.719 -20.893 335 H GLY 50 H GLY 50 11.017 -8.484 -18.950 336 HA2 GLY 50 2HA GLY 50 11.778 -7.414 -21.260 337 HA3 GLY 50 1HA GLY 50 11.720 -5.936 -20.301 338 H ASP 51 H ASP 51 13.383 -5.526 -18.864 339 HA ASP 51 HA ASP 51 15.303 -7.638 -18.159 340 HB2 ASP 51 2HB ASP 51 17.221 -6.599 -19.163 341 HB3 ASP 51 1HB ASP 51 16.009 -6.774 -20.432 342 H TRP 52 H TRP 52 13.604 -6.142 -16.552 343 HA TRP 52 HA TRP 52 15.566 -4.457 -15.063 344 HB2 TRP 52 2HB TRP 52 13.240 -3.258 -14.369 345 HB3 TRP 52 1HB TRP 52 14.235 -2.708 -15.715 346 HD1 TRP 52 HD TRP 52 11.685 -5.613 -15.404 347 HE1 TRP 52 1HE TRP 52 10.043 -5.447 -17.384 348 HE3 TRP 52 3HE TRP 52 13.459 -1.393 -17.672 349 HZ2 TRP 52 2HZ TRP 52 9.546 -3.750 -19.629 350 HZ3 TRP 52 3HZ TRP 52 12.381 -0.525 -19.727 351 HH2 TRP 52 HH TRP 52 10.429 -1.697 -20.709 352 H ASN 53 H ASN 53 14.085 -3.931 -12.814 353 HA ASN 53 HA ASN 53 13.680 -6.676 -11.722 354 HB2 ASN 53 2HB ASN 53 14.600 -4.073 -10.572 355 HB3 ASN 53 1HB ASN 53 13.751 -5.194 -9.506 356 HD21 ASN 53 1HD2 ASN 53 15.398 -6.204 -8.316 357 HD22 ASN 53 2HD2 ASN 53 16.764 -6.940 -9.003 358 H ASP 54 H ASP 54 11.746 -7.204 -10.668 359 HA ASP 54 HA ASP 54 9.394 -5.719 -11.451 360 HB2 ASP 54 2HB ASP 54 9.607 -7.875 -9.329 361 HB3 ASP 54 1HB ASP 54 8.157 -7.392 -10.211 362 H ASP 55 H ASP 55 7.713 -5.309 -9.506 363 HA ASP 55 HA ASP 55 9.155 -3.522 -7.598 364 HB2 ASP 55 2HB ASP 55 6.219 -3.464 -8.346 365 HB3 ASP 55 1HB ASP 55 7.118 -2.229 -7.462 366 H ARG 56 H ARG 56 9.257 -4.250 -5.531 367 HA ARG 56 HA ARG 56 7.048 -6.012 -4.562 368 HB2 ARG 56 2HB ARG 56 9.845 -6.295 -3.524 369 HB3 ARG 56 1HB ARG 56 8.536 -7.474 -3.560 370 HG2 ARG 56 2HG ARG 56 9.037 -6.775 -6.254 371 HG3 ARG 56 1HG ARG 56 10.611 -7.049 -5.507 372 HD2 ARG 56 2HD ARG 56 9.901 -9.233 -4.702 373 HD3 ARG 56 1HD ARG 56 8.264 -8.954 -5.299 374 HE ARG 56 HE ARG 56 10.452 -8.873 -7.295 375 HH11 ARG 56 1HH2 ARG 56 8.187 -10.816 -5.601 376 HH12 ARG 56 2HH2 ARG 56 7.807 -11.812 -6.966 377 HH21 ARG 56 1HH1 ARG 56 9.816 -10.030 -9.160 378 HH22 ARG 56 2HH1 ARG 56 8.731 -11.368 -8.981 379 H CYS 57 H CYS 57 6.039 -5.169 -2.824 380 HA CYS 57 HA CYS 57 6.775 -2.702 -1.638 381 HB2 CYS 57 2HB CYS 57 5.233 -4.859 -0.188 382 HB3 CYS 57 1HB CYS 57 5.088 -3.113 -0.005 383 H THR 58 H THR 58 7.897 -2.205 0.259 384 HA THR 58 HA THR 58 10.045 -3.976 0.995 385 HB THR 58 HB THR 58 10.717 -2.251 2.514 386 HG1 THR 58 1HG THR 58 8.947 -1.763 3.648 387 HG21 THR 58 3HG2 THR 58 10.407 -1.780 -0.108 388 HG22 THR 58 1HG2 THR 58 11.022 -0.551 0.998 389 HG23 THR 58 2HG2 THR 58 9.325 -0.535 0.517 390 H GLY 59 H GLY 59 6.811 -3.992 1.842 391 HA2 GLY 59 2HA GLY 59 5.946 -5.751 3.282 392 HA3 GLY 59 1HA GLY 59 7.430 -5.657 4.232 393 H GLN 60 H GLN 60 7.692 -3.050 4.858 394 HA GLN 60 HA GLN 60 5.382 -2.596 6.628 395 HB2 GLN 60 2HB GLN 60 7.879 -0.901 6.363 396 HB3 GLN 60 1HB GLN 60 6.764 -0.965 7.728 397 HG2 GLN 60 2HG GLN 60 8.409 -3.326 6.772 398 HG3 GLN 60 1HG GLN 60 8.879 -2.268 8.103 399 HE21 GLN 60 1HE2 GLN 60 8.673 -4.562 9.223 400 HE22 GLN 60 2HE2 GLN 60 7.151 -4.920 9.886 401 H SER 61 H SER 61 6.178 -1.769 3.490 402 HA SER 61 HA SER 61 5.001 0.950 3.625 403 HB2 SER 61 2HB SER 61 6.919 0.685 2.158 404 HB3 SER 61 1HB SER 61 6.146 -0.662 1.327 405 HG SER 61 HG SER 61 4.733 0.708 0.402 406 H ALA 62 H ALA 62 3.084 1.497 2.403 407 HA ALA 62 HA ALA 62 1.302 -0.860 1.948 408 HB1 ALA 62 1HB ALA 62 0.055 0.305 3.469 409 HB2 ALA 62 2HB ALA 62 -0.408 1.252 2.056 410 HB3 ALA 62 3HB ALA 62 0.873 1.828 3.122 411 H ASP 63 H ASP 63 2.529 2.135 0.564 412 HA ASP 63 HA ASP 63 0.933 1.651 -1.902 413 HB2 ASP 63 2HB ASP 63 2.542 4.012 -0.909 414 HB3 ASP 63 1HB ASP 63 1.940 3.913 -2.564 415 H CYS 64 H CYS 64 1.901 0.815 -3.701 416 HA CYS 64 HA CYS 64 4.753 0.107 -3.551 417 HB2 CYS 64 2HB CYS 64 3.237 -1.570 -4.448 418 HB3 CYS 64 1HB CYS 64 2.628 -0.430 -5.648 419 HA PRO 65 HA PRO 65 6.010 3.640 -5.805 420 HB2 PRO 65 2HB PRO 65 8.602 2.822 -6.106 421 HB3 PRO 65 1HB PRO 65 7.975 3.510 -4.609 422 HG2 PRO 65 2HG PRO 65 8.684 0.696 -5.252 423 HG3 PRO 65 1HG PRO 65 8.605 1.500 -3.676 424 HD2 PRO 65 2HD PRO 65 6.655 -0.245 -4.765 425 HD3 PRO 65 1HD PRO 65 6.469 0.782 -3.327 426 H ARG 66 H ARG 66 7.494 3.916 -7.919 427 HA ARG 66 HA ARG 66 7.068 1.653 -9.798 428 HB2 ARG 66 2HB ARG 66 6.091 3.176 -11.481 429 HB3 ARG 66 1HB ARG 66 5.087 3.101 -10.031 430 HG2 ARG 66 2HG ARG 66 6.921 5.148 -9.504 431 HG3 ARG 66 1HG ARG 66 6.467 5.384 -11.193 432 HD2 ARG 66 2HD ARG 66 4.051 5.185 -10.484 433 HD3 ARG 66 1HD ARG 66 4.606 5.202 -8.810 434 HE ARG 66 HE ARG 66 5.135 7.469 -10.690 435 HH11 ARG 66 1HH2 ARG 66 2.778 7.042 -8.594 436 HH12 ARG 66 2HH2 ARG 66 3.297 8.165 -7.382 437 HH21 ARG 66 1HH1 ARG 66 6.476 8.538 -8.711 438 HH22 ARG 66 2HH1 ARG 66 5.390 9.013 -7.449 439 H TYR 67 H TYR 67 8.929 1.340 -10.910 440 HA TYR 67 HA TYR 67 10.857 3.612 -11.075 441 HB2 TYR 67 2HB TYR 67 11.626 0.799 -11.757 442 HB3 TYR 67 1HB TYR 67 12.592 2.074 -11.014 443 HD1 TYR 67 2HD TYR 67 11.351 2.976 -8.700 444 HD2 TYR 67 1HD TYR 67 11.178 -0.989 -10.345 445 HE1 TYR 67 2HE TYR 67 10.825 2.067 -6.454 446 HE2 TYR 67 1HE TYR 67 10.652 -1.898 -8.097 447 HH TYR 67 HH TYR 67 11.068 -0.144 -5.265 448 H HIS 68 H HIS 68 8.565 2.044 -12.917 449 HA HIS 68 HA HIS 68 9.601 3.225 -15.380 450 HB2 HIS 68 2HB HIS 68 10.536 0.715 -14.898 451 HB3 HIS 68 1HB HIS 68 9.034 0.340 -15.743 452 HD1 HIS 68 1HD HIS 68 12.188 2.415 -16.195 453 HD2 HIS 68 2HD HIS 68 9.135 0.747 -18.493 454 HE1 HIS 68 1HE HIS 68 12.835 2.778 -18.618 Start of MODEL 7 1 H GLY 1 1HT GLY 1 1.203 17.883 3.224 2 HA2 GLY 1 1HA GLY 1 2.398 16.441 4.378 3 HA3 GLY 1 2HA GLY 1 1.400 16.742 5.802 4 H LYS 2 H LYS 2 1.342 14.498 6.363 5 HA LYS 2 HA LYS 2 -0.192 12.784 4.451 6 HB2 LYS 2 2HB LYS 2 0.801 10.926 6.028 7 HB3 LYS 2 1HB LYS 2 1.817 11.637 4.774 8 HG2 LYS 2 2HG LYS 2 2.874 13.109 6.348 9 HG3 LYS 2 1HG LYS 2 1.710 12.698 7.607 10 HD2 LYS 2 2HD LYS 2 3.451 10.584 6.342 11 HD3 LYS 2 1HD LYS 2 4.024 11.547 7.705 12 HE2 LYS 2 2HE LYS 2 1.318 10.308 7.936 13 HE3 LYS 2 1HE LYS 2 2.717 9.242 8.070 14 HZ1 LYS 2 3HZ LYS 2 1.875 10.301 10.192 15 HZ2 LYS 2 1HZ LYS 2 2.512 11.761 9.608 16 HZ3 LYS 2 2HZ LYS 2 3.540 10.437 9.885 17 H GLU 3 H GLU 3 -1.941 14.256 5.675 18 HA GLU 3 HA GLU 3 -2.713 12.893 8.215 19 HB2 GLU 3 2HB GLU 3 -4.326 14.844 8.418 20 HB3 GLU 3 1HB GLU 3 -2.619 15.282 8.484 21 HG2 GLU 3 2HG GLU 3 -2.648 16.276 6.397 22 HG3 GLU 3 1HG GLU 3 -3.949 15.242 5.808 23 H CYS 4 H CYS 4 -3.221 12.437 5.053 24 HA CYS 4 HA CYS 4 -5.969 11.407 5.543 25 HB2 CYS 4 2HB CYS 4 -5.062 13.140 3.244 26 HB3 CYS 4 1HB CYS 4 -6.457 12.081 3.097 27 H ASP 5 H ASP 5 -4.788 9.391 5.782 28 HA ASP 5 HA ASP 5 -3.200 8.304 3.616 29 HB2 ASP 5 2HB ASP 5 -3.751 7.581 6.266 30 HB3 ASP 5 1HB ASP 5 -4.481 6.297 5.301 31 H CYS 6 H CYS 6 -6.587 8.481 4.345 32 HA CYS 6 HA CYS 6 -7.247 6.415 2.324 33 HB2 CYS 6 2HB CYS 6 -8.422 7.024 4.687 34 HB3 CYS 6 1HB CYS 6 -9.405 7.995 3.596 35 H SER 7 H SER 7 -8.743 6.927 0.583 36 HA SER 7 HA SER 7 -8.533 9.780 -0.291 37 HB2 SER 7 2HB SER 7 -7.351 8.558 -1.914 38 HB3 SER 7 1HB SER 7 -8.438 7.176 -1.802 39 HG SER 7 HG SER 7 -9.369 8.068 -3.462 40 H SER 8 H SER 8 -10.626 7.193 0.551 41 HA SER 8 HA SER 8 -12.954 8.783 -0.448 42 HB2 SER 8 2HB SER 8 -12.736 5.771 -0.177 43 HB3 SER 8 1HB SER 8 -14.182 6.646 -0.672 44 HG SER 8 HG SER 8 -13.148 7.296 -2.510 45 HA PRO 9 HA PRO 9 -14.027 8.856 3.840 46 HB2 PRO 9 2HB PRO 9 -16.545 9.908 3.519 47 HB3 PRO 9 1HB PRO 9 -15.060 10.866 3.393 48 HG2 PRO 9 2HG PRO 9 -16.872 9.919 1.223 49 HG3 PRO 9 1HG PRO 9 -15.792 11.323 1.250 50 HD2 PRO 9 2HD PRO 9 -15.280 8.853 -0.043 51 HD3 PRO 9 1HD PRO 9 -14.098 10.145 0.259 52 H GLU 10 H GLU 10 -15.872 7.130 1.424 53 HA GLU 10 HA GLU 10 -17.723 5.907 3.318 54 HB2 GLU 10 2HB GLU 10 -18.032 6.247 0.760 55 HB3 GLU 10 1HB GLU 10 -17.062 4.782 0.601 56 HG2 GLU 10 2HG GLU 10 -18.941 4.195 2.604 57 HG3 GLU 10 1HG GLU 10 -19.850 5.050 1.357 58 H ASN 11 H ASN 11 -14.475 5.539 2.939 59 HA ASN 11 HA ASN 11 -14.437 2.602 3.248 60 HB2 ASN 11 2HB ASN 11 -12.723 3.570 1.828 61 HB3 ASN 11 1HB ASN 11 -12.228 4.669 3.113 62 HD21 ASN 11 1HD2 ASN 11 -10.148 3.221 2.304 63 HD22 ASN 11 2HD2 ASN 11 -9.820 1.905 3.322 64 HA PRO 12 HA PRO 12 -14.557 3.295 7.669 65 HB2 PRO 12 2HB PRO 12 -14.748 0.633 8.320 66 HB3 PRO 12 1HB PRO 12 -16.123 1.612 7.778 67 HG2 PRO 12 2HG PRO 12 -14.588 -0.460 6.279 68 HG3 PRO 12 1HG PRO 12 -16.266 0.066 6.067 69 HD2 PRO 12 2HD PRO 12 -14.073 0.830 4.451 70 HD3 PRO 12 1HD PRO 12 -15.677 1.595 4.465 71 H CYS 13 H CYS 13 -12.442 0.857 6.140 72 HA CYS 13 HA CYS 13 -10.728 0.287 8.280 73 HB2 CYS 13 2HB CYS 13 -10.448 0.326 5.326 74 HB3 CYS 13 1HB CYS 13 -8.941 0.353 6.243 75 H CYS 14 H CYS 14 -11.115 3.273 6.582 76 HA CYS 14 HA CYS 14 -8.707 4.327 8.002 77 HB2 CYS 14 2HB CYS 14 -8.914 6.183 6.210 78 HB3 CYS 14 1HB CYS 14 -8.243 4.628 5.722 79 H ASP 15 H ASP 15 -8.934 6.267 9.139 80 HA ASP 15 HA ASP 15 -11.605 6.855 10.119 81 HB2 ASP 15 2HB ASP 15 -9.312 7.091 11.344 82 HB3 ASP 15 1HB ASP 15 -9.218 8.647 10.516 83 H ALA 16 H ALA 16 -13.031 8.225 9.164 84 HA ALA 16 HA ALA 16 -12.412 9.672 6.768 85 HB1 ALA 16 1HB ALA 16 -14.717 10.063 8.703 86 HB2 ALA 16 2HB ALA 16 -14.705 8.947 7.338 87 HB3 ALA 16 3HB ALA 16 -14.644 10.687 7.056 88 H ALA 17 H ALA 17 -12.728 10.695 10.166 89 HA ALA 17 HA ALA 17 -12.396 13.485 9.747 90 HB1 ALA 17 1HB ALA 17 -12.456 11.693 11.977 91 HB2 ALA 17 2HB ALA 17 -12.653 13.446 11.983 92 HB3 ALA 17 3HB ALA 17 -11.047 12.738 12.152 93 H THR 18 H THR 18 -9.868 11.195 10.856 94 HA THR 18 HA THR 18 -7.788 13.064 9.946 95 HB THR 18 HB THR 18 -6.230 11.561 10.985 96 HG1 THR 18 1HG THR 18 -8.104 9.647 11.639 97 HG21 THR 18 3HG2 THR 18 -6.944 12.254 12.997 98 HG22 THR 18 1HG2 THR 18 -8.138 10.957 13.024 99 HG23 THR 18 2HG2 THR 18 -8.554 12.524 12.330 100 H CYS 19 H CYS 19 -9.728 11.184 8.244 101 HA CYS 19 HA CYS 19 -9.523 9.782 6.345 102 HB2 CYS 19 2HB CYS 19 -7.663 10.998 4.784 103 HB3 CYS 19 1HB CYS 19 -9.314 11.565 4.949 104 H LYS 20 H LYS 20 -7.674 9.023 8.562 105 HA LYS 20 HA LYS 20 -5.499 7.861 6.862 106 HB2 LYS 20 2HB LYS 20 -5.487 8.786 9.732 107 HB3 LYS 20 1HB LYS 20 -4.310 7.606 9.154 108 HG2 LYS 20 2HG LYS 20 -3.724 9.234 7.304 109 HG3 LYS 20 1HG LYS 20 -4.727 10.425 8.129 110 HD2 LYS 20 2HD LYS 20 -2.747 9.010 9.823 111 HD3 LYS 20 1HD LYS 20 -2.083 10.126 8.628 112 HE2 LYS 20 2HE LYS 20 -4.010 11.711 9.554 113 HE3 LYS 20 1HE LYS 20 -3.837 10.693 10.984 114 HZ1 LYS 20 3HZ LYS 20 -1.352 11.594 9.804 115 HZ2 LYS 20 1HZ LYS 20 -1.817 11.518 11.433 116 HZ3 LYS 20 2HZ LYS 20 -2.313 12.826 10.469 117 H LEU 21 H LEU 21 -5.595 6.568 10.009 118 HA LEU 21 HA LEU 21 -7.157 4.229 9.000 119 HB2 LEU 21 2HB LEU 21 -4.533 4.409 10.405 120 HB3 LEU 21 1HB LEU 21 -5.594 3.070 10.844 121 HG LEU 21 HG LEU 21 -5.663 3.289 8.012 122 HD11 LEU 21 1HD1 LEU 21 -3.631 4.317 7.681 123 HD12 LEU 21 2HD1 LEU 21 -3.056 2.661 7.881 124 HD13 LEU 21 3HD1 LEU 21 -2.990 3.787 9.237 125 HD21 LEU 21 3HD2 LEU 21 -5.407 1.347 10.021 126 HD22 LEU 21 1HD2 LEU 21 -3.956 1.168 9.035 127 HD23 LEU 21 2HD2 LEU 21 -5.549 1.050 8.289 128 H ARG 22 H ARG 22 -9.027 4.016 10.128 129 HA ARG 22 HA ARG 22 -9.242 5.287 12.778 130 HB2 ARG 22 2HB ARG 22 -11.149 5.750 11.546 131 HB3 ARG 22 1HB ARG 22 -11.198 4.160 10.805 132 HG2 ARG 22 2HG ARG 22 -12.578 3.395 12.424 133 HG3 ARG 22 1HG ARG 22 -11.482 3.948 13.689 134 HD2 ARG 22 2HD ARG 22 -12.687 5.815 14.074 135 HD3 ARG 22 1HD ARG 22 -12.880 6.146 12.353 136 HE ARG 22 HE ARG 22 -14.569 4.089 13.715 137 HH11 ARG 22 1HH2 ARG 22 -14.161 5.839 10.910 138 HH12 ARG 22 2HH2 ARG 22 -15.787 6.430 10.817 139 HH21 ARG 22 1HH1 ARG 22 -16.655 5.306 13.982 140 HH22 ARG 22 2HH1 ARG 22 -17.200 6.128 12.558 141 HA PRO 23 HA PRO 23 -10.188 0.805 14.110 142 HB2 PRO 23 2HB PRO 23 -9.914 -1.189 12.233 143 HB3 PRO 23 1HB PRO 23 -11.440 -0.347 12.560 144 HG2 PRO 23 2HG PRO 23 -9.552 0.000 10.265 145 HG3 PRO 23 1HG PRO 23 -11.311 0.214 10.315 146 HD2 PRO 23 2HD PRO 23 -9.452 2.301 10.373 147 HD3 PRO 23 1HD PRO 23 -11.139 2.422 10.906 148 H GLY 24 H GLY 24 -8.747 -1.259 14.438 149 HA2 GLY 24 2HA GLY 24 -5.979 -0.366 14.545 150 HA3 GLY 24 1HA GLY 24 -6.584 -1.923 15.109 151 H ALA 25 H ALA 25 -6.154 -0.186 12.001 152 HA ALA 25 HA ALA 25 -5.227 -2.787 10.845 153 HB1 ALA 25 1HB ALA 25 -7.363 -1.301 9.990 154 HB2 ALA 25 2HB ALA 25 -6.437 -2.389 8.956 155 HB3 ALA 25 3HB ALA 25 -6.072 -0.664 8.972 156 H GLN 26 H GLN 26 -3.495 -2.579 9.212 157 HA GLN 26 HA GLN 26 -1.546 -0.534 10.025 158 HB2 GLN 26 2HB GLN 26 -1.489 -3.124 8.666 159 HB3 GLN 26 1HB GLN 26 -0.446 -1.930 7.890 160 HG2 GLN 26 2HG GLN 26 1.063 -2.445 9.494 161 HG3 GLN 26 1HG GLN 26 0.036 -1.510 10.578 162 HE21 GLN 26 1HE2 GLN 26 1.574 -3.739 11.531 163 HE22 GLN 26 2HE2 GLN 26 0.497 -4.968 11.994 164 H CYS 27 H CYS 27 -3.428 -1.386 7.143 165 HA CYS 27 HA CYS 27 -2.952 1.362 6.133 166 HB2 CYS 27 2HB CYS 27 -1.444 0.507 4.651 167 HB3 CYS 27 1HB CYS 27 -1.981 -1.145 4.905 168 H GLY 28 H GLY 28 -4.725 2.164 4.930 169 HA2 GLY 28 2HA GLY 28 -7.215 0.618 5.255 170 HA3 GLY 28 1HA GLY 28 -7.111 2.313 4.794 171 H GLU 29 H GLU 29 -5.156 1.980 2.766 172 HA GLU 29 HA GLU 29 -6.341 0.087 0.838 173 HB2 GLU 29 2HB GLU 29 -6.751 1.845 -0.794 174 HB3 GLU 29 1HB GLU 29 -7.669 2.174 0.665 175 HG2 GLU 29 2HG GLU 29 -6.626 4.146 0.921 176 HG3 GLU 29 1HG GLU 29 -5.057 3.339 0.918 177 H GLY 30 H GLY 30 -4.893 -0.336 -0.946 178 HA2 GLY 30 2HA GLY 30 -2.632 0.981 -1.770 179 HA3 GLY 30 1HA GLY 30 -2.086 0.184 -0.295 180 H LEU 31 H LEU 31 -0.899 -0.538 -2.668 181 HA LEU 31 HA LEU 31 -2.177 -2.753 -3.992 182 HB2 LEU 31 2HB LEU 31 0.584 -1.616 -3.876 183 HB3 LEU 31 1HB LEU 31 0.409 -3.272 -4.456 184 HG LEU 31 HG LEU 31 -0.971 -0.814 -5.565 185 HD11 LEU 31 1HD1 LEU 31 1.511 -2.131 -6.145 186 HD12 LEU 31 2HD1 LEU 31 0.803 -0.726 -6.943 187 HD13 LEU 31 3HD1 LEU 31 0.420 -2.351 -7.513 188 HD21 LEU 31 3HD2 LEU 31 -2.601 -2.435 -5.897 189 HD22 LEU 31 1HD2 LEU 31 -1.428 -3.751 -5.932 190 HD23 LEU 31 2HD2 LEU 31 -1.607 -2.695 -7.332 191 H CYS 32 H CYS 32 0.267 -2.576 -1.397 192 HA CYS 32 HA CYS 32 -0.071 -5.488 -0.947 193 HB2 CYS 32 2HB CYS 32 1.887 -3.533 0.291 194 HB3 CYS 32 1HB CYS 32 1.901 -5.285 0.501 195 H CYS 33 H CYS 33 -2.371 -4.437 -0.242 196 HA CYS 33 HA CYS 33 -2.208 -4.215 2.730 197 HB2 CYS 33 2HB CYS 33 -4.004 -2.676 0.840 198 HB3 CYS 33 1HB CYS 33 -4.234 -2.723 2.587 199 H GLU 34 H GLU 34 -2.712 -6.445 2.968 200 HA GLU 34 HA GLU 34 -5.264 -7.394 1.783 201 HB2 GLU 34 2HB GLU 34 -3.145 -8.868 3.384 202 HB3 GLU 34 1HB GLU 34 -4.568 -9.610 2.651 203 HG2 GLU 34 2HG GLU 34 -3.639 -8.418 0.463 204 HG3 GLU 34 1HG GLU 34 -2.109 -8.527 1.337 205 H GLN 35 H GLN 35 -7.045 -6.978 2.996 206 HA GLN 35 HA GLN 35 -8.438 -6.908 4.888 207 HB2 GLN 35 2HB GLN 35 -7.094 -9.007 5.530 208 HB3 GLN 35 1HB GLN 35 -6.104 -7.931 6.516 209 HG2 GLN 35 2HG GLN 35 -7.803 -7.507 8.015 210 HG3 GLN 35 1HG GLN 35 -9.069 -7.727 6.806 211 HE21 GLN 35 1HE2 GLN 35 -6.877 -9.468 9.000 212 HE22 GLN 35 2HE2 GLN 35 -7.692 -10.954 8.907 213 H CYS 36 H CYS 36 -6.600 -4.775 4.007 214 HA CYS 36 HA CYS 36 -6.031 -2.619 4.714 215 HB2 CYS 36 2HB CYS 36 -7.547 -3.441 7.211 216 HB3 CYS 36 1HB CYS 36 -7.056 -1.793 6.805 217 H LYS 37 H LYS 37 -4.433 -5.120 5.402 218 HA LYS 37 HA LYS 37 -2.803 -3.907 7.600 219 HB2 LYS 37 2HB LYS 37 -3.795 -6.620 7.201 220 HB3 LYS 37 1HB LYS 37 -2.039 -6.589 7.361 221 HG2 LYS 37 2HG LYS 37 -2.134 -6.017 9.551 222 HG3 LYS 37 1HG LYS 37 -3.417 -4.838 9.275 223 HD2 LYS 37 2HD LYS 37 -4.831 -6.301 10.251 224 HD3 LYS 37 1HD LYS 37 -4.640 -7.311 8.817 225 HE2 LYS 37 2HE LYS 37 -2.849 -7.416 11.264 226 HE3 LYS 37 1HE LYS 37 -4.141 -8.564 10.906 227 HZ1 LYS 37 3HZ LYS 37 -1.667 -8.997 10.171 228 HZ2 LYS 37 1HZ LYS 37 -2.141 -8.070 8.832 229 HZ3 LYS 37 2HZ LYS 37 -2.979 -9.497 9.215 230 H PHE 38 H PHE 38 -0.418 -4.320 7.343 231 HA PHE 38 HA PHE 38 0.376 -3.821 4.580 232 HB2 PHE 38 2HB PHE 38 1.930 -4.158 7.153 233 HB3 PHE 38 1HB PHE 38 2.721 -3.915 5.598 234 HD1 PHE 38 1HD PHE 38 0.747 -2.035 4.315 235 HD2 PHE 38 2HD PHE 38 2.409 -2.125 8.275 236 HE1 PHE 38 1HE PHE 38 0.396 0.408 4.521 237 HE2 PHE 38 2HE PHE 38 2.050 0.319 8.481 238 HZ PHE 38 HZ PHE 38 1.043 1.586 6.603 239 H SER 39 H SER 39 0.862 -5.376 3.121 240 HA SER 39 HA SER 39 0.770 -8.161 3.721 241 HB2 SER 39 2HB SER 39 2.292 -6.977 1.395 242 HB3 SER 39 1HB SER 39 1.445 -8.520 1.468 243 HG SER 39 HG SER 39 -0.139 -7.403 0.646 244 H ARG 40 H ARG 40 3.200 -9.031 2.340 245 HA ARG 40 HA ARG 40 5.114 -8.591 4.587 246 HB2 ARG 40 2HB ARG 40 4.532 -10.878 2.755 247 HB3 ARG 40 1HB ARG 40 6.200 -10.672 3.289 248 HG2 ARG 40 2HG ARG 40 4.843 -10.308 5.637 249 HG3 ARG 40 1HG ARG 40 3.822 -11.497 4.828 250 HD2 ARG 40 2HD ARG 40 6.658 -12.118 4.538 251 HD3 ARG 40 1HD ARG 40 6.169 -12.041 6.230 252 HE ARG 40 HE ARG 40 4.995 -14.047 5.886 253 HH11 ARG 40 1HH1 ARG 40 6.512 -13.372 3.020 254 HH12 ARG 40 2HH1 ARG 40 5.356 -14.156 1.995 255 HH21 ARG 40 1HH2 ARG 40 3.036 -14.634 4.528 256 HH22 ARG 40 2HH2 ARG 40 3.389 -14.871 2.848 257 H ALA 41 H ALA 41 7.410 -8.342 4.004 258 HA ALA 41 HA ALA 41 7.775 -6.505 1.795 259 HB1 ALA 41 1HB ALA 41 9.132 -6.883 4.090 260 HB2 ALA 41 2HB ALA 41 9.875 -6.145 2.672 261 HB3 ALA 41 3HB ALA 41 10.139 -7.854 3.015 262 H GLY 42 H GLY 42 9.440 -6.914 0.061 263 HA2 GLY 42 2HA GLY 42 10.288 -8.241 -1.691 264 HA3 GLY 42 1HA GLY 42 10.107 -9.644 -0.636 265 H LYS 43 H LYS 43 7.323 -7.661 -0.975 266 HA LYS 43 HA LYS 43 5.958 -9.844 -2.433 267 HB2 LYS 43 2HB LYS 43 4.628 -9.117 -0.651 268 HB3 LYS 43 1HB LYS 43 5.071 -7.428 -0.878 269 HG2 LYS 43 2HG LYS 43 2.757 -7.788 -1.608 270 HG3 LYS 43 1HG LYS 43 3.770 -7.393 -2.996 271 HD2 LYS 43 2HD LYS 43 3.496 -9.441 -3.936 272 HD3 LYS 43 1HD LYS 43 3.627 -10.273 -2.387 273 HE2 LYS 43 2HE LYS 43 1.341 -10.388 -3.540 274 HE3 LYS 43 1HE LYS 43 1.340 -9.858 -1.857 275 HZ1 LYS 43 3HZ LYS 43 1.726 -7.663 -3.615 276 HZ2 LYS 43 1HZ LYS 43 0.523 -7.899 -2.444 277 HZ3 LYS 43 2HZ LYS 43 0.305 -8.503 -4.016 278 H ILE 44 H ILE 44 5.949 -9.776 -4.609 279 HA ILE 44 HA ILE 44 6.737 -7.580 -6.209 280 HB ILE 44 HB ILE 44 6.663 -9.873 -7.067 281 HG12 ILE 44 2HG1 ILE 44 5.715 -9.400 -9.242 282 HG13 ILE 44 1HG1 ILE 44 4.659 -8.159 -8.564 283 HG21 ILE 44 1HG2 ILE 44 3.947 -9.703 -6.044 284 HG22 ILE 44 2HG2 ILE 44 4.880 -11.131 -6.492 285 HG23 ILE 44 3HG2 ILE 44 3.960 -10.257 -7.719 286 HD11 ILE 44 3HD1 ILE 44 6.321 -6.606 -8.500 287 HD12 ILE 44 1HD1 ILE 44 7.102 -7.649 -9.688 288 HD13 ILE 44 2HD1 ILE 44 7.528 -7.782 -7.981 289 H CYS 45 H CYS 45 5.546 -5.760 -5.262 290 HA CYS 45 HA CYS 45 2.680 -5.599 -5.259 291 HB2 CYS 45 2HB CYS 45 3.147 -3.076 -5.284 292 HB3 CYS 45 1HB CYS 45 3.852 -3.986 -3.949 293 H ARG 46 H ARG 46 5.045 -5.352 -7.775 294 HA ARG 46 HA ARG 46 2.931 -5.124 -9.784 295 HB2 ARG 46 2HB ARG 46 3.604 -2.727 -8.950 296 HB3 ARG 46 1HB ARG 46 5.054 -2.997 -9.917 297 HG2 ARG 46 2HG ARG 46 3.179 -3.797 -11.691 298 HG3 ARG 46 1HG ARG 46 2.244 -2.602 -10.793 299 HD2 ARG 46 2HD ARG 46 4.875 -1.555 -11.295 300 HD3 ARG 46 1HD ARG 46 4.174 -2.117 -12.813 301 HE ARG 46 HE ARG 46 2.381 -0.517 -12.531 302 HH11 ARG 46 1HH2 ARG 46 5.155 0.688 -11.448 303 HH12 ARG 46 2HH2 ARG 46 4.515 1.692 -10.190 304 HH21 ARG 46 1HH1 ARG 46 1.358 0.261 -10.293 305 HH22 ARG 46 2HH1 ARG 46 2.364 1.451 -9.536 306 H ILE 47 H ILE 47 3.577 -6.543 -11.333 307 HA ILE 47 HA ILE 47 6.321 -7.491 -11.451 308 HB ILE 47 HB ILE 47 4.290 -8.893 -11.986 309 HG12 ILE 47 2HG1 ILE 47 5.423 -9.628 -14.325 310 HG13 ILE 47 1HG1 ILE 47 6.714 -8.607 -13.689 311 HG21 ILE 47 1HG2 ILE 47 4.335 -7.291 -14.560 312 HG22 ILE 47 2HG2 ILE 47 3.112 -7.134 -13.299 313 HG23 ILE 47 3HG2 ILE 47 3.270 -8.647 -14.193 314 HD11 ILE 47 3HD1 ILE 47 7.074 -10.895 -12.933 315 HD12 ILE 47 1HD1 ILE 47 5.434 -10.975 -12.291 316 HD13 ILE 47 2HD1 ILE 47 6.620 -9.900 -11.550 317 H ALA 48 H ALA 48 7.808 -7.163 -13.196 318 HA ALA 48 HA ALA 48 7.170 -4.788 -14.900 319 HB1 ALA 48 1HB ALA 48 8.991 -4.649 -12.993 320 HB2 ALA 48 2HB ALA 48 9.309 -3.927 -14.570 321 HB3 ALA 48 3HB ALA 48 9.992 -5.503 -14.167 322 H ARG 49 H ARG 49 7.484 -5.051 -17.074 323 HA ARG 49 HA ARG 49 8.815 -7.582 -17.962 324 HB2 ARG 49 2HB ARG 49 6.693 -6.171 -19.570 325 HB3 ARG 49 1HB ARG 49 7.195 -7.862 -19.643 326 HG2 ARG 49 2HG ARG 49 5.447 -8.316 -18.290 327 HG3 ARG 49 1HG ARG 49 6.357 -7.522 -17.005 328 HD2 ARG 49 2HD ARG 49 4.503 -6.183 -16.918 329 HD3 ARG 49 1HD ARG 49 5.323 -5.348 -18.238 330 HE ARG 49 HE ARG 49 3.552 -6.040 -19.614 331 HH11 ARG 49 1HH2 ARG 49 2.701 -7.218 -16.681 332 HH12 ARG 49 2HH2 ARG 49 1.944 -8.671 -17.241 333 HH21 ARG 49 1HH1 ARG 49 3.126 -8.351 -20.485 334 HH22 ARG 49 2HH1 ARG 49 2.185 -9.314 -19.394 335 H GLY 50 H GLY 50 10.586 -7.235 -19.225 336 HA2 GLY 50 2HA GLY 50 11.113 -5.847 -21.413 337 HA3 GLY 50 1HA GLY 50 11.022 -4.494 -20.289 338 H ASP 51 H ASP 51 12.755 -4.115 -18.921 339 HA ASP 51 HA ASP 51 14.874 -6.131 -18.615 340 HB2 ASP 51 2HB ASP 51 15.094 -4.481 -20.788 341 HB3 ASP 51 1HB ASP 51 15.960 -3.554 -19.562 342 H TRP 52 H TRP 52 13.180 -4.956 -16.718 343 HA TRP 52 HA TRP 52 15.153 -3.355 -15.153 344 HB2 TRP 52 2HB TRP 52 12.838 -2.392 -14.149 345 HB3 TRP 52 1HB TRP 52 13.689 -1.620 -15.483 346 HD1 TRP 52 HD TRP 52 11.299 -4.675 -15.347 347 HE1 TRP 52 1HE TRP 52 9.492 -4.347 -17.156 348 HE3 TRP 52 3HE TRP 52 12.711 -0.126 -17.196 349 HZ2 TRP 52 2HZ TRP 52 8.741 -2.412 -19.125 350 HZ3 TRP 52 3HZ TRP 52 11.432 0.935 -19.034 351 HH2 TRP 52 HH TRP 52 9.451 -0.201 -20.000 352 H ASN 53 H ASN 53 14.399 -3.363 -12.731 353 HA ASN 53 HA ASN 53 14.061 -6.183 -11.999 354 HB2 ASN 53 2HB ASN 53 14.229 -5.176 -9.630 355 HB3 ASN 53 1HB ASN 53 15.647 -5.031 -10.668 356 HD21 ASN 53 1HD2 ASN 53 16.102 -3.099 -9.156 357 HD22 ASN 53 2HD2 ASN 53 15.393 -1.610 -9.557 358 H ASP 54 H ASP 54 12.467 -6.719 -10.197 359 HA ASP 54 HA ASP 54 9.821 -5.644 -10.962 360 HB2 ASP 54 2HB ASP 54 10.155 -7.733 -8.845 361 HB3 ASP 54 1HB ASP 54 8.927 -7.600 -10.103 362 H ASP 55 H ASP 55 8.289 -4.966 -9.270 363 HA ASP 55 HA ASP 55 9.672 -3.427 -7.153 364 HB2 ASP 55 2HB ASP 55 6.706 -3.426 -7.727 365 HB3 ASP 55 1HB ASP 55 7.670 -2.160 -6.966 366 H ARG 56 H ARG 56 9.837 -4.277 -5.139 367 HA ARG 56 HA ARG 56 7.796 -6.300 -4.302 368 HB2 ARG 56 2HB ARG 56 10.589 -6.151 -3.184 369 HB3 ARG 56 1HB ARG 56 9.455 -7.502 -3.143 370 HG2 ARG 56 2HG ARG 56 9.895 -6.787 -5.879 371 HG3 ARG 56 1HG ARG 56 11.464 -6.967 -5.092 372 HD2 ARG 56 2HD ARG 56 10.845 -9.181 -4.274 373 HD3 ARG 56 1HD ARG 56 9.222 -9.001 -4.940 374 HE ARG 56 HE ARG 56 10.938 -8.644 -7.114 375 HH11 ARG 56 1HH1 ARG 56 9.084 -11.024 -5.869 376 HH12 ARG 56 2HH1 ARG 56 10.067 -12.357 -6.371 377 HH21 ARG 56 1HH2 ARG 56 12.762 -10.373 -7.280 378 HH22 ARG 56 2HH2 ARG 56 12.149 -11.989 -7.171 379 H CYS 57 H CYS 57 6.521 -5.574 -2.690 380 HA CYS 57 HA CYS 57 6.866 -3.112 -1.338 381 HB2 CYS 57 2HB CYS 57 5.220 -5.562 -0.870 382 HB3 CYS 57 1HB CYS 57 5.362 -4.404 0.451 383 H THR 58 H THR 58 7.562 -2.677 0.841 384 HA THR 58 HA THR 58 9.828 -4.352 1.671 385 HB THR 58 HB THR 58 10.402 -2.562 3.135 386 HG1 THR 58 1HG THR 58 7.803 -1.524 2.688 387 HG21 THR 58 3HG2 THR 58 9.484 -0.544 1.450 388 HG22 THR 58 1HG2 THR 58 9.527 -1.973 0.417 389 HG23 THR 58 2HG2 THR 58 10.984 -1.451 1.262 390 H GLY 59 H GLY 59 6.563 -4.495 2.211 391 HA2 GLY 59 2HA GLY 59 5.489 -6.031 3.697 392 HA3 GLY 59 1HA GLY 59 6.973 -6.113 4.647 393 H GLN 60 H GLN 60 7.006 -3.031 4.483 394 HA GLN 60 HA GLN 60 5.024 -2.616 6.683 395 HB2 GLN 60 2HB GLN 60 7.671 -1.226 6.163 396 HB3 GLN 60 1HB GLN 60 6.550 -0.809 7.460 397 HG2 GLN 60 2HG GLN 60 6.950 -3.623 7.574 398 HG3 GLN 60 1HG GLN 60 8.542 -2.876 7.427 399 HE21 GLN 60 1HE2 GLN 60 7.922 -0.394 8.799 400 HE22 GLN 60 2HE2 GLN 60 7.662 -0.763 10.436 401 H SER 61 H SER 61 5.978 -1.687 3.523 402 HA SER 61 HA SER 61 4.475 0.872 3.690 403 HB2 SER 61 2HB SER 61 6.558 1.071 2.507 404 HB3 SER 61 1HB SER 61 6.215 -0.360 1.539 405 HG SER 61 HG SER 61 4.882 0.773 0.320 406 H ALA 62 H ALA 62 2.623 1.240 2.387 407 HA ALA 62 HA ALA 62 1.319 -1.264 1.402 408 HB1 ALA 62 1HB ALA 62 -0.188 -0.439 2.948 409 HB2 ALA 62 2HB ALA 62 -0.736 0.445 1.524 410 HB3 ALA 62 3HB ALA 62 0.314 1.234 2.701 411 H ASP 63 H ASP 63 2.078 2.100 0.578 412 HA ASP 63 HA ASP 63 0.880 1.795 -2.101 413 HB2 ASP 63 2HB ASP 63 2.485 4.076 -0.901 414 HB3 ASP 63 1HB ASP 63 1.621 4.126 -2.437 415 H CYS 64 H CYS 64 2.145 0.267 -3.191 416 HA CYS 64 HA CYS 64 4.969 0.045 -3.074 417 HB2 CYS 64 2HB CYS 64 3.623 -1.711 -4.080 418 HB3 CYS 64 1HB CYS 64 3.063 -0.610 -5.338 419 HA PRO 65 HA PRO 65 6.062 3.748 -5.198 420 HB2 PRO 65 2HB PRO 65 8.751 3.333 -4.916 421 HB3 PRO 65 1HB PRO 65 7.734 3.989 -3.634 422 HG2 PRO 65 2HG PRO 65 8.962 1.294 -3.889 423 HG3 PRO 65 1HG PRO 65 8.432 2.151 -2.432 424 HD2 PRO 65 2HD PRO 65 7.036 0.067 -3.752 425 HD3 PRO 65 1HD PRO 65 6.402 1.114 -2.464 426 H ARG 66 H ARG 66 8.445 3.849 -6.718 427 HA ARG 66 HA ARG 66 7.918 1.797 -8.834 428 HB2 ARG 66 2HB ARG 66 8.870 4.637 -9.292 429 HB3 ARG 66 1HB ARG 66 8.366 3.469 -10.513 430 HG2 ARG 66 2HG ARG 66 6.085 3.505 -9.693 431 HG3 ARG 66 1HG ARG 66 6.549 4.521 -8.327 432 HD2 ARG 66 2HD ARG 66 7.465 5.811 -10.695 433 HD3 ARG 66 1HD ARG 66 5.788 5.338 -10.967 434 HE ARG 66 HE ARG 66 5.830 6.488 -8.414 435 HH11 ARG 66 1HH1 ARG 66 7.940 8.281 -9.491 436 HH12 ARG 66 2HH1 ARG 66 7.018 9.558 -10.211 437 HH21 ARG 66 1HH2 ARG 66 4.062 7.748 -10.273 438 HH22 ARG 66 2HH2 ARG 66 4.824 9.257 -10.653 439 H TYR 67 H TYR 67 10.060 2.377 -10.494 440 HA TYR 67 HA TYR 67 12.526 2.429 -8.895 441 HB2 TYR 67 2HB TYR 67 11.591 -0.064 -10.341 442 HB3 TYR 67 1HB TYR 67 13.260 0.193 -9.831 443 HD1 TYR 67 1HD TYR 67 13.868 0.244 -7.462 444 HD2 TYR 67 2HD TYR 67 9.809 -0.406 -8.706 445 HE1 TYR 67 1HE TYR 67 13.288 -0.518 -5.175 446 HE2 TYR 67 2HE TYR 67 9.228 -1.168 -6.419 447 HH TYR 67 HH TYR 67 10.064 -1.791 -4.424 448 H HIS 68 H HIS 68 11.070 1.744 -12.081 449 HA HIS 68 HA HIS 68 13.477 2.978 -13.343 450 HB2 HIS 68 2HB HIS 68 11.660 0.800 -14.086 451 HB3 HIS 68 1HB HIS 68 11.914 1.958 -15.391 452 HD1 HIS 68 1HD HIS 68 14.029 1.681 -16.696 453 HD2 HIS 68 2HD HIS 68 14.278 -0.146 -12.957 454 HE1 HIS 68 1HE HIS 68 16.259 0.480 -16.631 Start of MODEL 8 1 H GLY 1 1HT GLY 1 -0.799 19.102 7.575 2 HA2 GLY 1 1HA GLY 1 0.815 18.840 5.197 3 HA3 GLY 1 2HA GLY 1 1.080 18.191 6.816 4 H LYS 2 H LYS 2 0.941 16.008 6.924 5 HA LYS 2 HA LYS 2 -0.699 14.605 4.855 6 HB2 LYS 2 2HB LYS 2 1.641 13.601 6.506 7 HB3 LYS 2 1HB LYS 2 0.750 12.646 5.319 8 HG2 LYS 2 2HG LYS 2 2.462 13.395 3.966 9 HG3 LYS 2 1HG LYS 2 1.339 14.740 3.761 10 HD2 LYS 2 2HD LYS 2 3.274 15.892 4.322 11 HD3 LYS 2 1HD LYS 2 2.561 15.666 5.920 12 HE2 LYS 2 2HE LYS 2 4.015 13.882 6.448 13 HE3 LYS 2 1HE LYS 2 4.459 13.630 4.760 14 HZ1 LYS 2 3HZ LYS 2 5.534 15.817 4.786 15 HZ2 LYS 2 1HZ LYS 2 6.227 14.754 5.911 16 HZ3 LYS 2 2HZ LYS 2 5.169 15.975 6.439 17 H GLU 3 H GLU 3 -2.681 14.689 6.020 18 HA GLU 3 HA GLU 3 -2.706 13.000 8.490 19 HB2 GLU 3 2HB GLU 3 -4.387 15.456 7.894 20 HB3 GLU 3 1HB GLU 3 -4.591 14.406 9.298 21 HG2 GLU 3 2HG GLU 3 -2.133 14.867 9.826 22 HG3 GLU 3 1HG GLU 3 -2.214 16.146 8.615 23 H CYS 4 H CYS 4 -3.701 13.273 5.315 24 HA CYS 4 HA CYS 4 -6.255 11.821 5.793 25 HB2 CYS 4 2HB CYS 4 -5.147 13.467 3.579 26 HB3 CYS 4 1HB CYS 4 -6.142 12.093 3.099 27 H ASP 5 H ASP 5 -5.837 9.659 6.064 28 HA ASP 5 HA ASP 5 -3.661 8.379 4.538 29 HB2 ASP 5 2HB ASP 5 -4.541 7.934 7.044 30 HB3 ASP 5 1HB ASP 5 -5.535 6.755 6.188 31 H CYS 6 H CYS 6 -6.929 9.053 4.055 32 HA CYS 6 HA CYS 6 -7.007 7.095 1.828 33 HB2 CYS 6 2HB CYS 6 -8.806 7.118 4.203 34 HB3 CYS 6 1HB CYS 6 -9.553 6.832 2.632 35 H SER 7 H SER 7 -8.681 7.670 0.229 36 HA SER 7 HA SER 7 -9.298 10.592 0.332 37 HB2 SER 7 2HB SER 7 -7.897 10.080 -1.553 38 HB3 SER 7 1HB SER 7 -8.889 8.693 -1.991 39 HG SER 7 HG SER 7 -9.519 10.363 -3.293 40 H SER 8 H SER 8 -10.787 7.767 0.983 41 HA SER 8 HA SER 8 -13.356 8.616 -0.282 42 HB2 SER 8 2HB SER 8 -12.081 6.059 -0.063 43 HB3 SER 8 1HB SER 8 -13.584 6.012 0.854 44 HG SER 8 HG SER 8 -14.252 5.608 -1.156 45 HA PRO 9 HA PRO 9 -14.534 9.587 3.903 46 HB2 PRO 9 2HB PRO 9 -17.082 10.408 3.278 47 HB3 PRO 9 1HB PRO 9 -15.642 11.411 3.029 48 HG2 PRO 9 2HG PRO 9 -17.288 9.959 1.012 49 HG3 PRO 9 1HG PRO 9 -16.284 11.405 0.811 50 HD2 PRO 9 2HD PRO 9 -15.578 8.770 0.043 51 HD3 PRO 9 1HD PRO 9 -14.480 10.162 0.140 52 H GLU 10 H GLU 10 -15.904 7.192 1.855 53 HA GLU 10 HA GLU 10 -17.667 6.191 4.042 54 HB2 GLU 10 2HB GLU 10 -17.741 6.077 1.104 55 HB3 GLU 10 1HB GLU 10 -18.080 4.529 1.880 56 HG2 GLU 10 2HG GLU 10 -19.835 5.537 3.232 57 HG3 GLU 10 1HG GLU 10 -19.446 7.137 2.599 58 H ASN 11 H ASN 11 -14.560 5.918 3.371 59 HA ASN 11 HA ASN 11 -14.214 3.044 3.146 60 HB2 ASN 11 2HB ASN 11 -12.541 4.904 2.494 61 HB3 ASN 11 1HB ASN 11 -12.145 4.964 4.211 62 HD21 ASN 11 1HD2 ASN 11 -10.677 3.848 1.669 63 HD22 ASN 11 2HD2 ASN 11 -10.169 2.309 2.172 64 HA PRO 12 HA PRO 12 -14.952 2.383 7.494 65 HB2 PRO 12 2HB PRO 12 -14.618 -0.344 7.400 66 HB3 PRO 12 1HB PRO 12 -16.104 0.477 6.891 67 HG2 PRO 12 2HG PRO 12 -13.979 -0.767 5.211 68 HG3 PRO 12 1HG PRO 12 -15.692 -0.506 4.843 69 HD2 PRO 12 2HD PRO 12 -13.530 1.067 3.903 70 HD3 PRO 12 1HD PRO 12 -15.253 1.491 3.808 71 H CYS 13 H CYS 13 -12.127 1.418 5.682 72 HA CYS 13 HA CYS 13 -10.594 0.742 8.108 73 HB2 CYS 13 2HB CYS 13 -10.344 0.270 5.257 74 HB3 CYS 13 1HB CYS 13 -8.846 0.941 5.907 75 H CYS 14 H CYS 14 -11.528 3.553 6.621 76 HA CYS 14 HA CYS 14 -9.165 4.978 7.752 77 HB2 CYS 14 2HB CYS 14 -10.477 6.065 5.291 78 HB3 CYS 14 1HB CYS 14 -8.816 6.252 5.850 79 H ASP 15 H ASP 15 -9.948 6.193 9.362 80 HA ASP 15 HA ASP 15 -12.675 6.863 9.764 81 HB2 ASP 15 2HB ASP 15 -10.453 7.036 11.287 82 HB3 ASP 15 1HB ASP 15 -10.611 8.726 10.814 83 H ALA 16 H ALA 16 -13.930 8.379 8.788 84 HA ALA 16 HA ALA 16 -12.842 10.096 6.721 85 HB1 ALA 16 1HB ALA 16 -15.038 10.548 6.182 86 HB2 ALA 16 2HB ALA 16 -15.546 10.623 7.870 87 HB3 ALA 16 3HB ALA 16 -15.282 9.060 7.096 88 H ALA 17 H ALA 17 -14.003 10.610 10.042 89 HA ALA 17 HA ALA 17 -13.903 13.440 10.084 90 HB1 ALA 17 1HB ALA 17 -14.376 11.442 11.951 91 HB2 ALA 17 2HB ALA 17 -14.349 13.174 12.289 92 HB3 ALA 17 3HB ALA 17 -12.900 12.202 12.544 93 H THR 18 H THR 18 -11.359 11.259 11.367 94 HA THR 18 HA THR 18 -9.381 13.394 11.270 95 HB THR 18 HB THR 18 -7.871 11.809 12.192 96 HG1 THR 18 1HG THR 18 -8.819 9.492 12.106 97 HG21 THR 18 3HG2 THR 18 -10.365 12.182 13.299 98 HG22 THR 18 1HG2 THR 18 -9.005 11.407 14.109 99 HG23 THR 18 2HG2 THR 18 -10.219 10.424 13.288 100 H CYS 19 H CYS 19 -10.594 11.079 9.042 101 HA CYS 19 HA CYS 19 -10.047 10.748 6.778 102 HB2 CYS 19 2HB CYS 19 -9.483 13.270 6.983 103 HB3 CYS 19 1HB CYS 19 -7.804 12.740 7.101 104 H LYS 20 H LYS 20 -8.646 9.452 9.160 105 HA LYS 20 HA LYS 20 -6.408 8.304 7.556 106 HB2 LYS 20 2HB LYS 20 -6.281 9.527 10.287 107 HB3 LYS 20 1HB LYS 20 -5.261 8.130 9.942 108 HG2 LYS 20 2HG LYS 20 -5.175 10.039 7.760 109 HG3 LYS 20 1HG LYS 20 -4.721 10.802 9.282 110 HD2 LYS 20 2HD LYS 20 -3.526 8.169 9.063 111 HD3 LYS 20 1HD LYS 20 -3.095 9.170 7.675 112 HE2 LYS 20 2HE LYS 20 -2.961 10.757 10.074 113 HE3 LYS 20 1HE LYS 20 -2.004 9.290 10.287 114 HZ1 LYS 20 3HZ LYS 20 -0.457 10.141 8.978 115 HZ2 LYS 20 1HZ LYS 20 -1.361 11.565 8.803 116 HZ3 LYS 20 2HZ LYS 20 -1.570 10.287 7.703 117 H LEU 21 H LEU 21 -5.671 6.170 8.588 118 HA LEU 21 HA LEU 21 -7.653 4.265 8.663 119 HB2 LEU 21 2HB LEU 21 -5.054 4.370 10.202 120 HB3 LEU 21 1HB LEU 21 -6.098 2.948 10.222 121 HG LEU 21 HG LEU 21 -5.714 3.924 7.513 122 HD11 LEU 21 1HD1 LEU 21 -3.530 4.628 8.686 123 HD12 LEU 21 2HD1 LEU 21 -3.376 3.611 7.252 124 HD13 LEU 21 3HD1 LEU 21 -3.210 2.901 8.859 125 HD21 LEU 21 3HD2 LEU 21 -5.858 1.453 9.035 126 HD22 LEU 21 1HD2 LEU 21 -4.552 1.389 7.850 127 HD23 LEU 21 2HD2 LEU 21 -6.202 1.729 7.327 128 H ARG 22 H ARG 22 -9.358 3.846 9.972 129 HA ARG 22 HA ARG 22 -9.662 5.390 12.444 130 HB2 ARG 22 2HB ARG 22 -11.731 5.286 11.479 131 HB3 ARG 22 1HB ARG 22 -11.418 3.740 10.704 132 HG2 ARG 22 2HG ARG 22 -11.735 2.582 12.854 133 HG3 ARG 22 1HG ARG 22 -11.995 4.130 13.660 134 HD2 ARG 22 2HD ARG 22 -14.149 3.061 13.150 135 HD3 ARG 22 1HD ARG 22 -13.961 4.544 12.214 136 HE ARG 22 HE ARG 22 -13.169 2.005 10.904 137 HH11 ARG 22 1HH2 ARG 22 -13.997 4.950 9.973 138 HH12 ARG 22 2HH2 ARG 22 -15.420 4.543 9.072 139 HH21 ARG 22 1HH1 ARG 22 -15.612 1.316 10.327 140 HH22 ARG 22 2HH1 ARG 22 -16.334 2.487 9.273 141 HA PRO 23 HA PRO 23 -9.552 1.040 14.405 142 HB2 PRO 23 2HB PRO 23 -8.972 -1.094 12.773 143 HB3 PRO 23 1HB PRO 23 -10.618 -0.520 13.087 144 HG2 PRO 23 2HG PRO 23 -8.943 -0.176 10.642 145 HG3 PRO 23 1HG PRO 23 -10.708 -0.218 10.797 146 HD2 PRO 23 2HD PRO 23 -9.135 2.107 10.484 147 HD3 PRO 23 1HD PRO 23 -10.837 2.058 10.993 148 H GLY 24 H GLY 24 -7.690 -1.036 14.217 149 HA2 GLY 24 2HA GLY 24 -5.157 0.468 14.418 150 HA3 GLY 24 1HA GLY 24 -5.417 -1.195 14.944 151 H ALA 25 H ALA 25 -6.406 -0.057 11.779 152 HA ALA 25 HA ALA 25 -4.819 -2.132 10.487 153 HB1 ALA 25 1HB ALA 25 -6.952 -0.247 9.753 154 HB2 ALA 25 2HB ALA 25 -6.638 -1.877 9.155 155 HB3 ALA 25 3HB ALA 25 -5.768 -0.504 8.471 156 H GLN 26 H GLN 26 -2.953 -1.819 9.202 157 HA GLN 26 HA GLN 26 -1.406 0.565 9.819 158 HB2 GLN 26 2HB GLN 26 0.369 -0.516 8.590 159 HB3 GLN 26 1HB GLN 26 -0.453 -1.748 9.547 160 HG2 GLN 26 2HG GLN 26 -0.436 -2.837 7.548 161 HG3 GLN 26 1HG GLN 26 -1.928 -1.932 7.328 162 HE21 GLN 26 1HE2 GLN 26 -0.316 -2.734 5.083 163 HE22 GLN 26 2HE2 GLN 26 0.328 -1.338 4.371 164 H CYS 27 H CYS 27 -3.187 -0.640 6.986 165 HA CYS 27 HA CYS 27 -3.037 2.098 5.884 166 HB2 CYS 27 2HB CYS 27 -1.770 1.590 4.096 167 HB3 CYS 27 1HB CYS 27 -1.469 0.023 4.807 168 H GLY 28 H GLY 28 -4.864 2.635 4.583 169 HA2 GLY 28 2HA GLY 28 -7.183 0.855 5.032 170 HA3 GLY 28 1HA GLY 28 -7.261 2.524 4.477 171 H GLU 29 H GLU 29 -5.139 2.072 2.493 172 HA GLU 29 HA GLU 29 -6.338 0.094 0.657 173 HB2 GLU 29 2HB GLU 29 -6.777 1.696 -1.062 174 HB3 GLU 29 1HB GLU 29 -7.538 2.314 0.397 175 HG2 GLU 29 2HG GLU 29 -6.321 4.191 0.240 176 HG3 GLU 29 1HG GLU 29 -4.844 3.238 0.382 177 H GLY 30 H GLY 30 -4.873 -0.444 -1.102 178 HA2 GLY 30 2HA GLY 30 -2.519 0.762 -1.873 179 HA3 GLY 30 1HA GLY 30 -2.066 -0.063 -0.383 180 H LEU 31 H LEU 31 -0.729 -0.980 -2.470 181 HA LEU 31 HA LEU 31 -2.161 -3.139 -3.853 182 HB2 LEU 31 2HB LEU 31 0.540 -1.909 -3.964 183 HB3 LEU 31 1HB LEU 31 0.451 -3.615 -4.396 184 HG LEU 31 HG LEU 31 -1.359 -1.499 -5.578 185 HD11 LEU 31 1HD1 LEU 31 0.375 -2.407 -7.558 186 HD12 LEU 31 2HD1 LEU 31 1.419 -2.182 -6.155 187 HD13 LEU 31 3HD1 LEU 31 0.449 -0.838 -6.757 188 HD21 LEU 31 3HD2 LEU 31 -0.669 -4.256 -6.615 189 HD22 LEU 31 1HD2 LEU 31 -1.990 -3.206 -7.128 190 HD23 LEU 31 2HD2 LEU 31 -2.037 -3.971 -5.540 191 H CYS 32 H CYS 32 0.495 -2.915 -1.471 192 HA CYS 32 HA CYS 32 0.185 -5.812 -0.933 193 HB2 CYS 32 2HB CYS 32 2.264 -3.807 -0.026 194 HB3 CYS 32 1HB CYS 32 2.268 -5.518 0.410 195 H CYS 33 H CYS 33 -2.010 -4.446 -0.079 196 HA CYS 33 HA CYS 33 -1.597 -4.264 2.876 197 HB2 CYS 33 2HB CYS 33 -3.369 -2.723 1.003 198 HB3 CYS 33 1HB CYS 33 -3.865 -2.943 2.679 199 H GLU 34 H GLU 34 -2.070 -6.412 3.395 200 HA GLU 34 HA GLU 34 -4.497 -7.667 2.276 201 HB2 GLU 34 2HB GLU 34 -2.608 -9.135 2.444 202 HB3 GLU 34 1HB GLU 34 -2.298 -8.652 4.111 203 HG2 GLU 34 2HG GLU 34 -3.689 -10.249 4.864 204 HG3 GLU 34 1HG GLU 34 -5.008 -9.586 3.899 205 H GLN 35 H GLN 35 -6.382 -7.135 3.251 206 HA GLN 35 HA GLN 35 -7.936 -6.709 4.945 207 HB2 GLN 35 2HB GLN 35 -6.351 -8.824 5.847 208 HB3 GLN 35 1HB GLN 35 -6.354 -7.681 7.192 209 HG2 GLN 35 2HG GLN 35 -8.426 -8.364 7.734 210 HG3 GLN 35 1HG GLN 35 -9.004 -7.764 6.179 211 HE21 GLN 35 1HE2 GLN 35 -7.507 -9.627 4.510 212 HE22 GLN 35 2HE2 GLN 35 -8.178 -11.169 4.746 213 H CYS 36 H CYS 36 -6.078 -4.676 4.258 214 HA CYS 36 HA CYS 36 -5.375 -2.586 5.039 215 HB2 CYS 36 2HB CYS 36 -7.173 -3.456 7.311 216 HB3 CYS 36 1HB CYS 36 -6.347 -1.896 7.298 217 H LYS 37 H LYS 37 -3.701 -4.882 5.437 218 HA LYS 37 HA LYS 37 -2.169 -3.970 7.827 219 HB2 LYS 37 2HB LYS 37 -3.360 -6.544 7.408 220 HB3 LYS 37 1HB LYS 37 -1.609 -6.728 7.301 221 HG2 LYS 37 2HG LYS 37 -1.948 -5.012 9.463 222 HG3 LYS 37 1HG LYS 37 -3.273 -6.163 9.636 223 HD2 LYS 37 2HD LYS 37 -1.123 -7.773 8.937 224 HD3 LYS 37 1HD LYS 37 -0.398 -6.571 10.006 225 HE2 LYS 37 2HE LYS 37 -1.615 -7.258 11.832 226 HE3 LYS 37 1HE LYS 37 -3.004 -7.737 10.857 227 HZ1 LYS 37 3HZ LYS 37 -2.003 -9.704 11.672 228 HZ2 LYS 37 1HZ LYS 37 -0.450 -9.202 11.206 229 HZ3 LYS 37 2HZ LYS 37 -1.601 -9.608 10.024 230 H PHE 38 H PHE 38 0.213 -4.634 7.570 231 HA PHE 38 HA PHE 38 1.042 -3.962 4.837 232 HB2 PHE 38 2HB PHE 38 2.400 -4.263 7.482 233 HB3 PHE 38 1HB PHE 38 3.378 -4.400 6.028 234 HD1 PHE 38 1HD PHE 38 2.658 -2.505 4.164 235 HD2 PHE 38 2HD PHE 38 2.312 -2.145 8.431 236 HE1 PHE 38 1HE PHE 38 2.722 -0.035 3.962 237 HE2 PHE 38 2HE PHE 38 2.374 0.324 8.227 238 HZ PHE 38 HZ PHE 38 2.578 1.380 5.992 239 H SER 39 H SER 39 1.324 -5.524 3.321 240 HA SER 39 HA SER 39 1.248 -8.318 3.893 241 HB2 SER 39 2HB SER 39 2.617 -7.046 1.506 242 HB3 SER 39 1HB SER 39 1.895 -8.650 1.597 243 HG SER 39 HG SER 39 -0.128 -7.568 1.969 244 H ARG 40 H ARG 40 3.579 -9.313 2.537 245 HA ARG 40 HA ARG 40 5.613 -8.604 4.604 246 HB2 ARG 40 2HB ARG 40 5.212 -11.126 2.964 247 HB3 ARG 40 1HB ARG 40 6.629 -10.840 3.976 248 HG2 ARG 40 2HG ARG 40 5.182 -10.578 5.950 249 HG3 ARG 40 1HG ARG 40 3.755 -10.840 4.947 250 HD2 ARG 40 2HD ARG 40 4.051 -13.085 4.919 251 HD3 ARG 40 1HD ARG 40 5.786 -12.937 4.643 252 HE ARG 40 HE ARG 40 4.460 -13.034 7.290 253 HH11 ARG 40 1HH1 ARG 40 7.142 -11.531 5.971 254 HH12 ARG 40 2HH1 ARG 40 8.307 -12.312 6.989 255 HH21 ARG 40 1HH2 ARG 40 6.020 -14.533 8.352 256 HH22 ARG 40 2HH2 ARG 40 7.672 -14.011 8.336 257 H ALA 41 H ALA 41 7.902 -8.605 3.816 258 HA ALA 41 HA ALA 41 8.149 -7.008 1.423 259 HB1 ALA 41 1HB ALA 41 9.704 -7.378 3.632 260 HB2 ALA 41 2HB ALA 41 10.290 -6.648 2.138 261 HB3 ALA 41 3HB ALA 41 10.575 -8.360 2.454 262 H GLY 42 H GLY 42 9.655 -7.663 -0.399 263 HA2 GLY 42 2HA GLY 42 10.254 -9.177 -2.104 264 HA3 GLY 42 1HA GLY 42 10.053 -10.482 -0.933 265 H LYS 43 H LYS 43 7.434 -8.266 -1.262 266 HA LYS 43 HA LYS 43 5.774 -10.434 -2.420 267 HB2 LYS 43 2HB LYS 43 4.681 -9.465 -0.581 268 HB3 LYS 43 1HB LYS 43 5.197 -7.838 -1.009 269 HG2 LYS 43 2HG LYS 43 2.862 -7.969 -1.549 270 HG3 LYS 43 1HG LYS 43 3.718 -8.038 -3.079 271 HD2 LYS 43 2HD LYS 43 3.436 -10.411 -3.240 272 HD3 LYS 43 1HD LYS 43 2.877 -10.521 -1.570 273 HE2 LYS 43 2HE LYS 43 1.031 -10.619 -3.298 274 HE3 LYS 43 1HE LYS 43 0.841 -9.344 -2.094 275 HZ1 LYS 43 3HZ LYS 43 2.353 -8.622 -4.461 276 HZ2 LYS 43 1HZ LYS 43 1.184 -7.738 -3.607 277 HZ3 LYS 43 2HZ LYS 43 0.702 -8.929 -4.719 278 H ILE 44 H ILE 44 5.386 -10.481 -4.565 279 HA ILE 44 HA ILE 44 6.251 -8.424 -6.355 280 HB ILE 44 HB ILE 44 4.880 -11.016 -6.537 281 HG12 ILE 44 2HG1 ILE 44 7.235 -10.549 -7.157 282 HG13 ILE 44 1HG1 ILE 44 6.312 -11.195 -8.516 283 HG21 ILE 44 1HG2 ILE 44 4.106 -10.443 -8.943 284 HG22 ILE 44 2HG2 ILE 44 4.101 -8.767 -8.393 285 HG23 ILE 44 3HG2 ILE 44 3.058 -9.954 -7.610 286 HD11 ILE 44 3HD1 ILE 44 5.838 -8.698 -9.082 287 HD12 ILE 44 1HD1 ILE 44 7.424 -9.361 -9.471 288 HD13 ILE 44 2HD1 ILE 44 7.215 -8.364 -8.032 289 H CYS 45 H CYS 45 5.355 -6.411 -5.984 290 HA CYS 45 HA CYS 45 2.436 -6.167 -5.607 291 HB2 CYS 45 2HB CYS 45 3.001 -3.681 -5.501 292 HB3 CYS 45 1HB CYS 45 3.688 -4.677 -4.222 293 H ARG 46 H ARG 46 4.774 -6.018 -8.097 294 HA ARG 46 HA ARG 46 2.692 -5.528 -10.090 295 HB2 ARG 46 2HB ARG 46 4.428 -3.362 -9.171 296 HB3 ARG 46 1HB ARG 46 4.555 -3.635 -10.910 297 HG2 ARG 46 2HG ARG 46 2.305 -3.158 -11.287 298 HG3 ARG 46 1HG ARG 46 1.839 -3.555 -9.633 299 HD2 ARG 46 2HD ARG 46 1.765 -1.115 -10.010 300 HD3 ARG 46 1HD ARG 46 2.992 -1.536 -8.815 301 HE ARG 46 HE ARG 46 4.608 -0.686 -10.297 302 HH11 ARG 46 1HH1 ARG 46 1.757 0.126 -11.666 303 HH12 ARG 46 2HH1 ARG 46 2.260 -0.002 -13.319 304 HH21 ARG 46 1HH2 ARG 46 5.257 -1.571 -12.563 305 HH22 ARG 46 2HH2 ARG 46 4.240 -0.961 -13.825 306 H ILE 47 H ILE 47 3.857 -5.394 -12.359 307 HA ILE 47 HA ILE 47 6.227 -7.221 -12.301 308 HB ILE 47 HB ILE 47 4.215 -8.454 -13.003 309 HG12 ILE 47 2HG1 ILE 47 5.043 -8.880 -15.472 310 HG13 ILE 47 1HG1 ILE 47 6.369 -7.816 -14.999 311 HG21 ILE 47 1HG2 ILE 47 3.286 -6.139 -13.979 312 HG22 ILE 47 2HG2 ILE 47 2.731 -7.695 -14.595 313 HG23 ILE 47 3HG2 ILE 47 3.967 -6.791 -15.470 314 HD11 ILE 47 3HD1 ILE 47 6.583 -9.325 -12.912 315 HD12 ILE 47 1HD1 ILE 47 7.147 -9.982 -14.449 316 HD13 ILE 47 2HD1 ILE 47 5.581 -10.473 -13.803 317 H ALA 48 H ALA 48 7.962 -6.343 -13.332 318 HA ALA 48 HA ALA 48 7.497 -3.976 -15.071 319 HB1 ALA 48 1HB ALA 48 9.191 -4.023 -13.107 320 HB2 ALA 48 2HB ALA 48 9.733 -3.353 -14.646 321 HB3 ALA 48 3HB ALA 48 10.196 -4.992 -14.187 322 H ARG 49 H ARG 49 7.689 -4.167 -17.248 323 HA ARG 49 HA ARG 49 8.967 -6.651 -18.312 324 HB2 ARG 49 2HB ARG 49 6.902 -4.820 -19.574 325 HB3 ARG 49 1HB ARG 49 7.597 -6.249 -20.342 326 HG2 ARG 49 2HG ARG 49 6.072 -7.541 -19.316 327 HG3 ARG 49 1HG ARG 49 6.689 -7.015 -17.749 328 HD2 ARG 49 2HD ARG 49 4.323 -6.468 -17.867 329 HD3 ARG 49 1HD ARG 49 5.251 -4.970 -17.930 330 HE ARG 49 HE ARG 49 3.976 -4.665 -19.904 331 HH11 ARG 49 1HH2 ARG 49 3.658 -7.903 -19.580 332 HH12 ARG 49 2HH2 ARG 49 3.953 -8.318 -21.235 333 HH21 ARG 49 1HH1 ARG 49 5.080 -5.156 -22.105 334 HH22 ARG 49 2HH1 ARG 49 4.759 -6.764 -22.664 335 H GLY 50 H GLY 50 10.770 -6.408 -19.577 336 HA2 GLY 50 2HA GLY 50 11.566 -4.726 -21.474 337 HA3 GLY 50 1HA GLY 50 11.689 -3.634 -20.098 338 H ASP 51 H ASP 51 13.438 -3.837 -18.725 339 HA ASP 51 HA ASP 51 15.168 -6.223 -18.891 340 HB2 ASP 51 2HB ASP 51 15.834 -3.588 -20.091 341 HB3 ASP 51 1HB ASP 51 17.110 -4.351 -19.138 342 H TRP 52 H TRP 52 13.587 -5.170 -16.771 343 HA TRP 52 HA TRP 52 15.755 -4.408 -14.863 344 HB2 TRP 52 2HB TRP 52 13.668 -3.192 -13.695 345 HB3 TRP 52 1HB TRP 52 14.672 -2.370 -14.889 346 HD1 TRP 52 HD TRP 52 11.746 -4.890 -15.249 347 HE1 TRP 52 1HE TRP 52 10.070 -3.922 -16.946 348 HE3 TRP 52 3HE TRP 52 14.020 -0.436 -16.308 349 HZ2 TRP 52 2HZ TRP 52 9.729 -1.577 -18.541 350 HZ3 TRP 52 3HZ TRP 52 12.994 1.142 -17.922 351 HH2 TRP 52 HH TRP 52 10.854 0.576 -19.038 352 H ASN 53 H ASN 53 14.691 -4.682 -12.497 353 HA ASN 53 HA ASN 53 13.811 -7.495 -12.416 354 HB2 ASN 53 2HB ASN 53 14.247 -5.657 -10.054 355 HB3 ASN 53 1HB ASN 53 14.321 -7.420 -10.088 356 HD21 ASN 53 1HD2 ASN 53 16.435 -8.182 -10.089 357 HD22 ASN 53 2HD2 ASN 53 17.762 -7.387 -10.786 358 H ASP 54 H ASP 54 11.998 -8.031 -10.822 359 HA ASP 54 HA ASP 54 9.649 -6.455 -11.547 360 HB2 ASP 54 2HB ASP 54 9.737 -8.699 -9.523 361 HB3 ASP 54 1HB ASP 54 8.378 -8.185 -10.522 362 H ASP 55 H ASP 55 8.070 -5.844 -9.717 363 HA ASP 55 HA ASP 55 9.611 -4.313 -7.704 364 HB2 ASP 55 2HB ASP 55 6.743 -4.211 -8.656 365 HB3 ASP 55 1HB ASP 55 7.299 -3.303 -7.250 366 H ARG 56 H ARG 56 9.762 -5.015 -5.641 367 HA ARG 56 HA ARG 56 7.739 -6.998 -4.675 368 HB2 ARG 56 2HB ARG 56 10.711 -6.882 -4.094 369 HB3 ARG 56 1HB ARG 56 9.575 -7.974 -3.304 370 HG2 ARG 56 2HG ARG 56 9.084 -8.270 -6.055 371 HG3 ARG 56 1HG ARG 56 10.841 -8.230 -5.898 372 HD2 ARG 56 2HD ARG 56 10.367 -9.868 -3.866 373 HD3 ARG 56 1HD ARG 56 8.881 -10.189 -4.760 374 HE ARG 56 HE ARG 56 10.544 -10.629 -6.741 375 HH11 ARG 56 1HH1 ARG 56 10.256 -12.114 -3.764 376 HH12 ARG 56 2HH1 ARG 56 11.735 -13.010 -3.860 377 HH21 ARG 56 1HH2 ARG 56 12.836 -11.394 -6.724 378 HH22 ARG 56 2HH2 ARG 56 13.196 -12.602 -5.537 379 H CYS 57 H CYS 57 6.572 -6.155 -3.017 380 HA CYS 57 HA CYS 57 7.133 -3.671 -1.767 381 HB2 CYS 57 2HB CYS 57 5.401 -6.011 -1.007 382 HB3 CYS 57 1HB CYS 57 5.577 -4.639 0.082 383 H THR 58 H THR 58 7.777 -3.285 0.476 384 HA THR 58 HA THR 58 10.020 -5.030 1.247 385 HB THR 58 HB THR 58 10.577 -2.726 1.332 386 HG1 THR 58 1HG THR 58 11.396 -3.466 3.161 387 HG21 THR 58 3HG2 THR 58 8.774 -1.352 1.314 388 HG22 THR 58 1HG2 THR 58 8.900 -1.420 3.071 389 HG23 THR 58 2HG2 THR 58 7.785 -2.492 2.225 390 H GLY 59 H GLY 59 6.830 -5.211 1.795 391 HA2 GLY 59 2HA GLY 59 5.685 -6.527 3.402 392 HA3 GLY 59 1HA GLY 59 7.207 -6.715 4.280 393 H GLN 60 H GLN 60 7.119 -3.525 3.770 394 HA GLN 60 HA GLN 60 5.394 -2.942 6.132 395 HB2 GLN 60 2HB GLN 60 7.956 -1.447 5.616 396 HB3 GLN 60 1HB GLN 60 7.065 -1.627 7.128 397 HG2 GLN 60 2HG GLN 60 7.626 -4.094 7.056 398 HG3 GLN 60 1HG GLN 60 8.695 -3.742 5.698 399 HE21 GLN 60 1HE2 GLN 60 9.337 -1.019 6.961 400 HE22 GLN 60 2HE2 GLN 60 10.449 -1.384 8.190 401 H SER 61 H SER 61 5.930 -2.412 2.900 402 HA SER 61 HA SER 61 4.927 0.404 3.039 403 HB2 SER 61 2HB SER 61 6.183 -1.057 0.697 404 HB3 SER 61 1HB SER 61 5.716 0.640 0.732 405 HG SER 61 HG SER 61 7.504 1.065 1.740 406 H ALA 62 H ALA 62 2.952 0.898 2.115 407 HA ALA 62 HA ALA 62 1.311 -1.415 1.221 408 HB1 ALA 62 1HB ALA 62 0.200 -0.115 2.885 409 HB2 ALA 62 2HB ALA 62 -0.554 0.351 1.360 410 HB3 ALA 62 3HB ALA 62 0.648 1.403 2.106 411 H ASP 63 H ASP 63 2.178 1.890 0.162 412 HA ASP 63 HA ASP 63 0.999 1.435 -2.484 413 HB2 ASP 63 2HB ASP 63 2.877 3.696 -1.824 414 HB3 ASP 63 1HB ASP 63 1.497 3.687 -2.922 415 H CYS 64 H CYS 64 2.141 -0.193 -3.543 416 HA CYS 64 HA CYS 64 4.917 -0.665 -3.417 417 HB2 CYS 64 2HB CYS 64 3.474 -2.294 -4.440 418 HB3 CYS 64 1HB CYS 64 2.959 -1.149 -5.676 419 HA PRO 65 HA PRO 65 6.235 3.045 -5.455 420 HB2 PRO 65 2HB PRO 65 8.847 2.697 -4.713 421 HB3 PRO 65 1HB PRO 65 7.624 3.410 -3.657 422 HG2 PRO 65 2HG PRO 65 8.909 0.735 -3.532 423 HG3 PRO 65 1HG PRO 65 8.118 1.660 -2.245 424 HD2 PRO 65 2HD PRO 65 7.011 -0.530 -3.678 425 HD3 PRO 65 1HD PRO 65 6.151 0.547 -2.560 426 H ARG 66 H ARG 66 8.592 3.288 -6.747 427 HA ARG 66 HA ARG 66 8.900 0.895 -8.500 428 HB2 ARG 66 2HB ARG 66 7.994 3.630 -9.260 429 HB3 ARG 66 1HB ARG 66 9.140 2.843 -10.344 430 HG2 ARG 66 2HG ARG 66 6.993 1.057 -9.440 431 HG3 ARG 66 1HG ARG 66 6.405 2.443 -10.360 432 HD2 ARG 66 2HD ARG 66 8.566 1.713 -11.859 433 HD3 ARG 66 1HD ARG 66 8.033 0.145 -11.255 434 HE ARG 66 HE ARG 66 5.683 1.180 -12.130 435 HH11 ARG 66 1HH1 ARG 66 7.152 3.110 -13.862 436 HH12 ARG 66 2HH1 ARG 66 7.338 2.221 -15.336 437 HH21 ARG 66 1HH2 ARG 66 6.644 -0.849 -13.883 438 HH22 ARG 66 2HH2 ARG 66 7.052 -0.019 -15.348 439 H TYR 67 H TYR 67 10.900 1.250 -9.975 440 HA TYR 67 HA TYR 67 12.968 2.824 -8.493 441 HB2 TYR 67 2HB TYR 67 13.495 0.182 -9.868 442 HB3 TYR 67 1HB TYR 67 14.554 1.055 -8.760 443 HD1 TYR 67 1HD TYR 67 13.168 1.726 -6.456 444 HD2 TYR 67 2HD TYR 67 12.514 -1.710 -8.949 445 HE1 TYR 67 1HE TYR 67 12.146 0.529 -4.540 446 HE2 TYR 67 2HE TYR 67 11.492 -2.906 -7.033 447 HH TYR 67 HH TYR 67 11.839 -2.535 -4.241 448 H HIS 68 H HIS 68 11.852 1.516 -11.579 449 HA HIS 68 HA HIS 68 13.781 3.336 -12.961 450 HB2 HIS 68 2HB HIS 68 12.563 0.693 -13.697 451 HB3 HIS 68 1HB HIS 68 13.035 1.808 -14.979 452 HD1 HIS 68 1HD HIS 68 14.424 -0.493 -12.415 453 HD2 HIS 68 2HD HIS 68 15.871 2.410 -15.032 454 HE1 HIS 68 1HE HIS 68 16.938 -0.790 -12.496 Start of MODEL 9 1 H GLY 1 1HT GLY 1 1.485 14.196 7.326 2 HA2 GLY 1 1HA GLY 1 2.171 16.472 8.660 3 HA3 GLY 1 2HA GLY 1 2.125 16.956 6.965 4 H LYS 2 H LYS 2 0.129 16.136 5.744 5 HA LYS 2 HA LYS 2 -2.231 17.109 6.941 6 HB2 LYS 2 2HB LYS 2 -3.418 15.785 5.125 7 HB3 LYS 2 1HB LYS 2 -2.160 16.882 4.554 8 HG2 LYS 2 2HG LYS 2 -0.677 14.650 4.971 9 HG3 LYS 2 1HG LYS 2 -2.226 13.916 4.554 10 HD2 LYS 2 2HD LYS 2 -2.319 15.220 2.483 11 HD3 LYS 2 1HD LYS 2 -0.812 16.033 2.905 12 HE2 LYS 2 2HE LYS 2 -0.511 13.149 3.055 13 HE3 LYS 2 1HE LYS 2 -1.073 13.644 1.459 14 HZ1 LYS 2 3HZ LYS 2 0.737 15.388 1.579 15 HZ2 LYS 2 1HZ LYS 2 1.244 13.783 1.365 16 HZ3 LYS 2 2HZ LYS 2 1.362 14.513 2.894 17 H GLU 3 H GLU 3 -4.250 15.282 6.784 18 HA GLU 3 HA GLU 3 -3.439 13.009 8.533 19 HB2 GLU 3 2HB GLU 3 -5.481 13.472 9.938 20 HB3 GLU 3 1HB GLU 3 -4.219 14.695 10.080 21 HG2 GLU 3 2HG GLU 3 -5.720 16.254 9.473 22 HG3 GLU 3 1HG GLU 3 -5.837 15.476 7.894 23 H CYS 4 H CYS 4 -3.983 12.758 5.827 24 HA CYS 4 HA CYS 4 -6.618 11.344 5.893 25 HB2 CYS 4 2HB CYS 4 -5.462 13.065 3.684 26 HB3 CYS 4 1HB CYS 4 -6.780 11.929 3.415 27 H ASP 5 H ASP 5 -5.565 9.369 6.289 28 HA ASP 5 HA ASP 5 -3.307 8.460 4.718 29 HB2 ASP 5 2HB ASP 5 -4.640 7.617 7.050 30 HB3 ASP 5 1HB ASP 5 -4.844 6.301 5.892 31 H CYS 6 H CYS 6 -6.696 8.563 4.154 32 HA CYS 6 HA CYS 6 -6.311 6.721 1.829 33 HB2 CYS 6 2HB CYS 6 -8.670 6.033 2.087 34 HB3 CYS 6 1HB CYS 6 -7.735 5.653 3.533 35 H SER 7 H SER 7 -7.096 7.470 -0.127 36 HA SER 7 HA SER 7 -7.908 10.305 -0.205 37 HB2 SER 7 2HB SER 7 -6.391 8.684 -1.885 38 HB3 SER 7 1HB SER 7 -7.910 8.875 -2.755 39 HG SER 7 HG SER 7 -7.680 11.146 -2.424 40 H SER 8 H SER 8 -9.430 7.284 -0.052 41 HA SER 8 HA SER 8 -11.853 8.316 -1.448 42 HB2 SER 8 2HB SER 8 -11.112 5.511 -0.574 43 HB3 SER 8 1HB SER 8 -12.628 5.948 -1.357 44 HG SER 8 HG SER 8 -11.213 5.287 -2.937 45 HA PRO 9 HA PRO 9 -13.498 8.913 2.645 46 HB2 PRO 9 2HB PRO 9 -15.958 9.819 1.815 47 HB3 PRO 9 1HB PRO 9 -14.499 10.823 1.828 48 HG2 PRO 9 2HG PRO 9 -15.902 9.585 -0.493 49 HG3 PRO 9 1HG PRO 9 -14.882 11.034 -0.441 50 HD2 PRO 9 2HD PRO 9 -14.091 8.477 -1.369 51 HD3 PRO 9 1HD PRO 9 -13.010 9.841 -1.010 52 H GLU 10 H GLU 10 -14.702 6.793 0.199 53 HA GLU 10 HA GLU 10 -16.853 5.670 1.852 54 HB2 GLU 10 2HB GLU 10 -15.659 4.947 -0.828 55 HB3 GLU 10 1HB GLU 10 -16.847 3.913 -0.032 56 HG2 GLU 10 2HG GLU 10 -18.128 6.260 0.210 57 HG3 GLU 10 1HG GLU 10 -17.194 6.613 -1.244 58 H ASN 11 H ASN 11 -13.508 5.392 1.785 59 HA ASN 11 HA ASN 11 -13.239 2.560 2.301 60 HB2 ASN 11 2HB ASN 11 -11.424 4.230 1.537 61 HB3 ASN 11 1HB ASN 11 -11.314 4.685 3.237 62 HD21 ASN 11 1HD2 ASN 11 -9.196 3.330 1.709 63 HD22 ASN 11 2HD2 ASN 11 -8.943 1.826 2.451 64 HA PRO 12 HA PRO 12 -14.732 2.985 6.508 65 HB2 PRO 12 2HB PRO 12 -14.799 0.281 7.000 66 HB3 PRO 12 1HB PRO 12 -16.069 1.145 6.115 67 HG2 PRO 12 2HG PRO 12 -13.956 -0.675 5.062 68 HG3 PRO 12 1HG PRO 12 -15.550 -0.296 4.388 69 HD2 PRO 12 2HD PRO 12 -13.073 0.768 3.510 70 HD3 PRO 12 1HD PRO 12 -14.687 1.363 3.063 71 H CYS 13 H CYS 13 -11.940 1.139 5.418 72 HA CYS 13 HA CYS 13 -10.770 0.478 7.910 73 HB2 CYS 13 2HB CYS 13 -10.064 -0.008 5.382 74 HB3 CYS 13 1HB CYS 13 -9.010 1.379 5.665 75 H CYS 14 H CYS 14 -10.812 3.507 6.108 76 HA CYS 14 HA CYS 14 -9.158 4.743 8.266 77 HB2 CYS 14 2HB CYS 14 -8.588 6.474 6.691 78 HB3 CYS 14 1HB CYS 14 -8.364 4.931 5.868 79 H ASP 15 H ASP 15 -9.992 6.468 9.419 80 HA ASP 15 HA ASP 15 -12.833 6.747 9.623 81 HB2 ASP 15 2HB ASP 15 -10.967 7.348 11.338 82 HB3 ASP 15 1HB ASP 15 -10.887 8.885 10.474 83 H ALA 16 H ALA 16 -14.209 7.997 8.432 84 HA ALA 16 HA ALA 16 -13.327 9.377 6.085 85 HB1 ALA 16 1HB ALA 16 -15.750 10.444 6.409 86 HB2 ALA 16 2HB ALA 16 -15.901 9.144 7.592 87 HB3 ALA 16 3HB ALA 16 -15.553 8.766 5.904 88 H ALA 17 H ALA 17 -14.190 10.507 9.341 89 HA ALA 17 HA ALA 17 -14.008 13.309 8.758 90 HB1 ALA 17 1HB ALA 17 -13.501 13.391 11.323 91 HB2 ALA 17 2HB ALA 17 -13.846 11.661 11.272 92 HB3 ALA 17 3HB ALA 17 -15.081 12.822 10.785 93 H THR 18 H THR 18 -11.635 11.175 10.407 94 HA THR 18 HA THR 18 -9.540 13.195 9.894 95 HB THR 18 HB THR 18 -8.099 11.651 11.229 96 HG1 THR 18 1HG THR 18 -9.710 10.041 12.323 97 HG21 THR 18 3HG2 THR 18 -10.162 13.290 12.093 98 HG22 THR 18 1HG2 THR 18 -8.890 12.617 13.112 99 HG23 THR 18 2HG2 THR 18 -10.441 11.790 12.977 100 H CYS 19 H CYS 19 -10.924 11.204 7.906 101 HA CYS 19 HA CYS 19 -10.244 9.668 6.216 102 HB2 CYS 19 2HB CYS 19 -8.282 10.902 4.903 103 HB3 CYS 19 1HB CYS 19 -9.927 11.511 4.871 104 H LYS 20 H LYS 20 -8.918 8.994 8.729 105 HA LYS 20 HA LYS 20 -6.435 7.854 7.524 106 HB2 LYS 20 2HB LYS 20 -6.629 9.078 10.291 107 HB3 LYS 20 1HB LYS 20 -5.224 8.233 9.640 108 HG2 LYS 20 2HG LYS 20 -6.150 10.304 7.813 109 HG3 LYS 20 1HG LYS 20 -5.759 10.970 9.400 110 HD2 LYS 20 2HD LYS 20 -3.835 8.985 8.327 111 HD3 LYS 20 1HD LYS 20 -3.898 10.530 7.479 112 HE2 LYS 20 2HE LYS 20 -3.748 11.623 9.802 113 HE3 LYS 20 1HE LYS 20 -3.284 10.028 10.393 114 HZ1 LYS 20 3HZ LYS 20 -1.286 10.148 9.410 115 HZ2 LYS 20 1HZ LYS 20 -1.558 11.822 9.437 116 HZ3 LYS 20 2HZ LYS 20 -1.881 10.932 8.026 117 H LEU 21 H LEU 21 -5.654 5.924 8.685 118 HA LEU 21 HA LEU 21 -7.639 3.988 9.101 119 HB2 LEU 21 2HB LEU 21 -4.793 4.163 10.113 120 HB3 LEU 21 1HB LEU 21 -5.801 2.735 10.361 121 HG LEU 21 HG LEU 21 -5.892 3.670 7.598 122 HD11 LEU 21 1HD1 LEU 21 -3.476 4.225 8.531 123 HD12 LEU 21 2HD1 LEU 21 -3.667 3.451 6.957 124 HD13 LEU 21 3HD1 LEU 21 -3.247 2.483 8.371 125 HD21 LEU 21 3HD2 LEU 21 -6.295 1.336 8.988 126 HD22 LEU 21 1HD2 LEU 21 -4.713 1.048 8.264 127 HD23 LEU 21 2HD2 LEU 21 -6.096 1.431 7.239 128 H ARG 22 H ARG 22 -9.211 4.047 10.615 129 HA ARG 22 HA ARG 22 -8.787 5.420 13.168 130 HB2 ARG 22 2HB ARG 22 -10.965 5.421 11.816 131 HB3 ARG 22 1HB ARG 22 -11.204 3.778 12.407 132 HG2 ARG 22 2HG ARG 22 -12.340 5.388 13.876 133 HG3 ARG 22 1HG ARG 22 -11.021 4.591 14.735 134 HD2 ARG 22 2HD ARG 22 -9.741 6.500 14.825 135 HD3 ARG 22 1HD ARG 22 -10.358 7.111 13.289 136 HE ARG 22 HE ARG 22 -12.558 7.415 14.778 137 HH11 ARG 22 1HH1 ARG 22 -10.357 6.980 17.030 138 HH12 ARG 22 2HH1 ARG 22 -10.198 8.619 17.565 139 HH21 ARG 22 1HH2 ARG 22 -11.886 9.952 14.847 140 HH22 ARG 22 2HH2 ARG 22 -11.062 10.301 16.330 141 HA PRO 23 HA PRO 23 -9.232 0.928 14.752 142 HB2 PRO 23 2HB PRO 23 -8.909 -1.095 12.916 143 HB3 PRO 23 1HB PRO 23 -10.479 -0.394 13.340 144 HG2 PRO 23 2HG PRO 23 -8.861 -0.011 10.870 145 HG3 PRO 23 1HG PRO 23 -10.611 0.142 11.100 146 HD2 PRO 23 2HD PRO 23 -8.755 2.273 10.933 147 HD3 PRO 23 1HD PRO 23 -10.448 2.398 11.457 148 H GLY 24 H GLY 24 -7.576 -1.314 14.241 149 HA2 GLY 24 2HA GLY 24 -4.919 -0.054 14.562 150 HA3 GLY 24 1HA GLY 24 -5.318 -1.729 14.941 151 H ALA 25 H ALA 25 -6.455 -0.587 11.900 152 HA ALA 25 HA ALA 25 -4.820 -2.505 10.472 153 HB1 ALA 25 1HB ALA 25 -5.820 -1.018 8.478 154 HB2 ALA 25 2HB ALA 25 -6.899 -0.483 9.766 155 HB3 ALA 25 3HB ALA 25 -6.808 -2.192 9.347 156 H GLN 26 H GLN 26 -2.981 -2.103 9.183 157 HA GLN 26 HA GLN 26 -1.475 0.302 9.861 158 HB2 GLN 26 2HB GLN 26 -0.942 -2.300 8.678 159 HB3 GLN 26 1HB GLN 26 -0.144 -1.011 7.776 160 HG2 GLN 26 2HG GLN 26 1.453 -1.364 9.409 161 HG3 GLN 26 1HG GLN 26 0.458 -0.169 10.239 162 HE21 GLN 26 1HE2 GLN 26 0.596 -0.913 12.401 163 HE22 GLN 26 2HE2 GLN 26 0.117 -2.466 12.894 164 H CYS 27 H CYS 27 -3.395 -0.803 7.131 165 HA CYS 27 HA CYS 27 -3.168 1.898 5.963 166 HB2 CYS 27 2HB CYS 27 -1.477 1.134 4.618 167 HB3 CYS 27 1HB CYS 27 -1.946 -0.551 4.795 168 H GLY 28 H GLY 28 -4.886 2.356 4.474 169 HA2 GLY 28 2HA GLY 28 -7.232 0.571 4.836 170 HA3 GLY 28 1HA GLY 28 -7.305 2.260 4.342 171 H GLU 29 H GLU 29 -5.185 2.047 2.396 172 HA GLU 29 HA GLU 29 -6.154 0.033 0.469 173 HB2 GLU 29 2HB GLU 29 -6.759 1.602 -1.204 174 HB3 GLU 29 1HB GLU 29 -7.546 2.161 0.263 175 HG2 GLU 29 2HG GLU 29 -6.007 3.915 0.576 176 HG3 GLU 29 1HG GLU 29 -4.821 3.193 -0.510 177 H GLY 30 H GLY 30 -4.560 -0.510 -1.064 178 HA2 GLY 30 2HA GLY 30 -2.402 0.815 -2.048 179 HA3 GLY 30 1HA GLY 30 -1.846 0.427 -0.418 180 H LEU 31 H LEU 31 -0.564 -0.647 -2.690 181 HA LEU 31 HA LEU 31 -1.544 -3.267 -3.379 182 HB2 LEU 31 2HB LEU 31 1.241 -2.071 -3.481 183 HB3 LEU 31 1HB LEU 31 0.818 -3.642 -4.162 184 HG LEU 31 HG LEU 31 -0.640 -1.102 -4.914 185 HD11 LEU 31 1HD1 LEU 31 0.842 -1.584 -7.089 186 HD12 LEU 31 2HD1 LEU 31 1.950 -2.230 -5.878 187 HD13 LEU 31 3HD1 LEU 31 1.423 -0.549 -5.784 188 HD21 LEU 31 3HD2 LEU 31 -1.984 -2.749 -5.751 189 HD22 LEU 31 1HD2 LEU 31 -0.707 -3.964 -5.679 190 HD23 LEU 31 2HD2 LEU 31 -0.767 -2.825 -7.025 191 H CYS 32 H CYS 32 0.642 -2.042 -0.885 192 HA CYS 32 HA CYS 32 1.049 -4.782 0.167 193 HB2 CYS 32 2HB CYS 32 2.584 -2.407 0.148 194 HB3 CYS 32 1HB CYS 32 2.146 -2.695 1.833 195 H CYS 33 H CYS 33 -1.610 -3.950 0.299 196 HA CYS 33 HA CYS 33 -1.929 -3.504 3.236 197 HB2 CYS 33 2HB CYS 33 -3.736 -2.464 1.041 198 HB3 CYS 33 1HB CYS 33 -3.957 -2.209 2.771 199 H GLU 34 H GLU 34 -1.938 -5.959 3.134 200 HA GLU 34 HA GLU 34 -4.401 -7.127 1.992 201 HB2 GLU 34 2HB GLU 34 -1.971 -8.195 2.046 202 HB3 GLU 34 1HB GLU 34 -2.460 -8.688 3.668 203 HG2 GLU 34 2HG GLU 34 -4.690 -9.296 2.151 204 HG3 GLU 34 1HG GLU 34 -3.359 -9.695 1.064 205 H GLN 35 H GLN 35 -6.201 -7.226 3.242 206 HA GLN 35 HA GLN 35 -7.534 -7.323 5.171 207 HB2 GLN 35 2HB GLN 35 -5.148 -8.802 5.825 208 HB3 GLN 35 1HB GLN 35 -5.661 -7.871 7.232 209 HG2 GLN 35 2HG GLN 35 -7.555 -9.102 7.516 210 HG3 GLN 35 1HG GLN 35 -7.853 -9.218 5.780 211 HE21 GLN 35 1HE2 GLN 35 -7.101 -11.103 4.685 212 HE22 GLN 35 2HE2 GLN 35 -6.283 -12.369 5.466 213 H CYS 36 H CYS 36 -6.029 -4.962 4.266 214 HA CYS 36 HA CYS 36 -5.749 -2.749 4.966 215 HB2 CYS 36 2HB CYS 36 -7.379 -3.942 7.145 216 HB3 CYS 36 1HB CYS 36 -6.497 -2.475 7.536 217 H LYS 37 H LYS 37 -3.976 -5.247 5.860 218 HA LYS 37 HA LYS 37 -2.308 -3.698 7.796 219 HB2 LYS 37 2HB LYS 37 -2.038 -6.655 7.249 220 HB3 LYS 37 1HB LYS 37 -1.508 -5.749 8.666 221 HG2 LYS 37 2HG LYS 37 -4.355 -5.416 8.282 222 HG3 LYS 37 1HG LYS 37 -3.946 -7.130 8.349 223 HD2 LYS 37 2HD LYS 37 -2.719 -6.767 10.452 224 HD3 LYS 37 1HD LYS 37 -3.101 -5.046 10.382 225 HE2 LYS 37 2HE LYS 37 -4.843 -5.733 11.725 226 HE3 LYS 37 1HE LYS 37 -5.590 -6.008 10.151 227 HZ1 LYS 37 3HZ LYS 37 -4.940 -8.297 10.233 228 HZ2 LYS 37 1HZ LYS 37 -5.777 -7.924 11.659 229 HZ3 LYS 37 2HZ LYS 37 -4.084 -8.059 11.680 230 H PHE 38 H PHE 38 0.108 -4.112 7.491 231 HA PHE 38 HA PHE 38 0.782 -3.630 4.690 232 HB2 PHE 38 2HB PHE 38 2.467 -3.943 7.186 233 HB3 PHE 38 1HB PHE 38 3.150 -3.609 5.599 234 HD1 PHE 38 1HD PHE 38 0.567 -1.853 4.837 235 HD2 PHE 38 2HD PHE 38 3.402 -1.846 8.066 236 HE1 PHE 38 1HE PHE 38 0.162 0.562 5.192 237 HE2 PHE 38 2HE PHE 38 2.991 0.572 8.419 238 HZ PHE 38 HZ PHE 38 1.369 1.776 6.982 239 H SER 39 H SER 39 1.200 -5.228 3.238 240 HA SER 39 HA SER 39 1.196 -7.995 3.924 241 HB2 SER 39 2HB SER 39 2.424 -6.673 1.486 242 HB3 SER 39 1HB SER 39 2.015 -8.379 1.635 243 HG SER 39 HG SER 39 0.132 -6.301 2.029 244 H ARG 40 H ARG 40 3.492 -9.040 2.597 245 HA ARG 40 HA ARG 40 5.548 -8.423 4.663 246 HB2 ARG 40 2HB ARG 40 4.851 -10.826 3.031 247 HB3 ARG 40 1HB ARG 40 6.543 -10.606 3.478 248 HG2 ARG 40 2HG ARG 40 6.148 -11.100 5.651 249 HG3 ARG 40 1HG ARG 40 4.693 -10.105 5.697 250 HD2 ARG 40 2HD ARG 40 4.109 -12.326 4.031 251 HD3 ARG 40 1HD ARG 40 4.898 -12.964 5.473 252 HE ARG 40 HE ARG 40 2.235 -11.914 5.384 253 HH11 ARG 40 1HH2 ARG 40 3.446 -13.680 7.540 254 HH12 ARG 40 2HH2 ARG 40 3.394 -12.626 8.914 255 HH21 ARG 40 1HH1 ARG 40 2.896 -9.759 7.027 256 HH22 ARG 40 2HH1 ARG 40 3.081 -10.406 8.623 257 H ALA 41 H ALA 41 7.872 -8.575 3.838 258 HA ALA 41 HA ALA 41 8.152 -6.785 1.538 259 HB1 ALA 41 1HB ALA 41 10.383 -6.522 2.205 260 HB2 ALA 41 2HB ALA 41 10.469 -8.143 2.899 261 HB3 ALA 41 3HB ALA 41 9.585 -6.868 3.740 262 H GLY 42 H GLY 42 9.703 -7.354 -0.247 263 HA2 GLY 42 2HA GLY 42 10.438 -8.825 -1.934 264 HA3 GLY 42 1HA GLY 42 10.309 -10.137 -0.761 265 H LYS 43 H LYS 43 7.534 -8.133 -1.129 266 HA LYS 43 HA LYS 43 6.108 -10.425 -2.373 267 HB2 LYS 43 2HB LYS 43 4.600 -9.818 -0.801 268 HB3 LYS 43 1HB LYS 43 5.403 -8.281 -0.519 269 HG2 LYS 43 2HG LYS 43 3.205 -7.739 -1.299 270 HG3 LYS 43 1HG LYS 43 4.267 -7.454 -2.669 271 HD2 LYS 43 2HD LYS 43 3.435 -9.232 -3.857 272 HD3 LYS 43 1HD LYS 43 3.157 -10.201 -2.409 273 HE2 LYS 43 2HE LYS 43 1.472 -7.843 -2.391 274 HE3 LYS 43 1HE LYS 43 1.227 -8.769 -3.873 275 HZ1 LYS 43 3HZ LYS 43 0.086 -9.329 -1.499 276 HZ2 LYS 43 1HZ LYS 43 1.417 -10.379 -1.489 277 HZ3 LYS 43 2HZ LYS 43 0.293 -10.447 -2.761 278 H ILE 44 H ILE 44 5.448 -10.396 -4.472 279 HA ILE 44 HA ILE 44 6.333 -8.349 -6.256 280 HB ILE 44 HB ILE 44 4.669 -10.797 -6.433 281 HG12 ILE 44 2HG1 ILE 44 7.063 -10.734 -6.978 282 HG13 ILE 44 1HG1 ILE 44 6.117 -11.110 -8.422 283 HG21 ILE 44 1HG2 ILE 44 4.029 -10.126 -8.829 284 HG22 ILE 44 2HG2 ILE 44 4.330 -8.462 -8.327 285 HG23 ILE 44 3HG2 ILE 44 3.071 -9.408 -7.534 286 HD11 ILE 44 3HD1 ILE 44 7.759 -8.745 -7.826 287 HD12 ILE 44 1HD1 ILE 44 6.158 -8.358 -8.457 288 HD13 ILE 44 2HD1 ILE 44 7.244 -9.394 -9.382 289 H CYS 45 H CYS 45 5.598 -6.290 -5.853 290 HA CYS 45 HA CYS 45 2.668 -5.926 -5.475 291 HB2 CYS 45 2HB CYS 45 3.414 -3.491 -5.009 292 HB3 CYS 45 1HB CYS 45 3.765 -4.700 -3.778 293 H ARG 46 H ARG 46 5.156 -5.627 -7.776 294 HA ARG 46 HA ARG 46 3.244 -4.485 -9.703 295 HB2 ARG 46 2HB ARG 46 5.062 -2.786 -8.385 296 HB3 ARG 46 1HB ARG 46 5.748 -3.058 -9.988 297 HG2 ARG 46 2HG ARG 46 3.751 -2.296 -11.072 298 HG3 ARG 46 1HG ARG 46 2.850 -2.303 -9.555 299 HD2 ARG 46 2HD ARG 46 5.321 -0.616 -9.769 300 HD3 ARG 46 1HD ARG 46 3.824 -0.039 -10.502 301 HE ARG 46 HE ARG 46 4.305 -0.404 -7.608 302 HH11 ARG 46 1HH2 ARG 46 1.768 -0.700 -9.810 303 HH12 ARG 46 2HH2 ARG 46 0.720 0.425 -9.012 304 HH21 ARG 46 1HH1 ARG 46 3.126 1.462 -6.740 305 HH22 ARG 46 2HH1 ARG 46 1.489 1.649 -7.274 306 H ILE 47 H ILE 47 3.994 -4.719 -11.914 307 HA ILE 47 HA ILE 47 5.970 -6.928 -12.165 308 HB ILE 47 HB ILE 47 3.600 -7.077 -13.129 309 HG12 ILE 47 2HG1 ILE 47 5.636 -7.337 -15.320 310 HG13 ILE 47 1HG1 ILE 47 5.810 -8.319 -13.864 311 HG21 ILE 47 1HG2 ILE 47 3.741 -4.675 -14.010 312 HG22 ILE 47 2HG2 ILE 47 3.097 -5.879 -15.128 313 HG23 ILE 47 3HG2 ILE 47 4.760 -5.317 -15.297 314 HD11 ILE 47 3HD1 ILE 47 3.316 -8.918 -14.215 315 HD12 ILE 47 1HD1 ILE 47 4.496 -9.666 -15.292 316 HD13 ILE 47 2HD1 ILE 47 3.540 -8.292 -15.849 317 H ALA 48 H ALA 48 7.709 -6.747 -13.686 318 HA ALA 48 HA ALA 48 8.894 -4.150 -13.898 319 HB1 ALA 48 1HB ALA 48 10.053 -5.697 -15.912 320 HB2 ALA 48 2HB ALA 48 9.548 -6.877 -14.702 321 HB3 ALA 48 3HB ALA 48 10.627 -5.557 -14.250 322 H ARG 49 H ARG 49 8.261 -2.534 -15.241 323 HA ARG 49 HA ARG 49 6.392 -2.981 -17.404 324 HB2 ARG 49 2HB ARG 49 8.114 -0.534 -16.918 325 HB3 ARG 49 1HB ARG 49 6.605 -0.605 -17.828 326 HG2 ARG 49 2HG ARG 49 6.842 -1.278 -14.882 327 HG3 ARG 49 1HG ARG 49 6.322 0.291 -15.499 328 HD2 ARG 49 2HD ARG 49 4.935 -2.117 -16.577 329 HD3 ARG 49 1HD ARG 49 4.570 -1.656 -14.915 330 HE ARG 49 HE ARG 49 3.922 0.598 -15.830 331 HH11 ARG 49 1HH1 ARG 49 1.836 -1.246 -16.741 332 HH12 ARG 49 2HH1 ARG 49 1.807 -1.004 -18.456 333 HH21 ARG 49 1HH2 ARG 49 4.912 0.538 -18.556 334 HH22 ARG 49 2HH2 ARG 49 3.550 0.007 -19.485 335 H GLY 50 H GLY 50 7.899 -4.705 -18.378 336 HA2 GLY 50 2HA GLY 50 8.789 -4.296 -20.851 337 HA3 GLY 50 1HA GLY 50 10.112 -3.535 -19.972 338 H ASP 51 H ASP 51 11.642 -4.846 -18.997 339 HA ASP 51 HA ASP 51 11.145 -7.697 -18.569 340 HB2 ASP 51 2HB ASP 51 12.234 -6.817 -21.068 341 HB3 ASP 51 1HB ASP 51 13.503 -7.656 -20.175 342 H TRP 52 H TRP 52 11.757 -6.021 -16.602 343 HA TRP 52 HA TRP 52 14.647 -6.564 -16.075 344 HB2 TRP 52 2HB TRP 52 14.009 -4.297 -14.557 345 HB3 TRP 52 1HB TRP 52 15.023 -4.342 -15.996 346 HD1 TRP 52 HD TRP 52 11.289 -3.960 -15.064 347 HE1 TRP 52 1HE TRP 52 10.175 -2.441 -16.824 348 HE3 TRP 52 3HE TRP 52 15.219 -3.272 -18.245 349 HZ2 TRP 52 2HZ TRP 52 10.862 -1.111 -19.262 350 HZ3 TRP 52 3HZ TRP 52 14.965 -1.878 -20.277 351 HH2 TRP 52 HH TRP 52 12.793 -0.798 -20.790 352 H ASN 53 H ASN 53 14.809 -5.803 -13.461 353 HA ASN 53 HA ASN 53 13.657 -7.957 -12.045 354 HB2 ASN 53 2HB ASN 53 15.035 -5.440 -11.339 355 HB3 ASN 53 1HB ASN 53 13.983 -6.085 -10.079 356 HD21 ASN 53 1HD2 ASN 53 14.345 -8.502 -9.565 357 HD22 ASN 53 2HD2 ASN 53 15.932 -9.095 -9.670 358 H ASP 54 H ASP 54 11.736 -8.204 -10.914 359 HA ASP 54 HA ASP 54 9.560 -6.381 -11.620 360 HB2 ASP 54 2HB ASP 54 9.786 -8.992 -10.156 361 HB3 ASP 54 1HB ASP 54 8.323 -8.023 -9.974 362 H ASP 55 H ASP 55 7.996 -5.814 -9.702 363 HA ASP 55 HA ASP 55 9.594 -4.277 -7.767 364 HB2 ASP 55 2HB ASP 55 6.969 -4.075 -8.945 365 HB3 ASP 55 1HB ASP 55 6.835 -4.029 -7.188 366 H ARG 56 H ARG 56 9.496 -4.586 -5.508 367 HA ARG 56 HA ARG 56 8.071 -7.043 -4.570 368 HB2 ARG 56 2HB ARG 56 10.948 -6.239 -4.066 369 HB3 ARG 56 1HB ARG 56 10.100 -7.430 -3.082 370 HG2 ARG 56 2HG ARG 56 10.057 -7.733 -6.062 371 HG3 ARG 56 1HG ARG 56 11.511 -8.201 -5.181 372 HD2 ARG 56 2HD ARG 56 10.358 -9.836 -3.918 373 HD3 ARG 56 1HD ARG 56 8.781 -9.160 -4.327 374 HE ARG 56 HE ARG 56 9.191 -9.988 -6.671 375 HH11 ARG 56 1HH1 ARG 56 9.075 -12.208 -4.481 376 HH12 ARG 56 2HH1 ARG 56 10.329 -13.256 -5.056 377 HH21 ARG 56 1HH2 ARG 56 11.661 -10.909 -7.231 378 HH22 ARG 56 2HH2 ARG 56 11.791 -12.521 -6.612 379 H CYS 57 H CYS 57 6.853 -6.627 -2.816 380 HA CYS 57 HA CYS 57 6.616 -4.038 -1.665 381 HB2 CYS 57 2HB CYS 57 5.413 -6.628 -1.330 382 HB3 CYS 57 1HB CYS 57 5.779 -5.953 0.254 383 H THR 58 H THR 58 7.279 -3.308 0.438 384 HA THR 58 HA THR 58 9.878 -4.436 1.278 385 HB THR 58 HB THR 58 9.705 -2.347 2.863 386 HG1 THR 58 1HG THR 58 8.260 -1.040 1.024 387 HG21 THR 58 3HG2 THR 58 10.240 -2.497 -0.075 388 HG22 THR 58 1HG2 THR 58 11.353 -2.164 1.252 389 HG23 THR 58 2HG2 THR 58 10.245 -0.910 0.694 390 H GLY 59 H GLY 59 6.658 -4.864 2.072 391 HA2 GLY 59 2HA GLY 59 5.789 -6.221 3.814 392 HA3 GLY 59 1HA GLY 59 7.385 -6.226 4.566 393 H GLN 60 H GLN 60 5.950 -3.206 3.593 394 HA GLN 60 HA GLN 60 4.636 -2.599 6.090 395 HB2 GLN 60 2HB GLN 60 6.322 -0.878 6.842 396 HB3 GLN 60 1HB GLN 60 6.859 -2.548 7.023 397 HG2 GLN 60 2HG GLN 60 7.848 -2.211 4.618 398 HG3 GLN 60 1HG GLN 60 7.726 -0.494 5.007 399 HE21 GLN 60 1HE2 GLN 60 9.037 -3.563 6.367 400 HE22 GLN 60 2HE2 GLN 60 10.348 -2.827 7.156 401 H SER 61 H SER 61 6.244 -1.440 3.167 402 HA SER 61 HA SER 61 4.880 1.142 3.213 403 HB2 SER 61 2HB SER 61 7.035 0.935 2.077 404 HB3 SER 61 1HB SER 61 6.379 -0.297 1.002 405 HG SER 61 HG SER 61 5.957 1.397 -0.192 406 H ALA 62 H ALA 62 2.667 1.052 3.042 407 HA ALA 62 HA ALA 62 1.187 -0.974 1.703 408 HB1 ALA 62 1HB ALA 62 0.606 1.771 2.710 409 HB2 ALA 62 2HB ALA 62 -0.208 0.248 3.066 410 HB3 ALA 62 3HB ALA 62 -0.529 1.086 1.547 411 H ASP 63 H ASP 63 2.642 2.011 0.528 412 HA ASP 63 HA ASP 63 1.439 1.552 -2.152 413 HB2 ASP 63 2HB ASP 63 3.285 3.836 -1.564 414 HB3 ASP 63 1HB ASP 63 1.874 3.784 -2.621 415 H CYS 64 H CYS 64 2.622 -0.037 -3.166 416 HA CYS 64 HA CYS 64 5.381 -0.566 -2.824 417 HB2 CYS 64 2HB CYS 64 3.870 -2.132 -3.933 418 HB3 CYS 64 1HB CYS 64 3.643 -1.004 -5.268 419 HA PRO 65 HA PRO 65 7.063 2.978 -4.806 420 HB2 PRO 65 2HB PRO 65 9.661 2.230 -4.390 421 HB3 PRO 65 1HB PRO 65 8.653 2.963 -3.142 422 HG2 PRO 65 2HG PRO 65 9.572 0.153 -3.429 423 HG3 PRO 65 1HG PRO 65 9.044 1.017 -1.975 424 HD2 PRO 65 2HD PRO 65 7.516 -0.842 -3.487 425 HD3 PRO 65 1HD PRO 65 6.925 0.198 -2.175 426 H ARG 66 H ARG 66 8.010 3.429 -6.837 427 HA ARG 66 HA ARG 66 8.511 1.047 -8.566 428 HB2 ARG 66 2HB ARG 66 8.256 2.874 -10.411 429 HB3 ARG 66 1HB ARG 66 6.805 2.311 -9.582 430 HG2 ARG 66 2HG ARG 66 6.538 4.275 -8.412 431 HG3 ARG 66 1HG ARG 66 8.271 4.600 -8.357 432 HD2 ARG 66 2HD ARG 66 7.639 4.679 -11.079 433 HD3 ARG 66 1HD ARG 66 6.292 5.501 -10.294 434 HE ARG 66 HE ARG 66 8.498 6.626 -9.081 435 HH11 ARG 66 1HH2 ARG 66 6.944 6.580 -12.116 436 HH12 ARG 66 2HH2 ARG 66 8.009 7.734 -12.849 437 HH21 ARG 66 1HH1 ARG 66 10.133 7.909 -10.113 438 HH22 ARG 66 2HH1 ARG 66 9.813 8.484 -11.715 439 H TYR 67 H TYR 67 10.553 0.740 -9.350 440 HA TYR 67 HA TYR 67 12.684 2.524 -8.465 441 HB2 TYR 67 2HB TYR 67 13.112 0.343 -10.481 442 HB3 TYR 67 1HB TYR 67 14.153 0.852 -9.152 443 HD1 TYR 67 1HD TYR 67 12.946 0.664 -6.737 444 HD2 TYR 67 2HD TYR 67 11.979 -1.673 -10.210 445 HE1 TYR 67 1HE TYR 67 11.945 -1.081 -5.286 446 HE2 TYR 67 2HE TYR 67 10.980 -3.417 -8.758 447 HH TYR 67 HH TYR 67 11.296 -4.162 -6.297 448 H HIS 68 H HIS 68 11.923 1.305 -11.754 449 HA HIS 68 HA HIS 68 13.218 3.664 -12.923 450 HB2 HIS 68 2HB HIS 68 11.847 1.231 -14.081 451 HB3 HIS 68 1HB HIS 68 12.397 2.565 -15.095 452 HD1 HIS 68 1HD HIS 68 15.064 3.290 -13.984 453 HD2 HIS 68 2HD HIS 68 13.831 -0.682 -14.248 454 HE1 HIS 68 1HE HIS 68 17.169 1.884 -13.952 Start of MODEL 10 1 H GLY 1 1HT GLY 1 0.815 18.921 7.349 2 HA2 GLY 1 1HA GLY 1 2.665 17.383 7.454 3 HA3 GLY 1 2HA GLY 1 2.059 16.790 8.999 4 H LYS 2 H LYS 2 2.096 14.724 7.586 5 HA LYS 2 HA LYS 2 0.006 14.446 5.580 6 HB2 LYS 2 2HB LYS 2 2.001 12.664 6.893 7 HB3 LYS 2 1HB LYS 2 0.568 11.893 6.212 8 HG2 LYS 2 2HG LYS 2 2.230 11.953 4.470 9 HG3 LYS 2 1HG LYS 2 1.016 13.170 4.072 10 HD2 LYS 2 2HD LYS 2 2.481 14.884 5.211 11 HD3 LYS 2 1HD LYS 2 3.727 13.641 5.341 12 HE2 LYS 2 2HE LYS 2 4.285 14.740 3.337 13 HE3 LYS 2 1HE LYS 2 3.373 13.336 2.781 14 HZ1 LYS 2 3HZ LYS 2 1.411 15.090 3.168 15 HZ2 LYS 2 1HZ LYS 2 2.206 14.893 1.683 16 HZ3 LYS 2 2HZ LYS 2 2.666 16.150 2.731 17 H GLU 3 H GLU 3 -2.113 13.950 5.941 18 HA GLU 3 HA GLU 3 -2.853 12.864 8.628 19 HB2 GLU 3 2HB GLU 3 -3.510 15.434 7.546 20 HB3 GLU 3 1HB GLU 3 -4.989 14.477 7.634 21 HG2 GLU 3 2HG GLU 3 -3.653 13.922 10.030 22 HG3 GLU 3 1HG GLU 3 -3.434 15.656 9.792 23 H CYS 4 H CYS 4 -2.871 12.342 5.353 24 HA CYS 4 HA CYS 4 -5.504 10.950 5.419 25 HB2 CYS 4 2HB CYS 4 -3.889 12.207 3.295 26 HB3 CYS 4 1HB CYS 4 -4.581 10.647 2.853 27 H ASP 5 H ASP 5 -5.122 8.973 6.371 28 HA ASP 5 HA ASP 5 -2.711 7.435 5.640 29 HB2 ASP 5 2HB ASP 5 -4.186 7.593 7.957 30 HB3 ASP 5 1HB ASP 5 -4.793 6.098 7.243 31 H CYS 6 H CYS 6 -5.219 8.068 3.893 32 HA CYS 6 HA CYS 6 -5.347 5.362 2.700 33 HB2 CYS 6 2HB CYS 6 -7.905 5.733 2.479 34 HB3 CYS 6 1HB CYS 6 -7.290 5.206 4.045 35 H SER 7 H SER 7 -6.579 5.548 0.518 36 HA SER 7 HA SER 7 -5.741 8.113 -0.742 37 HB2 SER 7 2HB SER 7 -5.784 5.313 -1.585 38 HB3 SER 7 1HB SER 7 -6.517 6.382 -2.777 39 HG SER 7 HG SER 7 -4.370 6.428 -3.202 40 H SER 8 H SER 8 -8.535 5.952 -0.369 41 HA SER 8 HA SER 8 -10.208 7.937 -1.821 42 HB2 SER 8 2HB SER 8 -11.487 5.482 -0.793 43 HB3 SER 8 1HB SER 8 -11.579 6.214 -2.392 44 HG SER 8 HG SER 8 -9.592 4.523 -1.304 45 HA PRO 9 HA PRO 9 -11.672 9.362 2.117 46 HB2 PRO 9 2HB PRO 9 -13.611 11.035 1.119 47 HB3 PRO 9 1HB PRO 9 -11.884 11.432 1.119 48 HG2 PRO 9 2HG PRO 9 -13.619 10.617 -1.162 49 HG3 PRO 9 1HG PRO 9 -12.129 11.574 -1.173 50 HD2 PRO 9 2HD PRO 9 -12.362 8.831 -1.868 51 HD3 PRO 9 1HD PRO 9 -10.849 9.723 -1.598 52 H GLU 10 H GLU 10 -13.112 7.086 0.294 53 HA GLU 10 HA GLU 10 -15.614 7.113 1.938 54 HB2 GLU 10 2HB GLU 10 -16.775 6.042 0.085 55 HB3 GLU 10 1HB GLU 10 -16.013 7.522 -0.504 56 HG2 GLU 10 2HG GLU 10 -14.926 6.302 -2.050 57 HG3 GLU 10 1HG GLU 10 -14.074 5.471 -0.748 58 H ASN 11 H ASN 11 -12.817 5.802 2.157 59 HA ASN 11 HA ASN 11 -13.524 2.943 2.004 60 HB2 ASN 11 2HB ASN 11 -11.156 4.300 1.688 61 HB3 ASN 11 1HB ASN 11 -11.005 3.690 3.335 62 HD21 ASN 11 1HD2 ASN 11 -9.600 1.907 3.006 63 HD22 ASN 11 2HD2 ASN 11 -9.955 0.610 1.970 64 HA PRO 12 HA PRO 12 -14.775 2.804 6.232 65 HB2 PRO 12 2HB PRO 12 -14.695 0.071 6.519 66 HB3 PRO 12 1HB PRO 12 -15.989 0.930 5.666 67 HG2 PRO 12 2HG PRO 12 -13.743 -0.678 4.541 68 HG3 PRO 12 1HG PRO 12 -15.343 -0.348 3.854 69 HD2 PRO 12 2HD PRO 12 -12.929 0.927 3.110 70 HD3 PRO 12 1HD PRO 12 -14.568 1.468 2.690 71 H CYS 13 H CYS 13 -11.946 0.866 5.233 72 HA CYS 13 HA CYS 13 -10.899 0.468 7.864 73 HB2 CYS 13 2HB CYS 13 -10.231 -0.556 5.498 74 HB3 CYS 13 1HB CYS 13 -9.042 0.744 5.537 75 H CYS 14 H CYS 14 -11.177 3.298 6.017 76 HA CYS 14 HA CYS 14 -9.148 4.617 7.772 77 HB2 CYS 14 2HB CYS 14 -8.183 4.547 5.563 78 HB3 CYS 14 1HB CYS 14 -9.686 5.110 4.833 79 H ASP 15 H ASP 15 -10.010 6.252 8.950 80 HA ASP 15 HA ASP 15 -12.778 6.915 8.862 81 HB2 ASP 15 2HB ASP 15 -10.958 7.312 10.722 82 HB3 ASP 15 1HB ASP 15 -10.736 8.858 9.903 83 H ALA 16 H ALA 16 -13.870 8.241 7.489 84 HA ALA 16 HA ALA 16 -12.501 9.602 5.336 85 HB1 ALA 16 1HB ALA 16 -15.218 10.542 5.821 86 HB2 ALA 16 2HB ALA 16 -15.123 8.780 5.845 87 HB3 ALA 16 3HB ALA 16 -14.568 9.675 4.430 88 H ALA 17 H ALA 17 -14.065 10.687 8.343 89 HA ALA 17 HA ALA 17 -13.834 13.483 7.905 90 HB1 ALA 17 1HB ALA 17 -14.406 13.721 10.137 91 HB2 ALA 17 2HB ALA 17 -13.381 12.381 10.649 92 HB3 ALA 17 3HB ALA 17 -14.929 12.058 9.869 93 H THR 18 H THR 18 -11.602 11.314 9.681 94 HA THR 18 HA THR 18 -9.534 13.423 9.596 95 HB THR 18 HB THR 18 -8.305 12.059 11.130 96 HG1 THR 18 1HG THR 18 -9.508 9.893 11.529 97 HG21 THR 18 3HG2 THR 18 -9.733 12.343 12.861 98 HG22 THR 18 1HG2 THR 18 -10.910 11.219 12.181 99 HG23 THR 18 2HG2 THR 18 -10.888 12.901 11.650 100 H CYS 19 H CYS 19 -10.586 11.021 7.548 101 HA CYS 19 HA CYS 19 -9.594 9.888 5.745 102 HB2 CYS 19 2HB CYS 19 -9.145 12.267 5.123 103 HB3 CYS 19 1HB CYS 19 -7.596 12.161 5.960 104 H LYS 20 H LYS 20 -8.710 9.201 8.506 105 HA LYS 20 HA LYS 20 -6.079 8.001 7.748 106 HB2 LYS 20 2HB LYS 20 -6.784 9.654 10.107 107 HB3 LYS 20 1HB LYS 20 -5.825 8.213 10.439 108 HG2 LYS 20 2HG LYS 20 -4.699 9.402 8.130 109 HG3 LYS 20 1HG LYS 20 -4.977 10.711 9.278 110 HD2 LYS 20 2HD LYS 20 -3.785 8.169 10.309 111 HD3 LYS 20 1HD LYS 20 -2.751 9.254 9.376 112 HE2 LYS 20 2HE LYS 20 -4.234 10.870 11.181 113 HE3 LYS 20 1HE LYS 20 -3.601 9.509 12.108 114 HZ1 LYS 20 3HZ LYS 20 -1.505 10.203 11.850 115 HZ2 LYS 20 1HZ LYS 20 -2.199 11.709 11.494 116 HZ3 LYS 20 2HZ LYS 20 -1.737 10.670 10.233 117 H LEU 21 H LEU 21 -5.625 5.970 8.907 118 HA LEU 21 HA LEU 21 -7.633 4.066 8.842 119 HB2 LEU 21 2HB LEU 21 -5.100 4.283 10.429 120 HB3 LEU 21 1HB LEU 21 -6.204 2.950 10.767 121 HG LEU 21 HG LEU 21 -5.689 3.449 7.899 122 HD11 LEU 21 1HD1 LEU 21 -3.457 3.796 9.205 123 HD12 LEU 21 2HD1 LEU 21 -3.468 2.690 7.832 124 HD13 LEU 21 3HD1 LEU 21 -3.537 2.055 9.476 125 HD21 LEU 21 3HD2 LEU 21 -6.644 1.390 9.590 126 HD22 LEU 21 1HD2 LEU 21 -5.140 0.793 8.890 127 HD23 LEU 21 2HD2 LEU 21 -6.451 1.329 7.838 128 H ARG 22 H ARG 22 -9.522 3.898 9.937 129 HA ARG 22 HA ARG 22 -9.976 5.483 12.351 130 HB2 ARG 22 2HB ARG 22 -11.599 4.447 10.329 131 HB3 ARG 22 1HB ARG 22 -12.036 3.513 11.760 132 HG2 ARG 22 2HG ARG 22 -11.697 6.381 12.296 133 HG3 ARG 22 1HG ARG 22 -13.003 6.024 11.165 134 HD2 ARG 22 2HD ARG 22 -13.538 4.124 12.966 135 HD3 ARG 22 1HD ARG 22 -12.722 5.261 14.038 136 HE ARG 22 HE ARG 22 -14.470 6.924 12.846 137 HH11 ARG 22 1HH1 ARG 22 -15.872 4.258 12.070 138 HH12 ARG 22 2HH1 ARG 22 -17.092 4.192 13.298 139 HH21 ARG 22 1HH2 ARG 22 -15.604 6.616 15.280 140 HH22 ARG 22 2HH2 ARG 22 -16.941 5.529 15.116 141 HA PRO 23 HA PRO 23 -10.272 1.155 14.340 142 HB2 PRO 23 2HB PRO 23 -9.663 -1.019 12.773 143 HB3 PRO 23 1HB PRO 23 -11.297 -0.346 12.919 144 HG2 PRO 23 2HG PRO 23 -9.379 -0.139 10.648 145 HG3 PRO 23 1HG PRO 23 -11.147 -0.038 10.635 146 HD2 PRO 23 2HD PRO 23 -9.344 2.149 10.496 147 HD3 PRO 23 1HD PRO 23 -11.095 2.247 10.772 148 H GLY 24 H GLY 24 -8.544 -0.945 14.521 149 HA2 GLY 24 2HA GLY 24 -5.930 0.407 14.771 150 HA3 GLY 24 1HA GLY 24 -6.348 -1.169 15.445 151 H ALA 25 H ALA 25 -6.853 -0.141 12.093 152 HA ALA 25 HA ALA 25 -5.387 -2.513 11.171 153 HB1 ALA 25 1HB ALA 25 -6.032 -1.293 8.877 154 HB2 ALA 25 2HB ALA 25 -7.174 -0.462 9.934 155 HB3 ALA 25 3HB ALA 25 -7.219 -2.219 9.796 156 H GLN 26 H GLN 26 -3.403 -2.469 10.081 157 HA GLN 26 HA GLN 26 -1.707 -0.163 10.593 158 HB2 GLN 26 2HB GLN 26 -1.311 -2.891 10.076 159 HB3 GLN 26 1HB GLN 26 -0.605 -2.060 8.689 160 HG2 GLN 26 2HG GLN 26 1.014 -1.037 9.950 161 HG3 GLN 26 1HG GLN 26 -0.030 -0.908 11.364 162 HE21 GLN 26 1HE2 GLN 26 0.196 -2.499 12.978 163 HE22 GLN 26 2HE2 GLN 26 1.152 -3.892 12.812 164 H CYS 27 H CYS 27 -3.700 -1.188 7.959 165 HA CYS 27 HA CYS 27 -2.903 1.209 6.443 166 HB2 CYS 27 2HB CYS 27 -2.641 -0.263 4.349 167 HB3 CYS 27 1HB CYS 27 -1.305 -0.264 5.504 168 H GLY 28 H GLY 28 -4.785 2.104 5.799 169 HA2 GLY 28 1HA GLY 28 -7.262 0.631 5.884 170 HA3 GLY 28 2HA GLY 28 -7.076 2.284 5.310 171 H GLU 29 H GLU 29 -5.233 1.910 3.261 172 HA GLU 29 HA GLU 29 -6.342 -0.173 1.479 173 HB2 GLU 29 2HB GLU 29 -7.703 2.004 1.286 174 HB3 GLU 29 1HB GLU 29 -6.258 2.700 0.554 175 HG2 GLU 29 2HG GLU 29 -7.813 1.810 -1.161 176 HG3 GLU 29 1HG GLU 29 -6.272 0.951 -1.173 177 H GLY 30 H GLY 30 -5.004 -0.364 -0.529 178 HA2 GLY 30 2HA GLY 30 -2.743 0.980 -1.279 179 HA3 GLY 30 1HA GLY 30 -2.175 0.065 0.118 180 H LEU 31 H LEU 31 -0.778 -0.917 -1.679 181 HA LEU 31 HA LEU 31 -2.233 -2.869 -3.370 182 HB2 LEU 31 2HB LEU 31 0.454 -1.624 -3.372 183 HB3 LEU 31 1HB LEU 31 0.405 -3.311 -3.885 184 HG LEU 31 HG LEU 31 -1.339 -1.101 -5.011 185 HD11 LEU 31 1HD1 LEU 31 0.310 -2.207 -6.999 186 HD12 LEU 31 2HD1 LEU 31 1.368 -1.959 -5.610 187 HD13 LEU 31 3HD1 LEU 31 0.459 -0.605 -6.278 188 HD21 LEU 31 3HD2 LEU 31 -1.028 -3.567 -6.545 189 HD22 LEU 31 1HD2 LEU 31 -2.504 -2.722 -6.077 190 HD23 LEU 31 2HD2 LEU 31 -1.748 -3.861 -4.962 191 H CYS 32 H CYS 32 0.259 -2.814 -0.816 192 HA CYS 32 HA CYS 32 -0.046 -5.766 -0.556 193 HB2 CYS 32 2HB CYS 32 1.983 -3.981 0.806 194 HB3 CYS 32 1HB CYS 32 2.025 -5.738 0.669 195 H CYS 33 H CYS 33 -2.237 -4.303 0.383 196 HA CYS 33 HA CYS 33 -1.856 -4.531 3.341 197 HB2 CYS 33 2HB CYS 33 -2.322 -2.200 2.643 198 HB3 CYS 33 1HB CYS 33 -3.812 -2.734 1.872 199 H GLU 34 H GLU 34 -2.533 -6.661 3.544 200 HA GLU 34 HA GLU 34 -5.194 -7.381 2.424 201 HB2 GLU 34 2HB GLU 34 -3.076 -9.142 3.704 202 HB3 GLU 34 1HB GLU 34 -4.552 -9.701 2.916 203 HG2 GLU 34 2HG GLU 34 -2.673 -7.933 1.388 204 HG3 GLU 34 1HG GLU 34 -2.277 -9.643 1.575 205 H GLN 35 H GLN 35 -6.905 -7.727 3.808 206 HA GLN 35 HA GLN 35 -8.096 -7.722 5.825 207 HB2 GLN 35 2HB GLN 35 -6.253 -9.617 6.170 208 HB3 GLN 35 1HB GLN 35 -5.634 -8.465 7.352 209 HG2 GLN 35 2HG GLN 35 -7.529 -8.608 8.691 210 HG3 GLN 35 1HG GLN 35 -8.564 -9.099 7.349 211 HE21 GLN 35 1HE2 GLN 35 -5.433 -10.477 8.487 212 HE22 GLN 35 2HE2 GLN 35 -6.041 -12.043 8.730 213 H CYS 36 H CYS 36 -6.501 -5.399 4.873 214 HA CYS 36 HA CYS 36 -6.042 -3.228 5.612 215 HB2 CYS 36 2HB CYS 36 -7.628 -4.340 7.908 216 HB3 CYS 36 1HB CYS 36 -6.814 -2.792 8.074 217 H LYS 37 H LYS 37 -4.260 -5.671 6.208 218 HA LYS 37 HA LYS 37 -2.620 -4.354 8.336 219 HB2 LYS 37 2HB LYS 37 -2.326 -7.253 7.587 220 HB3 LYS 37 1HB LYS 37 -1.917 -6.453 9.104 221 HG2 LYS 37 2HG LYS 37 -4.720 -6.935 8.052 222 HG3 LYS 37 1HG LYS 37 -3.949 -7.806 9.378 223 HD2 LYS 37 2HD LYS 37 -3.785 -4.933 9.781 224 HD3 LYS 37 1HD LYS 37 -5.459 -5.454 9.587 225 HE2 LYS 37 2HE LYS 37 -5.001 -5.677 11.915 226 HE3 LYS 37 1HE LYS 37 -4.918 -7.315 11.264 227 HZ1 LYS 37 3HZ LYS 37 -3.016 -7.066 12.582 228 HZ2 LYS 37 1HZ LYS 37 -2.681 -5.515 11.983 229 HZ3 LYS 37 2HZ LYS 37 -2.460 -6.876 10.988 230 H PHE 38 H PHE 38 -0.234 -4.693 8.037 231 HA PHE 38 HA PHE 38 0.513 -4.075 5.282 232 HB2 PHE 38 2HB PHE 38 1.940 -4.285 7.911 233 HB3 PHE 38 1HB PHE 38 2.890 -4.339 6.430 234 HD1 PHE 38 2HD PHE 38 1.691 -2.513 4.606 235 HD2 PHE 38 1HD PHE 38 2.024 -2.178 8.875 236 HE1 PHE 38 2HE PHE 38 1.549 -0.045 4.426 237 HE2 PHE 38 1HE PHE 38 1.882 0.291 8.692 238 HZ PHE 38 HZ PHE 38 1.644 1.358 6.467 239 H SER 39 H SER 39 1.041 -5.594 3.766 240 HA SER 39 HA SER 39 1.075 -8.398 4.354 241 HB2 SER 39 2HB SER 39 2.376 -7.079 1.954 242 HB3 SER 39 1HB SER 39 1.729 -8.713 2.063 243 HG SER 39 HG SER 39 -0.017 -7.793 1.325 244 H ARG 40 H ARG 40 3.768 -8.385 2.544 245 HA ARG 40 HA ARG 40 5.622 -7.951 4.826 246 HB2 ARG 40 2HB ARG 40 4.832 -10.520 3.770 247 HB3 ARG 40 1HB ARG 40 6.551 -10.257 3.479 248 HG2 ARG 40 2HG ARG 40 6.941 -10.772 5.633 249 HG3 ARG 40 1HG ARG 40 6.060 -9.315 6.093 250 HD2 ARG 40 2HD ARG 40 4.825 -12.042 5.605 251 HD3 ARG 40 1HD ARG 40 5.093 -11.303 7.185 252 HE ARG 40 HE ARG 40 3.551 -9.413 6.145 253 HH11 ARG 40 1HH2 ARG 40 3.139 -11.710 3.990 254 HH12 ARG 40 2HH2 ARG 40 1.548 -12.221 4.446 255 HH21 ARG 40 1HH1 ARG 40 1.591 -10.542 7.480 256 HH22 ARG 40 2HH1 ARG 40 0.672 -11.560 6.423 257 H ALA 41 H ALA 41 7.894 -7.827 4.091 258 HA ALA 41 HA ALA 41 8.136 -6.262 1.684 259 HB1 ALA 41 1HB ALA 41 9.619 -6.427 3.929 260 HB2 ALA 41 2HB ALA 41 10.274 -5.819 2.408 261 HB3 ALA 41 3HB ALA 41 10.567 -7.489 2.888 262 H GLY 42 H GLY 42 9.753 -6.893 -0.079 263 HA2 GLY 42 2HA GLY 42 10.469 -8.433 -1.718 264 HA3 GLY 42 1HA GLY 42 10.305 -9.704 -0.503 265 H LYS 43 H LYS 43 7.636 -7.583 -1.046 266 HA LYS 43 HA LYS 43 6.113 -9.864 -2.209 267 HB2 LYS 43 2HB LYS 43 4.898 -9.205 -0.369 268 HB3 LYS 43 1HB LYS 43 5.465 -7.542 -0.455 269 HG2 LYS 43 2HG LYS 43 3.720 -6.894 -1.760 270 HG3 LYS 43 1HG LYS 43 3.766 -8.365 -2.721 271 HD2 LYS 43 2HD LYS 43 2.947 -9.307 -0.267 272 HD3 LYS 43 1HD LYS 43 2.147 -7.737 -0.357 273 HE2 LYS 43 2HE LYS 43 0.940 -8.313 -2.274 274 HE3 LYS 43 1HE LYS 43 2.079 -9.579 -2.730 275 HZ1 LYS 43 3HZ LYS 43 -0.236 -9.754 -1.095 276 HZ2 LYS 43 1HZ LYS 43 1.131 -10.296 -0.251 277 HZ3 LYS 43 2HZ LYS 43 0.720 -11.001 -1.741 278 H ILE 44 H ILE 44 5.836 -9.814 -4.369 279 HA ILE 44 HA ILE 44 6.461 -7.617 -6.051 280 HB ILE 44 HB ILE 44 5.747 -10.287 -6.398 281 HG12 ILE 44 2HG1 ILE 44 7.407 -9.050 -7.690 282 HG13 ILE 44 1HG1 ILE 44 6.257 -9.821 -8.783 283 HG21 ILE 44 1HG2 ILE 44 3.358 -9.713 -6.533 284 HG22 ILE 44 2HG2 ILE 44 3.957 -10.248 -8.103 285 HG23 ILE 44 3HG2 ILE 44 3.705 -8.530 -7.795 286 HD11 ILE 44 3HD1 ILE 44 4.976 -7.658 -8.851 287 HD12 ILE 44 1HD1 ILE 44 6.594 -7.546 -9.541 288 HD13 ILE 44 2HD1 ILE 44 6.279 -6.916 -7.924 289 H CYS 45 H CYS 45 5.458 -5.691 -6.030 290 HA CYS 45 HA CYS 45 2.525 -5.617 -5.487 291 HB2 CYS 45 2HB CYS 45 2.971 -3.135 -5.147 292 HB3 CYS 45 1HB CYS 45 3.724 -4.200 -3.961 293 H ARG 46 H ARG 46 4.923 -5.152 -7.924 294 HA ARG 46 HA ARG 46 2.838 -4.604 -9.888 295 HB2 ARG 46 2HB ARG 46 3.849 -2.375 -8.687 296 HB3 ARG 46 1HB ARG 46 4.966 -2.557 -10.039 297 HG2 ARG 46 2HG ARG 46 3.265 -2.346 -11.641 298 HG3 ARG 46 1HG ARG 46 1.998 -2.774 -10.490 299 HD2 ARG 46 2HD ARG 46 2.036 -0.659 -9.467 300 HD3 ARG 46 1HD ARG 46 3.646 -0.288 -10.083 301 HE ARG 46 HE ARG 46 2.584 0.617 -11.970 302 HH11 ARG 46 1HH2 ARG 46 -0.019 0.145 -10.239 303 HH12 ARG 46 2HH2 ARG 46 -1.039 -0.541 -11.459 304 HH21 ARG 46 1HH1 ARG 46 1.559 -1.123 -13.680 305 HH22 ARG 46 2HH1 ARG 46 -0.147 -1.258 -13.408 306 H ILE 47 H ILE 47 3.530 -5.056 -12.006 307 HA ILE 47 HA ILE 47 6.096 -6.516 -12.176 308 HB ILE 47 HB ILE 47 4.080 -7.566 -13.123 309 HG12 ILE 47 2HG1 ILE 47 4.943 -8.024 -15.390 310 HG13 ILE 47 1HG1 ILE 47 6.007 -6.625 -15.273 311 HG21 ILE 47 1HG2 ILE 47 3.899 -4.915 -14.490 312 HG22 ILE 47 2HG2 ILE 47 2.616 -5.921 -13.816 313 HG23 ILE 47 3HG2 ILE 47 3.337 -6.337 -15.371 314 HD11 ILE 47 3HD1 ILE 47 7.280 -8.626 -14.731 315 HD12 ILE 47 1HD1 ILE 47 6.083 -9.101 -13.527 316 HD13 ILE 47 2HD1 ILE 47 7.078 -7.668 -13.265 317 H ALA 48 H ALA 48 7.472 -6.070 -14.197 318 HA ALA 48 HA ALA 48 7.508 -3.126 -14.682 319 HB1 ALA 48 1HB ALA 48 9.716 -3.147 -14.255 320 HB2 ALA 48 2HB ALA 48 9.970 -4.455 -15.411 321 HB3 ALA 48 3HB ALA 48 9.537 -4.824 -13.741 322 H ARG 49 H ARG 49 8.872 -2.721 -16.821 323 HA ARG 49 HA ARG 49 8.083 -4.623 -18.954 324 HB2 ARG 49 2HB ARG 49 7.559 -2.373 -20.278 325 HB3 ARG 49 1HB ARG 49 6.311 -3.167 -19.321 326 HG2 ARG 49 2HG ARG 49 7.972 -1.360 -17.724 327 HG3 ARG 49 1HG ARG 49 7.132 -0.531 -19.035 328 HD2 ARG 49 2HD ARG 49 5.681 -2.475 -17.244 329 HD3 ARG 49 1HD ARG 49 5.881 -0.785 -16.783 330 HE ARG 49 HE ARG 49 3.985 -1.748 -18.692 331 HH11 ARG 49 1HH2 ARG 49 4.424 1.021 -17.253 332 HH12 ARG 49 2HH2 ARG 49 4.448 2.058 -18.640 333 HH21 ARG 49 1HH1 ARG 49 4.826 -0.542 -20.906 334 HH22 ARG 49 2HH1 ARG 49 4.676 1.173 -20.709 335 H GLY 50 H GLY 50 9.872 -4.944 -20.232 336 HA2 GLY 50 2HA GLY 50 11.869 -4.352 -21.409 337 HA3 GLY 50 1HA GLY 50 11.754 -2.738 -20.699 338 H ASP 51 H ASP 51 13.223 -2.319 -19.089 339 HA ASP 51 HA ASP 51 14.977 -4.326 -18.031 340 HB2 ASP 51 2HB ASP 51 14.112 -1.611 -17.035 341 HB3 ASP 51 1HB ASP 51 15.230 -2.612 -16.115 342 H TRP 52 H TRP 52 14.474 -5.854 -16.424 343 HA TRP 52 HA TRP 52 11.814 -5.409 -15.175 344 HB2 TRP 52 2HB TRP 52 13.120 -7.816 -16.312 345 HB3 TRP 52 1HB TRP 52 12.010 -8.035 -14.953 346 HD1 TRP 52 HD TRP 52 9.681 -6.392 -15.284 347 HE1 TRP 52 1HE TRP 52 8.165 -6.340 -17.356 348 HE3 TRP 52 3HE TRP 52 12.945 -8.102 -18.799 349 HZ2 TRP 52 2HZ TRP 52 8.313 -6.873 -20.111 350 HZ3 TRP 52 3HZ TRP 52 12.229 -8.311 -21.169 351 HH2 TRP 52 HH TRP 52 9.915 -7.697 -21.834 352 H ASN 53 H ASN 53 11.871 -4.881 -13.190 353 HA ASN 53 HA ASN 53 13.516 -6.389 -11.247 354 HB2 ASN 53 2HB ASN 53 13.636 -3.432 -11.770 355 HB3 ASN 53 1HB ASN 53 13.753 -3.994 -10.102 356 HD21 ASN 53 1HD2 ASN 53 15.592 -3.402 -12.895 357 HD22 ASN 53 2HD2 ASN 53 16.970 -4.300 -12.476 358 H ASP 54 H ASP 54 11.206 -7.221 -11.243 359 HA ASP 54 HA ASP 54 8.871 -5.958 -10.681 360 HB2 ASP 54 2HB ASP 54 8.532 -7.907 -8.906 361 HB3 ASP 54 1HB ASP 54 8.637 -8.263 -10.630 362 H ASP 55 H ASP 55 8.221 -4.468 -9.266 363 HA ASP 55 HA ASP 55 9.866 -3.584 -7.070 364 HB2 ASP 55 2HB ASP 55 8.223 -2.166 -8.381 365 HB3 ASP 55 1HB ASP 55 6.929 -2.998 -7.518 366 H ARG 56 H ARG 56 10.088 -4.785 -5.235 367 HA ARG 56 HA ARG 56 7.797 -6.474 -4.360 368 HB2 ARG 56 2HB ARG 56 10.632 -6.423 -3.291 369 HB3 ARG 56 1HB ARG 56 9.393 -7.634 -2.962 370 HG2 ARG 56 2HG ARG 56 9.583 -7.449 -5.778 371 HG3 ARG 56 1HG ARG 56 11.238 -7.508 -5.171 372 HD2 ARG 56 2HD ARG 56 10.754 -9.530 -3.905 373 HD3 ARG 56 1HD ARG 56 9.052 -9.444 -4.357 374 HE ARG 56 HE ARG 56 10.355 -9.526 -6.791 375 HH11 ARG 56 1HH2 ARG 56 9.981 -11.473 -3.984 376 HH12 ARG 56 2HH2 ARG 56 10.562 -12.917 -4.740 377 HH21 ARG 56 1HH1 ARG 56 11.301 -11.363 -7.750 378 HH22 ARG 56 2HH1 ARG 56 11.311 -12.855 -6.872 379 H CYS 57 H CYS 57 6.573 -5.841 -2.660 380 HA CYS 57 HA CYS 57 6.770 -3.323 -1.438 381 HB2 CYS 57 2HB CYS 57 5.247 -5.774 -0.993 382 HB3 CYS 57 1HB CYS 57 5.602 -4.935 0.512 383 H THR 58 H THR 58 7.342 -2.826 0.841 384 HA THR 58 HA THR 58 9.863 -4.206 1.572 385 HB THR 58 HB THR 58 10.557 -2.229 2.515 386 HG1 THR 58 1HG THR 58 7.828 -1.733 3.104 387 HG21 THR 58 3HG2 THR 58 10.115 -0.546 1.013 388 HG22 THR 58 1HG2 THR 58 8.371 -0.798 1.085 389 HG23 THR 58 2HG2 THR 58 9.379 -1.881 0.126 390 H GLY 59 H GLY 59 6.687 -4.568 2.297 391 HA2 GLY 59 2HA GLY 59 5.812 -5.994 4.000 392 HA3 GLY 59 1HA GLY 59 7.335 -5.840 4.877 393 H GLN 60 H GLN 60 7.673 -3.231 5.323 394 HA GLN 60 HA GLN 60 5.426 -2.576 7.110 395 HB2 GLN 60 2HB GLN 60 7.928 -0.937 6.652 396 HB3 GLN 60 1HB GLN 60 6.884 -0.950 8.074 397 HG2 GLN 60 2HG GLN 60 7.507 -3.356 8.433 398 HG3 GLN 60 1HG GLN 60 8.668 -3.204 7.115 399 HE21 GLN 60 1HE2 GLN 60 8.317 -2.853 10.477 400 HE22 GLN 60 2HE2 GLN 60 9.704 -1.920 10.771 401 H SER 61 H SER 61 5.889 -2.132 3.910 402 HA SER 61 HA SER 61 4.635 0.588 3.949 403 HB2 SER 61 2HB SER 61 6.249 -0.743 1.755 404 HB3 SER 61 1HB SER 61 5.506 0.851 1.648 405 HG SER 61 HG SER 61 7.698 0.973 2.279 406 H ALA 62 H ALA 62 2.768 0.902 2.683 407 HA ALA 62 HA ALA 62 1.493 -1.616 1.694 408 HB1 ALA 62 1HB ALA 62 -0.619 -0.044 1.844 409 HB2 ALA 62 2HB ALA 62 0.399 0.895 2.936 410 HB3 ALA 62 3HB ALA 62 0.021 -0.787 3.310 411 H ASP 63 H ASP 63 2.315 1.718 0.910 412 HA ASP 63 HA ASP 63 1.021 1.562 -1.725 413 HB2 ASP 63 2HB ASP 63 2.966 3.668 -0.753 414 HB3 ASP 63 1HB ASP 63 1.758 3.821 -2.029 415 H CYS 64 H CYS 64 2.034 0.869 -3.556 416 HA CYS 64 HA CYS 64 4.904 0.131 -3.337 417 HB2 CYS 64 2HB CYS 64 3.448 -1.649 -4.112 418 HB3 CYS 64 1HB CYS 64 2.766 -0.602 -5.357 419 HA PRO 65 HA PRO 65 5.993 3.583 -5.795 420 HB2 PRO 65 2HB PRO 65 8.601 2.817 -6.135 421 HB3 PRO 65 1HB PRO 65 7.999 3.573 -4.662 422 HG2 PRO 65 2HG PRO 65 8.766 0.746 -5.166 423 HG3 PRO 65 1HG PRO 65 8.712 1.637 -3.637 424 HD2 PRO 65 2HD PRO 65 6.781 -0.220 -4.554 425 HD3 PRO 65 1HD PRO 65 6.603 0.894 -3.183 426 H ARG 66 H ARG 66 7.796 3.533 -7.894 427 HA ARG 66 HA ARG 66 6.896 1.333 -9.689 428 HB2 ARG 66 2HB ARG 66 6.549 3.071 -11.497 429 HB3 ARG 66 1HB ARG 66 5.362 3.121 -10.192 430 HG2 ARG 66 2HG ARG 66 7.762 4.760 -9.703 431 HG3 ARG 66 1HG ARG 66 6.789 5.294 -11.073 432 HD2 ARG 66 2HD ARG 66 4.831 4.794 -9.255 433 HD3 ARG 66 1HD ARG 66 6.139 5.291 -8.182 434 HE ARG 66 HE ARG 66 5.406 7.017 -10.501 435 HH11 ARG 66 1HH1 ARG 66 3.667 7.105 -7.960 436 HH12 ARG 66 2HH1 ARG 66 4.378 8.454 -7.136 437 HH21 ARG 66 1HH2 ARG 66 7.248 8.471 -9.083 438 HH22 ARG 66 2HH2 ARG 66 6.405 9.228 -7.773 439 H TYR 67 H TYR 67 8.212 1.357 -11.768 440 HA TYR 67 HA TYR 67 10.785 2.754 -11.684 441 HB2 TYR 67 2HB TYR 67 10.689 -0.267 -11.419 442 HB3 TYR 67 1HB TYR 67 12.146 0.704 -11.625 443 HD1 TYR 67 2HD TYR 67 12.712 2.451 -9.854 444 HD2 TYR 67 1HD TYR 67 9.727 -0.584 -9.278 445 HE1 TYR 67 2HE TYR 67 12.825 2.806 -7.403 446 HE2 TYR 67 1HE TYR 67 9.841 -0.229 -6.826 447 HH TYR 67 HH TYR 67 10.936 2.323 -5.388 448 H HIS 68 H HIS 68 8.778 0.216 -13.145 449 HA HIS 68 HA HIS 68 9.764 1.133 -15.812 450 HB2 HIS 68 2HB HIS 68 9.061 -1.752 -15.292 451 HB3 HIS 68 1HB HIS 68 10.039 -1.069 -16.591 452 HD1 HIS 68 1HD HIS 68 10.176 -1.720 -12.855 453 HD2 HIS 68 2HD HIS 68 12.761 -0.844 -16.005 454 HE1 HIS 68 1HE HIS 68 12.525 -1.943 -11.936 Start of MODEL 11 1 H GLY 1 1HT GLY 1 3.645 14.938 8.192 2 HA2 GLY 1 1HA GLY 1 4.181 15.817 5.537 3 HA3 GLY 1 2HA GLY 1 3.827 14.193 6.123 4 H LYS 2 H LYS 2 1.712 13.414 5.951 5 HA LYS 2 HA LYS 2 -0.278 15.293 4.743 6 HB2 LYS 2 2HB LYS 2 -1.130 13.370 3.423 7 HB3 LYS 2 1HB LYS 2 0.550 13.738 3.032 8 HG2 LYS 2 2HG LYS 2 0.880 11.975 5.086 9 HG3 LYS 2 1HG LYS 2 -0.598 11.355 4.349 10 HD2 LYS 2 2HD LYS 2 0.695 11.634 2.100 11 HD3 LYS 2 1HD LYS 2 2.132 11.668 3.122 12 HE2 LYS 2 2HE LYS 2 1.228 9.516 4.192 13 HE3 LYS 2 1HE LYS 2 0.108 9.445 2.830 14 HZ1 LYS 2 3HZ LYS 2 2.599 8.436 2.818 15 HZ2 LYS 2 1HZ LYS 2 2.850 9.948 2.092 16 HZ3 LYS 2 2HZ LYS 2 1.725 8.863 1.426 17 H GLU 3 H GLU 3 -2.574 14.484 5.076 18 HA GLU 3 HA GLU 3 -2.780 13.124 7.734 19 HB2 GLU 3 2HB GLU 3 -3.770 15.668 6.850 20 HB3 GLU 3 1HB GLU 3 -5.143 14.613 7.191 21 HG2 GLU 3 2HG GLU 3 -4.590 15.681 9.264 22 HG3 GLU 3 1HG GLU 3 -3.990 14.026 9.383 23 H CYS 4 H CYS 4 -2.920 12.101 4.841 24 HA CYS 4 HA CYS 4 -5.649 10.893 5.053 25 HB2 CYS 4 2HB CYS 4 -4.139 11.995 2.779 26 HB3 CYS 4 1HB CYS 4 -4.835 10.406 2.466 27 H ASP 5 H ASP 5 -5.610 8.764 5.575 28 HA ASP 5 HA ASP 5 -3.064 7.270 5.235 29 HB2 ASP 5 2HB ASP 5 -4.296 7.318 7.458 30 HB3 ASP 5 1HB ASP 5 -5.567 6.369 6.685 31 H CYS 6 H CYS 6 -5.819 7.806 3.483 32 HA CYS 6 HA CYS 6 -5.396 5.325 1.938 33 HB2 CYS 6 2HB CYS 6 -7.777 4.739 1.927 34 HB3 CYS 6 1HB CYS 6 -7.173 4.753 3.584 35 H SER 7 H SER 7 -6.800 5.453 -0.136 36 HA SER 7 HA SER 7 -6.877 8.313 -1.009 37 HB2 SER 7 2HB SER 7 -6.278 7.590 -3.203 38 HB3 SER 7 1HB SER 7 -5.208 6.719 -2.108 39 HG SER 7 HG SER 7 -6.520 4.920 -2.311 40 H SER 8 H SER 8 -8.910 5.918 -0.067 41 HA SER 8 HA SER 8 -11.036 6.876 -1.937 42 HB2 SER 8 2HB SER 8 -10.724 4.081 -0.804 43 HB3 SER 8 1HB SER 8 -12.068 4.633 -1.801 44 HG SER 8 HG SER 8 -9.832 3.626 -2.638 45 HA PRO 9 HA PRO 9 -12.973 7.943 1.902 46 HB2 PRO 9 2HB PRO 9 -15.372 8.734 0.821 47 HB3 PRO 9 1HB PRO 9 -13.904 9.726 0.781 48 HG2 PRO 9 2HG PRO 9 -15.193 8.194 -1.427 49 HG3 PRO 9 1HG PRO 9 -14.154 9.625 -1.513 50 HD2 PRO 9 2HD PRO 9 -13.356 6.956 -2.037 51 HD3 PRO 9 1HD PRO 9 -12.276 8.348 -1.816 52 H GLU 10 H GLU 10 -14.480 5.760 -0.443 53 HA GLU 10 HA GLU 10 -16.598 4.831 1.264 54 HB2 GLU 10 2HB GLU 10 -15.830 4.374 -1.359 55 HB3 GLU 10 1HB GLU 10 -15.519 2.823 -0.579 56 HG2 GLU 10 2HG GLU 10 -17.831 2.918 0.395 57 HG3 GLU 10 1HG GLU 10 -18.127 4.366 -0.568 58 H ASN 11 H ASN 11 -13.202 4.260 1.214 59 HA ASN 11 HA ASN 11 -13.211 1.671 2.494 60 HB2 ASN 11 2HB ASN 11 -11.218 2.391 1.343 61 HB3 ASN 11 1HB ASN 11 -11.124 3.857 2.318 62 HD21 ASN 11 1HD2 ASN 11 -8.992 3.239 3.158 63 HD22 ASN 11 2HD2 ASN 11 -8.831 1.999 4.304 64 HA PRO 12 HA PRO 12 -14.445 3.468 6.422 65 HB2 PRO 12 2HB PRO 12 -14.920 1.044 7.634 66 HB3 PRO 12 1HB PRO 12 -16.080 1.854 6.567 67 HG2 PRO 12 2HG PRO 12 -14.354 -0.515 6.010 68 HG3 PRO 12 1HG PRO 12 -15.910 -0.066 5.293 69 HD2 PRO 12 2HD PRO 12 -13.377 0.291 4.089 70 HD3 PRO 12 1HD PRO 12 -14.898 1.040 3.558 71 H CYS 13 H CYS 13 -11.972 1.039 5.826 72 HA CYS 13 HA CYS 13 -10.828 0.757 8.373 73 HB2 CYS 13 2HB CYS 13 -10.163 -0.176 5.954 74 HB3 CYS 13 1HB CYS 13 -8.985 1.135 6.052 75 H CYS 14 H CYS 14 -10.456 3.392 6.023 76 HA CYS 14 HA CYS 14 -8.787 4.856 8.012 77 HB2 CYS 14 2HB CYS 14 -8.143 6.311 6.174 78 HB3 CYS 14 1HB CYS 14 -7.935 4.638 5.660 79 H ASP 15 H ASP 15 -9.841 6.306 9.263 80 HA ASP 15 HA ASP 15 -12.562 6.940 9.134 81 HB2 ASP 15 2HB ASP 15 -10.705 7.517 10.922 82 HB3 ASP 15 1HB ASP 15 -10.626 9.043 10.041 83 H ALA 16 H ALA 16 -13.775 8.267 7.851 84 HA ALA 16 HA ALA 16 -12.503 9.603 5.590 85 HB1 ALA 16 1HB ALA 16 -14.780 10.203 4.939 86 HB2 ALA 16 2HB ALA 16 -15.386 9.735 6.528 87 HB3 ALA 16 3HB ALA 16 -14.745 8.510 5.434 88 H ALA 17 H ALA 17 -13.850 10.550 8.703 89 HA ALA 17 HA ALA 17 -14.097 13.338 8.309 90 HB1 ALA 17 1HB ALA 17 -14.612 13.257 10.502 91 HB2 ALA 17 2HB ALA 17 -12.962 12.786 10.907 92 HB3 ALA 17 3HB ALA 17 -14.157 11.553 10.504 93 H THR 18 H THR 18 -11.260 11.538 9.553 94 HA THR 18 HA THR 18 -9.589 13.917 8.908 95 HB THR 18 HB THR 18 -9.074 13.303 11.101 96 HG1 THR 18 1HG THR 18 -7.039 12.829 10.864 97 HG21 THR 18 3HG2 THR 18 -10.452 11.313 11.240 98 HG22 THR 18 1HG2 THR 18 -8.831 10.911 11.804 99 HG23 THR 18 2HG2 THR 18 -9.348 10.428 10.188 100 H CYS 19 H CYS 19 -10.550 11.050 7.513 101 HA CYS 19 HA CYS 19 -9.746 9.867 5.651 102 HB2 CYS 19 2HB CYS 19 -9.375 12.145 4.748 103 HB3 CYS 19 1HB CYS 19 -7.789 12.183 5.514 104 H LYS 20 H LYS 20 -8.581 9.484 8.412 105 HA LYS 20 HA LYS 20 -6.045 8.193 7.497 106 HB2 LYS 20 2HB LYS 20 -6.550 9.896 9.918 107 HB3 LYS 20 1HB LYS 20 -5.301 8.650 9.960 108 HG2 LYS 20 2HG LYS 20 -5.236 10.287 7.523 109 HG3 LYS 20 1HG LYS 20 -4.949 11.212 8.998 110 HD2 LYS 20 2HD LYS 20 -3.415 9.019 9.485 111 HD3 LYS 20 1HD LYS 20 -3.284 9.119 7.729 112 HE2 LYS 20 2HE LYS 20 -2.104 11.071 7.795 113 HE3 LYS 20 1HE LYS 20 -3.021 11.694 9.167 114 HZ1 LYS 20 3HZ LYS 20 -0.681 11.176 9.694 115 HZ2 LYS 20 1HZ LYS 20 -0.990 9.541 9.358 116 HZ3 LYS 20 2HZ LYS 20 -1.789 10.307 10.647 117 H LEU 21 H LEU 21 -5.402 6.332 8.864 118 HA LEU 21 HA LEU 21 -7.352 4.377 9.146 119 HB2 LEU 21 2HB LEU 21 -4.635 4.789 10.231 120 HB3 LEU 21 1HB LEU 21 -5.633 3.655 11.141 121 HG LEU 21 HG LEU 21 -5.624 3.415 8.165 122 HD11 LEU 21 1HD1 LEU 21 -3.276 3.581 8.459 123 HD12 LEU 21 2HD1 LEU 21 -3.604 1.849 8.475 124 HD13 LEU 21 3HD1 LEU 21 -3.326 2.707 9.990 125 HD21 LEU 21 3HD2 LEU 21 -7.012 1.832 9.169 126 HD22 LEU 21 1HD2 LEU 21 -5.970 1.667 10.582 127 HD23 LEU 21 2HD2 LEU 21 -5.501 0.930 9.049 128 H ARG 22 H ARG 22 -9.141 4.318 10.400 129 HA ARG 22 HA ARG 22 -9.341 6.021 12.779 130 HB2 ARG 22 2HB ARG 22 -11.178 5.084 10.948 131 HB3 ARG 22 1HB ARG 22 -11.483 4.057 12.349 132 HG2 ARG 22 2HG ARG 22 -11.187 7.039 12.661 133 HG3 ARG 22 1HG ARG 22 -12.736 6.326 12.212 134 HD2 ARG 22 2HD ARG 22 -12.226 4.721 14.254 135 HD3 ARG 22 1HD ARG 22 -11.196 6.056 14.768 136 HE ARG 22 HE ARG 22 -13.364 7.469 14.452 137 HH11 ARG 22 1HH1 ARG 22 -12.859 5.292 16.770 138 HH12 ARG 22 2HH1 ARG 22 -14.504 4.808 17.013 139 HH21 ARG 22 1HH2 ARG 22 -15.661 6.357 14.135 140 HH22 ARG 22 2HH2 ARG 22 -16.090 5.410 15.520 141 HA PRO 23 HA PRO 23 -9.569 1.744 14.888 142 HB2 PRO 23 2HB PRO 23 -9.103 -0.474 13.334 143 HB3 PRO 23 1HB PRO 23 -10.711 0.229 13.579 144 HG2 PRO 23 2HG PRO 23 -8.964 0.341 11.173 145 HG3 PRO 23 1HG PRO 23 -10.724 0.496 11.288 146 HD2 PRO 23 2HD PRO 23 -8.859 2.617 10.979 147 HD3 PRO 23 1HD PRO 23 -10.591 2.781 11.341 148 H GLY 24 H GLY 24 -7.861 -0.446 14.860 149 HA2 GLY 24 2HA GLY 24 -5.221 0.887 14.987 150 HA3 GLY 24 1HA GLY 24 -5.623 -0.673 15.704 151 H ALA 25 H ALA 25 -6.548 0.042 12.413 152 HA ALA 25 HA ALA 25 -5.068 -2.255 11.430 153 HB1 ALA 25 1HB ALA 25 -6.931 -0.227 10.302 154 HB2 ALA 25 2HB ALA 25 -6.913 -1.978 10.092 155 HB3 ALA 25 3HB ALA 25 -5.806 -0.967 9.162 156 H GLN 26 H GLN 26 -3.103 -2.260 10.285 157 HA GLN 26 HA GLN 26 -1.347 -0.005 10.693 158 HB2 GLN 26 2HB GLN 26 -1.147 -2.736 9.729 159 HB3 GLN 26 1HB GLN 26 -0.211 -1.641 8.712 160 HG2 GLN 26 2HG GLN 26 1.394 -1.679 10.292 161 HG3 GLN 26 1HG GLN 26 0.286 -0.794 11.342 162 HE21 GLN 26 1HE2 GLN 26 -1.473 -2.401 12.384 163 HE22 GLN 26 2HE2 GLN 26 -0.828 -3.840 13.015 164 H CYS 27 H CYS 27 -3.498 -0.958 8.137 165 HA CYS 27 HA CYS 27 -2.931 1.560 6.735 166 HB2 CYS 27 2HB CYS 27 -2.603 0.351 4.539 167 HB3 CYS 27 1HB CYS 27 -1.266 0.168 5.674 168 H GLY 28 H GLY 28 -4.756 2.258 5.619 169 HA2 GLY 28 2HA GLY 28 -7.190 0.651 6.023 170 HA3 GLY 28 1HA GLY 28 -7.134 2.311 5.430 171 H GLU 29 H GLU 29 -5.295 1.967 3.315 172 HA GLU 29 HA GLU 29 -6.433 -0.156 1.592 173 HB2 GLU 29 2HB GLU 29 -7.897 1.837 1.292 174 HB3 GLU 29 1HB GLU 29 -6.483 2.777 0.816 175 HG2 GLU 29 2HG GLU 29 -6.963 0.200 -0.611 176 HG3 GLU 29 1HG GLU 29 -8.031 1.552 -0.992 177 H GLY 30 H GLY 30 -5.125 -0.447 -0.389 178 HA2 GLY 30 2HA GLY 30 -2.893 0.925 -1.235 179 HA3 GLY 30 1HA GLY 30 -2.293 0.021 0.154 180 H LEU 31 H LEU 31 -1.064 -0.711 -2.050 181 HA LEU 31 HA LEU 31 -2.535 -2.851 -3.445 182 HB2 LEU 31 2HB LEU 31 -0.026 -1.357 -3.842 183 HB3 LEU 31 1HB LEU 31 0.085 -3.069 -4.253 184 HG LEU 31 HG LEU 31 -1.949 -1.090 -5.314 185 HD11 LEU 31 1HD1 LEU 31 -0.615 -2.388 -7.399 186 HD12 LEU 31 2HD1 LEU 31 0.650 -2.043 -6.220 187 HD13 LEU 31 3HD1 LEU 31 -0.343 -0.732 -6.857 188 HD21 LEU 31 3HD2 LEU 31 -2.313 -3.293 -6.813 189 HD22 LEU 31 1HD2 LEU 31 -3.218 -3.016 -5.325 190 HD23 LEU 31 2HD2 LEU 31 -1.805 -4.071 -5.315 191 H CYS 32 H CYS 32 0.228 -2.549 -1.215 192 HA CYS 32 HA CYS 32 0.229 -5.514 -0.922 193 HB2 CYS 32 2HB CYS 32 2.236 -3.682 0.365 194 HB3 CYS 32 1HB CYS 32 2.432 -5.352 -0.163 195 H CYS 33 H CYS 33 -1.956 -4.819 0.269 196 HA CYS 33 HA CYS 33 -1.301 -4.938 3.149 197 HB2 CYS 33 2HB CYS 33 -2.440 -2.595 1.815 198 HB3 CYS 33 1HB CYS 33 -3.457 -3.189 3.128 199 H GLU 34 H GLU 34 -2.418 -6.665 3.866 200 HA GLU 34 HA GLU 34 -5.085 -7.220 2.629 201 HB2 GLU 34 2HB GLU 34 -3.297 -9.263 3.965 202 HB3 GLU 34 1HB GLU 34 -4.693 -9.559 2.927 203 HG2 GLU 34 2HG GLU 34 -2.530 -7.927 1.724 204 HG3 GLU 34 1HG GLU 34 -2.131 -9.619 2.028 205 H GLN 35 H GLN 35 -6.807 -7.363 4.031 206 HA GLN 35 HA GLN 35 -7.988 -7.320 6.060 207 HB2 GLN 35 2HB GLN 35 -6.069 -9.217 6.438 208 HB3 GLN 35 1HB GLN 35 -5.637 -8.065 7.703 209 HG2 GLN 35 2HG GLN 35 -7.368 -8.750 8.965 210 HG3 GLN 35 1HG GLN 35 -8.496 -8.396 7.657 211 HE21 GLN 35 1HE2 GLN 35 -8.887 -10.160 6.051 212 HE22 GLN 35 2HE2 GLN 35 -8.617 -11.776 6.494 213 H CYS 36 H CYS 36 -6.500 -5.013 5.066 214 HA CYS 36 HA CYS 36 -5.965 -2.849 5.788 215 HB2 CYS 36 2HB CYS 36 -7.416 -3.983 8.163 216 HB3 CYS 36 1HB CYS 36 -6.593 -2.435 8.301 217 H LYS 37 H LYS 37 -4.285 -5.456 6.489 218 HA LYS 37 HA LYS 37 -2.474 -4.110 8.444 219 HB2 LYS 37 2HB LYS 37 -2.876 -7.014 7.704 220 HB3 LYS 37 1HB LYS 37 -1.465 -6.463 8.609 221 HG2 LYS 37 2HG LYS 37 -3.276 -5.278 10.121 222 HG3 LYS 37 1HG LYS 37 -4.347 -6.501 9.437 223 HD2 LYS 37 2HD LYS 37 -3.149 -8.272 10.383 224 HD3 LYS 37 1HD LYS 37 -1.678 -7.315 10.552 225 HE2 LYS 37 2HE LYS 37 -2.279 -6.599 12.606 226 HE3 LYS 37 1HE LYS 37 -3.890 -6.150 12.047 227 HZ1 LYS 37 3HZ LYS 37 -4.035 -8.822 12.023 228 HZ2 LYS 37 1HZ LYS 37 -4.530 -7.856 13.325 229 HZ3 LYS 37 2HZ LYS 37 -2.991 -8.575 13.342 230 H PHE 38 H PHE 38 -0.103 -4.512 8.011 231 HA PHE 38 HA PHE 38 0.487 -3.786 5.251 232 HB2 PHE 38 2HB PHE 38 2.101 -4.181 7.755 233 HB3 PHE 38 1HB PHE 38 2.918 -4.058 6.197 234 HD1 PHE 38 2HD PHE 38 1.209 -2.136 4.751 235 HD2 PHE 38 1HD PHE 38 2.524 -2.139 8.839 236 HE1 PHE 38 2HE PHE 38 0.980 0.332 4.827 237 HE2 PHE 38 1HE PHE 38 2.297 0.328 8.916 238 HZ PHE 38 HZ PHE 38 1.523 1.564 6.911 239 H SER 39 H SER 39 1.014 -5.180 3.644 240 HA SER 39 HA SER 39 0.900 -8.012 3.942 241 HB2 SER 39 2HB SER 39 1.901 -8.067 1.660 242 HB3 SER 39 1HB SER 39 0.607 -6.875 1.766 243 HG SER 39 HG SER 39 2.142 -5.270 1.969 244 H ARG 40 H ARG 40 3.249 -8.935 2.643 245 HA ARG 40 HA ARG 40 5.278 -8.398 4.774 246 HB2 ARG 40 2HB ARG 40 6.160 -10.719 3.908 247 HB3 ARG 40 1HB ARG 40 4.777 -10.676 5.001 248 HG2 ARG 40 2HG ARG 40 3.242 -10.797 3.077 249 HG3 ARG 40 1HG ARG 40 4.619 -10.826 1.976 250 HD2 ARG 40 2HD ARG 40 4.843 -12.843 4.078 251 HD3 ARG 40 1HD ARG 40 3.391 -13.056 3.099 252 HE ARG 40 HE ARG 40 5.163 -12.791 1.129 253 HH11 ARG 40 1HH2 ARG 40 4.516 -15.554 2.168 254 HH12 ARG 40 2HH2 ARG 40 6.097 -16.189 2.481 255 HH21 ARG 40 1HH1 ARG 40 7.648 -13.090 2.398 256 HH22 ARG 40 2HH1 ARG 40 7.871 -14.794 2.609 257 H ALA 41 H ALA 41 7.568 -8.534 3.991 258 HA ALA 41 HA ALA 41 7.899 -6.983 1.572 259 HB1 ALA 41 1HB ALA 41 9.435 -7.381 3.780 260 HB2 ALA 41 2HB ALA 41 10.069 -6.746 2.261 261 HB3 ALA 41 3HB ALA 41 10.241 -8.460 2.641 262 H GLY 42 H GLY 42 9.256 -7.742 -0.293 263 HA2 GLY 42 2HA GLY 42 9.828 -9.392 -1.909 264 HA3 GLY 42 1HA GLY 42 9.376 -10.637 -0.745 265 H LYS 43 H LYS 43 7.261 -7.945 -1.390 266 HA LYS 43 HA LYS 43 5.315 -9.855 -2.619 267 HB2 LYS 43 2HB LYS 43 4.439 -8.855 -0.622 268 HB3 LYS 43 1HB LYS 43 4.971 -7.254 -1.116 269 HG2 LYS 43 2HG LYS 43 2.769 -7.077 -1.743 270 HG3 LYS 43 1HG LYS 43 3.386 -7.817 -3.209 271 HD2 LYS 43 2HD LYS 43 2.429 -9.856 -2.761 272 HD3 LYS 43 1HD LYS 43 2.604 -9.666 -1.016 273 HE2 LYS 43 2HE LYS 43 0.217 -9.562 -1.841 274 HE3 LYS 43 1HE LYS 43 0.730 -8.151 -0.917 275 HZ1 LYS 43 3HZ LYS 43 -0.426 -7.473 -2.905 276 HZ2 LYS 43 1HZ LYS 43 0.637 -8.369 -3.877 277 HZ3 LYS 43 2HZ LYS 43 1.208 -7.022 -3.015 278 H ILE 44 H ILE 44 5.038 -9.675 -4.770 279 HA ILE 44 HA ILE 44 6.146 -7.456 -6.273 280 HB ILE 44 HB ILE 44 6.172 -9.580 -7.350 281 HG12 ILE 44 2HG1 ILE 44 4.649 -9.228 -9.336 282 HG13 ILE 44 1HG1 ILE 44 3.935 -7.865 -8.475 283 HG21 ILE 44 1HG2 ILE 44 3.527 -10.349 -7.755 284 HG22 ILE 44 2HG2 ILE 44 3.555 -9.795 -6.081 285 HG23 ILE 44 3HG2 ILE 44 4.652 -11.072 -6.607 286 HD11 ILE 44 3HD1 ILE 44 5.706 -6.524 -8.912 287 HD12 ILE 44 1HD1 ILE 44 6.153 -7.727 -10.122 288 HD13 ILE 44 2HD1 ILE 44 6.866 -7.789 -8.511 289 H CYS 45 H CYS 45 5.113 -5.505 -5.981 290 HA CYS 45 HA CYS 45 2.165 -5.398 -5.836 291 HB2 CYS 45 2HB CYS 45 2.583 -2.919 -5.625 292 HB3 CYS 45 1HB CYS 45 3.338 -3.896 -4.371 293 H ARG 46 H ARG 46 4.741 -4.791 -8.120 294 HA ARG 46 HA ARG 46 2.729 -4.490 -10.253 295 HB2 ARG 46 2HB ARG 46 4.874 -2.385 -9.850 296 HB3 ARG 46 1HB ARG 46 3.623 -2.395 -11.094 297 HG2 ARG 46 2HG ARG 46 1.881 -2.209 -9.371 298 HG3 ARG 46 1HG ARG 46 3.110 -2.250 -8.107 299 HD2 ARG 46 2HD ARG 46 3.698 -0.078 -8.438 300 HD3 ARG 46 1HD ARG 46 3.579 -0.216 -10.192 301 HE ARG 46 HE ARG 46 0.942 -0.297 -9.159 302 HH11 ARG 46 1HH2 ARG 46 1.700 1.627 -11.262 303 HH12 ARG 46 2HH2 ARG 46 1.608 3.152 -10.447 304 HH21 ARG 46 1HH1 ARG 46 1.664 1.761 -7.271 305 HH22 ARG 46 2HH1 ARG 46 1.587 3.228 -8.189 306 H ILE 47 H ILE 47 3.464 -5.341 -12.162 307 HA ILE 47 HA ILE 47 6.020 -6.748 -12.126 308 HB ILE 47 HB ILE 47 3.899 -7.615 -13.204 309 HG12 ILE 47 2HG1 ILE 47 5.706 -7.590 -15.494 310 HG13 ILE 47 1HG1 ILE 47 6.570 -7.877 -13.983 311 HG21 ILE 47 1HG2 ILE 47 3.556 -5.224 -14.259 312 HG22 ILE 47 2HG2 ILE 47 3.052 -6.657 -15.154 313 HG23 ILE 47 3HG2 ILE 47 4.577 -5.863 -15.548 314 HD11 ILE 47 3HD1 ILE 47 4.188 -9.423 -15.035 315 HD12 ILE 47 1HD1 ILE 47 4.867 -9.638 -13.421 316 HD13 ILE 47 2HD1 ILE 47 5.837 -10.019 -14.844 317 H ALA 48 H ALA 48 7.815 -6.303 -13.499 318 HA ALA 48 HA ALA 48 8.250 -3.498 -14.081 319 HB1 ALA 48 1HB ALA 48 10.108 -5.189 -15.487 320 HB2 ALA 48 2HB ALA 48 9.849 -5.835 -13.866 321 HB3 ALA 48 3HB ALA 48 10.399 -4.172 -14.075 322 H ARG 49 H ARG 49 7.750 -2.430 -15.938 323 HA ARG 49 HA ARG 49 6.606 -3.991 -18.175 324 HB2 ARG 49 2HB ARG 49 6.828 -0.982 -17.921 325 HB3 ARG 49 1HB ARG 49 5.746 -1.895 -18.975 326 HG2 ARG 49 2HG ARG 49 5.678 -2.086 -15.954 327 HG3 ARG 49 1HG ARG 49 4.653 -0.990 -16.882 328 HD2 ARG 49 2HD ARG 49 3.710 -2.899 -18.118 329 HD3 ARG 49 1HD ARG 49 4.751 -4.003 -17.219 330 HE ARG 49 HE ARG 49 3.494 -3.186 -15.148 331 HH11 ARG 49 1HH1 ARG 49 1.919 -4.951 -17.148 332 HH12 ARG 49 2HH1 ARG 49 0.396 -4.126 -17.152 333 HH21 ARG 49 1HH2 ARG 49 1.644 -1.255 -15.660 334 HH22 ARG 49 2HH2 ARG 49 0.241 -2.034 -16.311 335 H GLY 50 H GLY 50 8.590 -4.891 -19.020 336 HA2 GLY 50 2HA GLY 50 9.774 -3.949 -21.201 337 HA3 GLY 50 1HA GLY 50 10.598 -2.947 -20.015 338 H ASP 51 H ASP 51 11.147 -4.597 -17.985 339 HA ASP 51 HA ASP 51 11.903 -7.224 -18.304 340 HB2 ASP 51 2HB ASP 51 13.481 -5.489 -20.039 341 HB3 ASP 51 1HB ASP 51 14.487 -6.452 -18.956 342 H TRP 52 H TRP 52 13.371 -4.124 -17.415 343 HA TRP 52 HA TRP 52 15.196 -4.847 -15.489 344 HB2 TRP 52 2HB TRP 52 14.121 -2.800 -14.145 345 HB3 TRP 52 1HB TRP 52 15.059 -2.556 -15.616 346 HD1 TRP 52 HD TRP 52 11.462 -2.625 -14.327 347 HE1 TRP 52 1HE TRP 52 9.951 -1.445 -16.045 348 HE3 TRP 52 3HE TRP 52 14.811 -1.936 -18.108 349 HZ2 TRP 52 2HZ TRP 52 10.141 -0.348 -18.685 350 HZ3 TRP 52 3HZ TRP 52 14.124 -0.828 -20.215 351 HH2 TRP 52 HH TRP 52 11.794 -0.035 -20.508 352 H ASN 53 H ASN 53 14.950 -4.824 -13.055 353 HA ASN 53 HA ASN 53 13.439 -6.979 -12.125 354 HB2 ASN 53 2HB ASN 53 13.969 -4.584 -10.367 355 HB3 ASN 53 1HB ASN 53 13.997 -6.293 -9.933 356 HD21 ASN 53 1HD2 ASN 53 15.593 -7.270 -12.117 357 HD22 ASN 53 2HD2 ASN 53 17.158 -6.633 -11.956 358 H ASP 54 H ASP 54 11.530 -6.963 -10.655 359 HA ASP 54 HA ASP 54 9.472 -5.100 -11.700 360 HB2 ASP 54 2HB ASP 54 8.905 -7.345 -9.782 361 HB3 ASP 54 1HB ASP 54 7.879 -6.688 -11.057 362 H ASP 55 H ASP 55 7.708 -5.102 -9.527 363 HA ASP 55 HA ASP 55 9.227 -3.392 -7.620 364 HB2 ASP 55 2HB ASP 55 6.224 -3.631 -7.964 365 HB3 ASP 55 1HB ASP 55 7.093 -2.393 -7.056 366 H ARG 56 H ARG 56 9.235 -3.872 -5.414 367 HA ARG 56 HA ARG 56 7.765 -6.329 -4.547 368 HB2 ARG 56 2HB ARG 56 10.315 -6.578 -5.052 369 HB3 ARG 56 1HB ARG 56 10.527 -5.685 -3.546 370 HG2 ARG 56 2HG ARG 56 10.376 -7.721 -2.560 371 HG3 ARG 56 1HG ARG 56 8.642 -7.540 -2.827 372 HD2 ARG 56 2HD ARG 56 8.689 -9.345 -4.168 373 HD3 ARG 56 1HD ARG 56 9.752 -8.469 -5.267 374 HE ARG 56 HE ARG 56 10.592 -10.674 -3.779 375 HH11 ARG 56 1HH1 ARG 56 12.479 -9.414 -5.623 376 HH12 ARG 56 2HH1 ARG 56 13.683 -8.745 -4.572 377 HH21 ARG 56 1HH2 ARG 56 11.690 -8.919 -1.741 378 HH22 ARG 56 2HH2 ARG 56 13.236 -8.464 -2.376 379 H CYS 57 H CYS 57 6.494 -5.830 -2.851 380 HA CYS 57 HA CYS 57 6.689 -3.302 -1.476 381 HB2 CYS 57 2HB CYS 57 5.289 -5.681 -0.280 382 HB3 CYS 57 1HB CYS 57 4.816 -3.988 -0.247 383 H THR 58 H THR 58 7.529 -2.886 0.605 384 HA THR 58 HA THR 58 9.731 -4.626 1.399 385 HB THR 58 HB THR 58 10.437 -2.863 2.739 386 HG1 THR 58 1HG THR 58 8.818 -2.635 4.154 387 HG21 THR 58 3HG2 THR 58 9.568 -2.219 0.233 388 HG22 THR 58 1HG2 THR 58 10.450 -1.114 1.286 389 HG23 THR 58 2HG2 THR 58 8.690 -1.041 1.208 390 H GLY 59 H GLY 59 6.470 -4.757 2.002 391 HA2 GLY 59 2HA GLY 59 5.415 -6.329 3.460 392 HA3 GLY 59 1HA GLY 59 6.934 -6.484 4.349 393 H GLN 60 H GLN 60 7.017 -3.400 4.321 394 HA GLN 60 HA GLN 60 5.114 -3.028 6.595 395 HB2 GLN 60 2HB GLN 60 7.841 -1.834 6.038 396 HB3 GLN 60 1HB GLN 60 6.744 -1.166 7.247 397 HG2 GLN 60 2HG GLN 60 6.628 -3.676 8.073 398 HG3 GLN 60 1HG GLN 60 8.179 -3.796 7.241 399 HE21 GLN 60 1HE2 GLN 60 9.824 -3.541 8.757 400 HE22 GLN 60 2HE2 GLN 60 9.827 -2.392 10.008 401 H SER 61 H SER 61 5.765 -2.177 3.400 402 HA SER 61 HA SER 61 4.409 0.468 3.695 403 HB2 SER 61 2HB SER 61 5.901 -0.689 1.320 404 HB3 SER 61 1HB SER 61 5.226 0.935 1.424 405 HG SER 61 HG SER 61 7.115 1.397 2.234 406 H ALA 62 H ALA 62 2.439 0.833 2.660 407 HA ALA 62 HA ALA 62 1.100 -1.599 1.588 408 HB1 ALA 62 1HB ALA 62 -0.030 -0.369 3.425 409 HB2 ALA 62 2HB ALA 62 -0.993 -0.363 1.949 410 HB3 ALA 62 3HB ALA 62 -0.081 1.073 2.411 411 H ASP 63 H ASP 63 1.683 1.828 0.788 412 HA ASP 63 HA ASP 63 0.498 1.531 -1.870 413 HB2 ASP 63 2HB ASP 63 1.998 3.728 -0.447 414 HB3 ASP 63 1HB ASP 63 1.628 3.847 -2.168 415 H CYS 64 H CYS 64 1.563 0.703 -3.603 416 HA CYS 64 HA CYS 64 4.412 0.064 -3.385 417 HB2 CYS 64 2HB CYS 64 2.989 -1.555 -4.472 418 HB3 CYS 64 1HB CYS 64 2.394 -0.348 -5.608 419 HA PRO 65 HA PRO 65 5.459 3.960 -5.234 420 HB2 PRO 65 2HB PRO 65 8.104 3.727 -4.572 421 HB3 PRO 65 1HB PRO 65 6.872 4.301 -3.447 422 HG2 PRO 65 2HG PRO 65 8.321 1.713 -3.504 423 HG3 PRO 65 1HG PRO 65 7.492 2.504 -2.152 424 HD2 PRO 65 2HD PRO 65 6.511 0.339 -3.726 425 HD3 PRO 65 1HD PRO 65 5.614 1.259 -2.500 426 H ARG 66 H ARG 66 8.010 4.246 -6.392 427 HA ARG 66 HA ARG 66 8.063 2.125 -8.501 428 HB2 ARG 66 2HB ARG 66 7.653 5.029 -8.748 429 HB3 ARG 66 1HB ARG 66 8.931 4.404 -9.792 430 HG2 ARG 66 2HG ARG 66 7.265 3.815 -11.205 431 HG3 ARG 66 1HG ARG 66 6.935 2.507 -10.067 432 HD2 ARG 66 2HD ARG 66 4.860 3.681 -10.424 433 HD3 ARG 66 1HD ARG 66 5.431 4.106 -8.810 434 HE ARG 66 HE ARG 66 5.490 6.326 -9.568 435 HH11 ARG 66 1HH1 ARG 66 3.905 5.854 -12.002 436 HH12 ARG 66 2HH1 ARG 66 4.985 6.323 -13.272 437 HH21 ARG 66 1HH2 ARG 66 7.817 6.193 -11.275 438 HH22 ARG 66 2HH2 ARG 66 7.198 6.518 -12.860 439 H TYR 67 H TYR 67 10.186 1.800 -9.457 440 HA TYR 67 HA TYR 67 12.391 2.808 -7.706 441 HB2 TYR 67 2HB TYR 67 12.508 0.348 -9.460 442 HB3 TYR 67 1HB TYR 67 13.571 0.780 -8.120 443 HD1 TYR 67 1HD TYR 67 9.986 0.020 -8.896 444 HD2 TYR 67 2HD TYR 67 13.120 -0.017 -5.958 445 HE1 TYR 67 1HE TYR 67 8.498 -1.188 -7.324 446 HE2 TYR 67 2HE TYR 67 11.631 -1.226 -4.385 447 HH TYR 67 HH TYR 67 9.232 -1.554 -4.012 448 H HIS 68 H HIS 68 11.197 2.555 -10.968 449 HA HIS 68 HA HIS 68 13.765 3.580 -12.056 450 HB2 HIS 68 2HB HIS 68 11.282 2.997 -13.667 451 HB3 HIS 68 1HB HIS 68 12.965 2.979 -14.195 452 HD1 HIS 68 1HD HIS 68 14.106 1.263 -11.835 453 HD2 HIS 68 2HD HIS 68 10.720 0.276 -14.058 454 HE1 HIS 68 1HE HIS 68 13.802 -1.241 -11.603 Start of MODEL 12 1 H GLY 1 1HT GLY 1 -0.643 17.757 12.009 2 HA2 GLY 1 1HA GLY 1 0.196 19.415 9.748 3 HA3 GLY 1 2HA GLY 1 0.711 17.789 10.197 4 H LYS 2 H LYS 2 -0.036 16.251 8.826 5 HA LYS 2 HA LYS 2 -2.433 16.851 7.182 6 HB2 LYS 2 2HB LYS 2 -0.190 14.849 6.997 7 HB3 LYS 2 1HB LYS 2 -1.682 14.605 6.088 8 HG2 LYS 2 2HG LYS 2 0.142 17.023 5.942 9 HG3 LYS 2 1HG LYS 2 -0.089 15.807 4.687 10 HD2 LYS 2 2HD LYS 2 -2.660 16.532 5.064 11 HD3 LYS 2 1HD LYS 2 -1.868 18.046 5.500 12 HE2 LYS 2 2HE LYS 2 -1.929 18.416 3.247 13 HE3 LYS 2 1HE LYS 2 -0.478 17.413 3.256 14 HZ1 LYS 2 3HZ LYS 2 -1.564 16.006 1.957 15 HZ2 LYS 2 1HZ LYS 2 -3.015 16.870 2.118 16 HZ3 LYS 2 2HZ LYS 2 -2.614 15.667 3.249 17 H GLU 3 H GLU 3 -4.320 15.654 7.335 18 HA GLU 3 HA GLU 3 -4.374 13.495 9.410 19 HB2 GLU 3 2HB GLU 3 -6.732 14.255 9.877 20 HB3 GLU 3 1HB GLU 3 -5.500 15.436 10.324 21 HG2 GLU 3 2HG GLU 3 -5.912 16.746 8.363 22 HG3 GLU 3 1HG GLU 3 -6.898 15.475 7.642 23 H CYS 4 H CYS 4 -4.095 13.416 6.422 24 HA CYS 4 HA CYS 4 -6.478 11.691 5.905 25 HB2 CYS 4 2HB CYS 4 -5.171 13.703 4.059 26 HB3 CYS 4 1HB CYS 4 -6.239 12.436 3.470 27 H ASP 5 H ASP 5 -5.230 9.850 6.443 28 HA ASP 5 HA ASP 5 -2.669 9.320 5.166 29 HB2 ASP 5 2HB ASP 5 -3.222 8.345 7.358 30 HB3 ASP 5 1HB ASP 5 -4.577 7.475 6.640 31 H CYS 6 H CYS 6 -5.948 9.024 4.222 32 HA CYS 6 HA CYS 6 -5.083 7.487 1.820 33 HB2 CYS 6 2HB CYS 6 -7.006 6.046 1.919 34 HB3 CYS 6 1HB CYS 6 -6.242 5.983 3.506 35 H SER 7 H SER 7 -6.356 7.968 -0.071 36 HA SER 7 HA SER 7 -7.809 10.559 0.158 37 HB2 SER 7 2HB SER 7 -7.370 9.620 -2.554 38 HB3 SER 7 1HB SER 7 -6.828 11.113 -1.793 39 HG SER 7 HG SER 7 -4.953 10.223 -1.407 40 H SER 8 H SER 8 -8.504 7.321 0.105 41 HA SER 8 HA SER 8 -10.964 7.668 -1.537 42 HB2 SER 8 2HB SER 8 -9.751 5.136 -0.400 43 HB3 SER 8 1HB SER 8 -11.117 5.227 -1.506 44 HG SER 8 HG SER 8 -8.647 5.020 -2.180 45 HA PRO 9 HA PRO 9 -12.949 8.001 2.476 46 HB2 PRO 9 2HB PRO 9 -15.390 8.754 1.457 47 HB3 PRO 9 1HB PRO 9 -14.037 9.875 1.691 48 HG2 PRO 9 2HG PRO 9 -15.079 8.693 -0.843 49 HG3 PRO 9 1HG PRO 9 -14.222 10.223 -0.586 50 HD2 PRO 9 2HD PRO 9 -13.082 7.846 -1.604 51 HD3 PRO 9 1HD PRO 9 -12.185 9.261 -1.011 52 H GLU 10 H GLU 10 -13.858 6.041 -0.262 53 HA GLU 10 HA GLU 10 -15.901 4.554 1.271 54 HB2 GLU 10 2HB GLU 10 -15.717 5.095 -1.374 55 HB3 GLU 10 1HB GLU 10 -14.925 3.518 -1.337 56 HG2 GLU 10 2HG GLU 10 -17.009 2.640 -1.382 57 HG3 GLU 10 1HG GLU 10 -17.125 3.147 0.305 58 H ASN 11 H ASN 11 -12.832 4.643 1.747 59 HA ASN 11 HA ASN 11 -12.163 1.782 1.440 60 HB2 ASN 11 2HB ASN 11 -10.551 3.744 1.008 61 HB3 ASN 11 1HB ASN 11 -10.471 3.906 2.762 62 HD21 ASN 11 1HD2 ASN 11 -8.328 3.012 0.830 63 HD22 ASN 11 2HD2 ASN 11 -7.846 1.481 1.381 64 HA PRO 12 HA PRO 12 -13.628 1.142 5.611 65 HB2 PRO 12 2HB PRO 12 -13.048 -1.548 5.675 66 HB3 PRO 12 1HB PRO 12 -14.488 -0.871 4.895 67 HG2 PRO 12 2HG PRO 12 -11.994 -1.931 3.641 68 HG3 PRO 12 1HG PRO 12 -13.640 -1.869 2.989 69 HD2 PRO 12 2HD PRO 12 -11.549 -0.103 2.317 70 HD3 PRO 12 1HD PRO 12 -13.273 0.164 1.990 71 H CYS 13 H CYS 13 -10.438 0.620 4.383 72 HA CYS 13 HA CYS 13 -9.240 -0.202 6.908 73 HB2 CYS 13 2HB CYS 13 -8.046 0.877 4.337 74 HB3 CYS 13 1HB CYS 13 -7.088 0.314 5.706 75 H CYS 14 H CYS 14 -9.984 2.831 5.321 76 HA CYS 14 HA CYS 14 -8.822 4.253 7.680 77 HB2 CYS 14 2HB CYS 14 -8.062 6.045 6.267 78 HB3 CYS 14 1HB CYS 14 -7.460 4.542 5.570 79 H ASP 15 H ASP 15 -9.924 6.181 8.286 80 HA ASP 15 HA ASP 15 -12.811 6.056 7.846 81 HB2 ASP 15 2HB ASP 15 -11.446 6.711 10.001 82 HB3 ASP 15 1HB ASP 15 -11.417 8.306 9.254 83 H ALA 16 H ALA 16 -14.045 7.592 6.711 84 HA ALA 16 HA ALA 16 -12.623 9.109 4.655 85 HB1 ALA 16 1HB ALA 16 -15.580 9.122 5.337 86 HB2 ALA 16 2HB ALA 16 -14.817 7.967 4.244 87 HB3 ALA 16 3HB ALA 16 -14.843 9.682 3.836 88 H ALA 17 H ALA 17 -14.693 9.922 7.452 89 HA ALA 17 HA ALA 17 -14.607 12.737 7.181 90 HB1 ALA 17 1HB ALA 17 -14.491 11.399 9.878 91 HB2 ALA 17 2HB ALA 17 -15.927 11.248 8.865 92 HB3 ALA 17 3HB ALA 17 -15.387 12.840 9.398 93 H THR 18 H THR 18 -12.345 10.540 8.850 94 HA THR 18 HA THR 18 -10.501 12.854 9.224 95 HB THR 18 HB THR 18 -9.313 11.415 10.825 96 HG1 THR 18 1HG THR 18 -9.765 9.436 9.775 97 HG21 THR 18 3HG2 THR 18 -11.835 10.827 11.991 98 HG22 THR 18 1HG2 THR 18 -12.025 12.317 11.066 99 HG23 THR 18 2HG2 THR 18 -10.789 12.208 12.319 100 H CYS 19 H CYS 19 -11.097 10.778 6.862 101 HA CYS 19 HA CYS 19 -9.797 9.515 5.327 102 HB2 CYS 19 2HB CYS 19 -7.770 11.085 4.614 103 HB3 CYS 19 1HB CYS 19 -9.427 11.471 4.178 104 H LYS 20 H LYS 20 -9.107 8.792 8.041 105 HA LYS 20 HA LYS 20 -6.287 7.996 7.524 106 HB2 LYS 20 2HB LYS 20 -7.284 9.150 10.147 107 HB3 LYS 20 1HB LYS 20 -5.679 8.472 9.873 108 HG2 LYS 20 2HG LYS 20 -6.382 10.479 7.868 109 HG3 LYS 20 1HG LYS 20 -6.402 11.134 9.505 110 HD2 LYS 20 2HD LYS 20 -4.110 9.369 8.891 111 HD3 LYS 20 1HD LYS 20 -4.144 10.892 8.000 112 HE2 LYS 20 2HE LYS 20 -3.067 11.606 9.913 113 HE3 LYS 20 1HE LYS 20 -4.738 11.864 10.413 114 HZ1 LYS 20 3HZ LYS 20 -3.642 10.670 12.126 115 HZ2 LYS 20 1HZ LYS 20 -3.014 9.534 11.036 116 HZ3 LYS 20 2HZ LYS 20 -4.684 9.576 11.348 117 H LEU 21 H LEU 21 -5.640 6.107 8.818 118 HA LEU 21 HA LEU 21 -7.326 3.932 8.712 119 HB2 LEU 21 2HB LEU 21 -4.983 4.613 10.426 120 HB3 LEU 21 1HB LEU 21 -5.934 3.197 10.877 121 HG LEU 21 HG LEU 21 -5.728 2.784 8.206 122 HD11 LEU 21 1HD1 LEU 21 -4.324 4.551 7.576 123 HD12 LEU 21 2HD1 LEU 21 -3.175 3.240 7.832 124 HD13 LEU 21 3HD1 LEU 21 -3.394 4.474 9.073 125 HD21 LEU 21 3HD2 LEU 21 -5.113 1.286 10.175 126 HD22 LEU 21 1HD2 LEU 21 -3.517 2.036 10.139 127 HD23 LEU 21 2HD2 LEU 21 -4.090 1.112 8.750 128 H ARG 22 H ARG 22 -9.164 3.319 9.756 129 HA ARG 22 HA ARG 22 -10.111 4.956 12.017 130 HB2 ARG 22 2HB ARG 22 -11.415 3.738 9.918 131 HB3 ARG 22 1HB ARG 22 -11.743 2.635 11.254 132 HG2 ARG 22 2HG ARG 22 -12.523 4.542 12.628 133 HG3 ARG 22 1HG ARG 22 -12.251 5.621 11.260 134 HD2 ARG 22 2HD ARG 22 -13.809 4.103 9.924 135 HD3 ARG 22 1HD ARG 22 -14.235 3.348 11.460 136 HE ARG 22 HE ARG 22 -14.624 6.032 11.956 137 HH11 ARG 22 1HH1 ARG 22 -15.072 5.891 8.868 138 HH12 ARG 22 2HH1 ARG 22 -16.800 5.794 8.825 139 HH21 ARG 22 1HH2 ARG 22 -17.105 5.017 12.190 140 HH22 ARG 22 2HH2 ARG 22 -17.952 5.299 10.706 141 HA PRO 23 HA PRO 23 -9.871 0.703 14.144 142 HB2 PRO 23 2HB PRO 23 -8.890 -1.419 12.707 143 HB3 PRO 23 1HB PRO 23 -10.601 -0.961 12.719 144 HG2 PRO 23 2HG PRO 23 -8.588 -0.611 10.561 145 HG3 PRO 23 1HG PRO 23 -10.353 -0.685 10.444 146 HD2 PRO 23 2HD PRO 23 -8.728 1.662 10.368 147 HD3 PRO 23 1HD PRO 23 -10.500 1.597 10.431 148 H GLY 24 H GLY 24 -7.852 -1.244 14.269 149 HA2 GLY 24 2HA GLY 24 -5.467 0.455 14.726 150 HA3 GLY 24 1HA GLY 24 -5.712 -1.170 15.369 151 H ALA 25 H ALA 25 -6.339 -0.368 12.013 152 HA ALA 25 HA ALA 25 -4.658 -2.497 11.059 153 HB1 ALA 25 1HB ALA 25 -6.382 -0.413 9.892 154 HB2 ALA 25 2HB ALA 25 -6.146 -2.087 9.390 155 HB3 ALA 25 3HB ALA 25 -5.002 -0.845 8.881 156 H GLN 26 H GLN 26 -2.886 -1.958 9.343 157 HA GLN 26 HA GLN 26 -1.029 -0.032 10.637 158 HB2 GLN 26 2HB GLN 26 -0.753 -2.572 9.219 159 HB3 GLN 26 1HB GLN 26 0.354 -1.343 8.614 160 HG2 GLN 26 2HG GLN 26 1.598 -2.206 10.372 161 HG3 GLN 26 1HG GLN 26 0.759 -0.879 11.176 162 HE21 GLN 26 1HE2 GLN 26 0.034 -4.326 10.345 163 HE22 GLN 26 2HE2 GLN 26 -0.650 -4.694 11.854 164 H CYS 27 H CYS 27 -2.802 -0.573 7.671 165 HA CYS 27 HA CYS 27 -1.938 2.107 6.755 166 HB2 CYS 27 2HB CYS 27 -0.476 1.138 5.302 167 HB3 CYS 27 1HB CYS 27 -1.200 -0.454 5.482 168 H GLY 28 H GLY 28 -3.520 3.157 5.520 169 HA2 GLY 28 2HA GLY 28 -6.204 1.922 5.627 170 HA3 GLY 28 1HA GLY 28 -5.865 3.617 5.295 171 H GLU 29 H GLU 29 -3.788 3.029 3.366 172 HA GLU 29 HA GLU 29 -5.179 1.525 1.244 173 HB2 GLU 29 2HB GLU 29 -5.127 3.404 -0.294 174 HB3 GLU 29 1HB GLU 29 -6.042 3.855 1.133 175 HG2 GLU 29 2HG GLU 29 -4.329 5.217 1.966 176 HG3 GLU 29 1HG GLU 29 -3.093 4.423 0.989 177 H GLY 30 H GLY 30 -3.721 0.811 -0.387 178 HA2 GLY 30 2HA GLY 30 -1.190 1.672 -1.043 179 HA3 GLY 30 1HA GLY 30 -0.916 0.758 0.442 180 H LEU 31 H LEU 31 0.014 0.069 -2.252 181 HA LEU 31 HA LEU 31 -1.616 -1.994 -3.402 182 HB2 LEU 31 2HB LEU 31 1.368 -1.479 -3.521 183 HB3 LEU 31 1HB LEU 31 0.564 -2.738 -4.457 184 HG LEU 31 HG LEU 31 0.131 0.251 -4.627 185 HD11 LEU 31 1HD1 LEU 31 1.090 -1.908 -6.518 186 HD12 LEU 31 2HD1 LEU 31 1.949 -0.456 -6.002 187 HD13 LEU 31 3HD1 LEU 31 0.565 -0.323 -7.087 188 HD21 LEU 31 3HD2 LEU 31 -1.593 -2.052 -5.494 189 HD22 LEU 31 1HD2 LEU 31 -1.535 -0.596 -6.489 190 HD23 LEU 31 2HD2 LEU 31 -2.072 -0.499 -4.812 191 H CYS 32 H CYS 32 0.998 -2.069 -0.987 192 HA CYS 32 HA CYS 32 0.666 -4.987 -0.679 193 HB2 CYS 32 2HB CYS 32 2.376 -3.224 1.070 194 HB3 CYS 32 1HB CYS 32 2.604 -4.924 0.666 195 H CYS 33 H CYS 33 -1.439 -2.899 0.076 196 HA CYS 33 HA CYS 33 -1.604 -3.438 2.998 197 HB2 CYS 33 2HB CYS 33 -3.150 -1.529 1.224 198 HB3 CYS 33 1HB CYS 33 -3.439 -1.737 2.951 199 H GLU 34 H GLU 34 -2.506 -5.454 3.249 200 HA GLU 34 HA GLU 34 -5.019 -6.019 1.728 201 HB2 GLU 34 2HB GLU 34 -3.387 -8.127 3.132 202 HB3 GLU 34 1HB GLU 34 -4.500 -8.312 1.775 203 HG2 GLU 34 2HG GLU 34 -2.952 -7.139 0.295 204 HG3 GLU 34 1HG GLU 34 -1.857 -6.829 1.644 205 H GLN 35 H GLN 35 -6.863 -6.173 2.938 206 HA GLN 35 HA GLN 35 -8.251 -6.241 4.830 207 HB2 GLN 35 2HB GLN 35 -6.077 -8.126 5.346 208 HB3 GLN 35 1HB GLN 35 -6.728 -7.436 6.833 209 HG2 GLN 35 2HG GLN 35 -8.700 -8.305 4.776 210 HG3 GLN 35 1HG GLN 35 -7.842 -9.574 5.650 211 HE21 GLN 35 1HE2 GLN 35 -9.377 -10.263 7.188 212 HE22 GLN 35 2HE2 GLN 35 -10.156 -9.228 8.283 213 H CYS 36 H CYS 36 -6.121 -4.109 4.394 214 HA CYS 36 HA CYS 36 -5.607 -2.104 5.509 215 HB2 CYS 36 2HB CYS 36 -6.949 -3.240 7.967 216 HB3 CYS 36 1HB CYS 36 -6.741 -1.544 7.521 217 H LYS 37 H LYS 37 -3.746 -4.215 5.392 218 HA LYS 37 HA LYS 37 -2.165 -3.615 7.824 219 HB2 LYS 37 2HB LYS 37 -3.066 -6.354 6.962 220 HB3 LYS 37 1HB LYS 37 -1.524 -6.154 7.798 221 HG2 LYS 37 2HG LYS 37 -2.601 -6.007 9.764 222 HG3 LYS 37 1HG LYS 37 -3.486 -4.599 9.178 223 HD2 LYS 37 2HD LYS 37 -5.337 -5.891 9.338 224 HD3 LYS 37 1HD LYS 37 -4.744 -6.701 7.888 225 HE2 LYS 37 2HE LYS 37 -4.838 -8.561 9.210 226 HE3 LYS 37 1HE LYS 37 -3.278 -7.976 9.787 227 HZ1 LYS 37 3HZ LYS 37 -4.150 -7.706 11.786 228 HZ2 LYS 37 1HZ LYS 37 -5.644 -8.289 11.235 229 HZ3 LYS 37 2HZ LYS 37 -5.306 -6.624 11.168 230 H PHE 38 H PHE 38 0.159 -4.217 7.493 231 HA PHE 38 HA PHE 38 0.976 -3.586 4.761 232 HB2 PHE 38 2HB PHE 38 2.387 -4.060 7.365 233 HB3 PHE 38 1HB PHE 38 3.311 -4.148 5.869 234 HD1 PHE 38 2HD PHE 38 0.414 -1.963 6.776 235 HD2 PHE 38 1HD PHE 38 4.580 -2.183 5.777 236 HE1 PHE 38 2HE PHE 38 0.527 0.511 6.702 237 HE2 PHE 38 1HE PHE 38 4.695 0.293 5.696 238 HZ PHE 38 HZ PHE 38 2.666 1.642 6.159 239 H SER 39 H SER 39 1.262 -5.097 3.189 240 HA SER 39 HA SER 39 0.999 -7.902 3.643 241 HB2 SER 39 2HB SER 39 1.138 -8.054 1.372 242 HB3 SER 39 1HB SER 39 1.072 -6.296 1.417 243 HG SER 39 HG SER 39 3.297 -8.010 1.167 244 H ARG 40 H ARG 40 2.862 -9.492 3.090 245 HA ARG 40 HA ARG 40 5.117 -8.812 4.835 246 HB2 ARG 40 2HB ARG 40 4.285 -11.282 3.313 247 HB3 ARG 40 1HB ARG 40 5.879 -11.173 4.061 248 HG2 ARG 40 2HG ARG 40 3.884 -10.261 5.928 249 HG3 ARG 40 1HG ARG 40 3.433 -11.855 5.319 250 HD2 ARG 40 2HD ARG 40 6.201 -11.190 6.355 251 HD3 ARG 40 1HD ARG 40 4.933 -11.902 7.355 252 HE ARG 40 HE ARG 40 6.072 -13.247 4.937 253 HH11 ARG 40 1HH2 ARG 40 6.139 -13.458 8.225 254 HH12 ARG 40 2HH2 ARG 40 5.509 -15.068 8.341 255 HH21 ARG 40 1HH1 ARG 40 4.599 -15.236 5.001 256 HH22 ARG 40 2HH1 ARG 40 4.637 -16.073 6.516 257 H ALA 41 H ALA 41 7.397 -9.438 3.948 258 HA ALA 41 HA ALA 41 7.937 -7.721 1.682 259 HB1 ALA 41 1HB ALA 41 10.101 -9.558 2.297 260 HB2 ALA 41 2HB ALA 41 9.432 -8.861 3.772 261 HB3 ALA 41 3HB ALA 41 10.040 -7.806 2.496 262 H GLY 42 H GLY 42 9.135 -8.507 -0.276 263 HA2 GLY 42 2HA GLY 42 9.394 -9.988 -2.095 264 HA3 GLY 42 1HA GLY 42 8.891 -11.303 -1.032 265 H LYS 43 H LYS 43 6.886 -8.468 -1.259 266 HA LYS 43 HA LYS 43 4.799 -10.137 -2.571 267 HB2 LYS 43 2HB LYS 43 3.975 -9.118 -0.593 268 HB3 LYS 43 1HB LYS 43 4.727 -7.575 -0.978 269 HG2 LYS 43 2HG LYS 43 2.397 -7.314 -1.456 270 HG3 LYS 43 1HG LYS 43 3.195 -7.475 -3.016 271 HD2 LYS 43 2HD LYS 43 2.443 -10.060 -1.860 272 HD3 LYS 43 1HD LYS 43 1.056 -9.006 -2.141 273 HE2 LYS 43 2HE LYS 43 2.554 -8.651 -4.435 274 HE3 LYS 43 1HE LYS 43 2.791 -10.362 -4.080 275 HZ1 LYS 43 3HZ LYS 43 0.852 -10.443 -5.247 276 HZ2 LYS 43 1HZ LYS 43 0.326 -8.918 -4.724 277 HZ3 LYS 43 2HZ LYS 43 0.222 -10.255 -3.681 278 H ILE 44 H ILE 44 4.858 -9.994 -4.765 279 HA ILE 44 HA ILE 44 6.023 -7.893 -6.275 280 HB ILE 44 HB ILE 44 5.534 -10.077 -7.262 281 HG12 ILE 44 2HG1 ILE 44 4.441 -9.305 -9.357 282 HG13 ILE 44 1HG1 ILE 44 3.936 -7.830 -8.533 283 HG21 ILE 44 1HG2 ILE 44 3.574 -11.055 -6.729 284 HG22 ILE 44 2HG2 ILE 44 2.784 -9.937 -7.840 285 HG23 ILE 44 3HG2 ILE 44 2.922 -9.530 -6.130 286 HD11 ILE 44 3HD1 ILE 44 6.067 -6.956 -8.496 287 HD12 ILE 44 1HD1 ILE 44 6.211 -7.950 -9.945 288 HD13 ILE 44 2HD1 ILE 44 6.829 -8.544 -8.403 289 H CYS 45 H CYS 45 5.239 -5.911 -5.329 290 HA CYS 45 HA CYS 45 2.407 -5.277 -5.251 291 HB2 CYS 45 2HB CYS 45 3.287 -2.898 -4.974 292 HB3 CYS 45 1HB CYS 45 3.819 -4.054 -3.757 293 H ARG 46 H ARG 46 4.823 -5.228 -7.720 294 HA ARG 46 HA ARG 46 2.827 -4.196 -9.629 295 HB2 ARG 46 2HB ARG 46 4.374 -2.311 -8.513 296 HB3 ARG 46 1HB ARG 46 5.486 -2.853 -9.770 297 HG2 ARG 46 2HG ARG 46 3.863 -2.399 -11.499 298 HG3 ARG 46 1HG ARG 46 2.610 -2.068 -10.303 299 HD2 ARG 46 2HD ARG 46 3.970 -0.154 -9.458 300 HD3 ARG 46 1HD ARG 46 5.138 -0.454 -10.745 301 HE ARG 46 HE ARG 46 3.333 0.112 -12.369 302 HH11 ARG 46 1HH2 ARG 46 3.717 1.823 -9.537 303 HH12 ARG 46 2HH2 ARG 46 2.187 2.633 -9.598 304 HH21 ARG 46 1HH1 ARG 46 0.993 0.741 -12.247 305 HH22 ARG 46 2HH1 ARG 46 0.644 2.019 -11.132 306 H ILE 47 H ILE 47 3.057 -5.263 -11.546 307 HA ILE 47 HA ILE 47 5.318 -7.118 -11.857 308 HB ILE 47 HB ILE 47 3.099 -7.908 -12.485 309 HG12 ILE 47 2HG1 ILE 47 3.557 -8.366 -14.977 310 HG13 ILE 47 1HG1 ILE 47 5.019 -7.404 -14.765 311 HG21 ILE 47 1HG2 ILE 47 2.872 -5.252 -13.533 312 HG22 ILE 47 2HG2 ILE 47 1.613 -6.478 -13.387 313 HG23 ILE 47 3HG2 ILE 47 2.594 -6.391 -14.849 314 HD11 ILE 47 3HD1 ILE 47 5.528 -9.780 -14.437 315 HD12 ILE 47 1HD1 ILE 47 4.282 -9.892 -13.195 316 HD13 ILE 47 2HD1 ILE 47 5.718 -8.907 -12.916 317 H ALA 48 H ALA 48 7.145 -6.572 -12.952 318 HA ALA 48 HA ALA 48 7.700 -4.041 -13.992 319 HB1 ALA 48 1HB ALA 48 9.589 -5.400 -13.713 320 HB2 ALA 48 2HB ALA 48 9.415 -5.366 -15.468 321 HB3 ALA 48 3HB ALA 48 8.851 -6.763 -14.553 322 H ARG 49 H ARG 49 6.676 -2.984 -15.615 323 HA ARG 49 HA ARG 49 5.168 -4.424 -17.656 324 HB2 ARG 49 2HB ARG 49 5.835 -1.488 -17.298 325 HB3 ARG 49 1HB ARG 49 4.801 -2.108 -18.586 326 HG2 ARG 49 2HG ARG 49 4.312 -2.472 -15.614 327 HG3 ARG 49 1HG ARG 49 3.456 -1.338 -16.661 328 HD2 ARG 49 2HD ARG 49 3.304 -3.823 -17.973 329 HD3 ARG 49 1HD ARG 49 2.985 -4.171 -16.274 330 HE ARG 49 HE ARG 49 0.970 -2.936 -16.445 331 HH11 ARG 49 1HH1 ARG 49 1.200 -3.850 -19.383 332 HH12 ARG 49 2HH1 ARG 49 0.837 -2.368 -20.203 333 HH21 ARG 49 1HH2 ARG 49 1.289 -0.393 -17.389 334 HH22 ARG 49 2HH2 ARG 49 0.887 -0.410 -19.073 335 H GLY 50 H GLY 50 7.103 -5.655 -18.450 336 HA2 GLY 50 2HA GLY 50 8.016 -5.212 -20.907 337 HA3 GLY 50 1HA GLY 50 9.011 -4.042 -20.048 338 H ASP 51 H ASP 51 10.595 -4.827 -18.578 339 HA ASP 51 HA ASP 51 10.955 -7.607 -17.954 340 HB2 ASP 51 2HB ASP 51 11.884 -6.746 -20.552 341 HB3 ASP 51 1HB ASP 51 13.250 -7.235 -19.552 342 H TRP 52 H TRP 52 11.081 -5.471 -16.295 343 HA TRP 52 HA TRP 52 14.012 -5.071 -15.847 344 HB2 TRP 52 2HB TRP 52 12.487 -3.210 -14.298 345 HB3 TRP 52 1HB TRP 52 13.613 -2.869 -15.609 346 HD1 TRP 52 HD TRP 52 9.902 -3.592 -14.982 347 HE1 TRP 52 1HE TRP 52 8.532 -2.638 -16.947 348 HE3 TRP 52 3HE TRP 52 13.694 -2.115 -18.033 349 HZ2 TRP 52 2HZ TRP 52 8.998 -1.406 -19.489 350 HZ3 TRP 52 3HZ TRP 52 13.217 -1.052 -20.222 351 HH2 TRP 52 HH TRP 52 10.872 -0.697 -20.953 352 H ASN 53 H ASN 53 13.849 -4.158 -13.201 353 HA ASN 53 HA ASN 53 13.497 -6.690 -11.809 354 HB2 ASN 53 2HB ASN 53 14.002 -5.183 -9.767 355 HB3 ASN 53 1HB ASN 53 15.271 -5.364 -10.979 356 HD21 ASN 53 1HD2 ASN 53 16.231 -3.269 -10.672 357 HD22 ASN 53 2HD2 ASN 53 15.416 -1.827 -11.046 358 H ASP 54 H ASP 54 11.576 -7.400 -11.035 359 HA ASP 54 HA ASP 54 9.195 -5.804 -11.053 360 HB2 ASP 54 2HB ASP 54 9.609 -8.278 -9.364 361 HB3 ASP 54 1HB ASP 54 8.110 -7.694 -10.088 362 H ASP 55 H ASP 55 7.892 -5.276 -9.078 363 HA ASP 55 HA ASP 55 9.696 -4.247 -6.942 364 HB2 ASP 55 2HB ASP 55 6.793 -3.540 -7.450 365 HB3 ASP 55 1HB ASP 55 7.927 -2.689 -6.400 366 H ARG 56 H ARG 56 9.776 -5.419 -5.103 367 HA ARG 56 HA ARG 56 7.384 -7.063 -4.366 368 HB2 ARG 56 2HB ARG 56 10.313 -7.500 -3.707 369 HB3 ARG 56 1HB ARG 56 8.984 -8.504 -3.128 370 HG2 ARG 56 2HG ARG 56 8.675 -8.261 -5.944 371 HG3 ARG 56 1HG ARG 56 10.367 -8.657 -5.638 372 HD2 ARG 56 2HD ARG 56 9.842 -10.674 -4.582 373 HD3 ARG 56 1HD ARG 56 8.203 -10.156 -4.187 374 HE ARG 56 HE ARG 56 7.583 -10.555 -6.526 375 HH11 ARG 56 1HH1 ARG 56 9.186 -12.996 -5.368 376 HH12 ARG 56 2HH1 ARG 56 10.101 -13.429 -6.773 377 HH21 ARG 56 1HH2 ARG 56 9.438 -10.466 -8.444 378 HH22 ARG 56 2HH2 ARG 56 10.242 -11.998 -8.514 379 H CYS 57 H CYS 57 6.311 -6.245 -2.637 380 HA CYS 57 HA CYS 57 7.099 -4.038 -1.103 381 HB2 CYS 57 2HB CYS 57 5.550 -6.338 0.104 382 HB3 CYS 57 1HB CYS 57 5.398 -4.620 0.460 383 H THR 58 H THR 58 8.147 -3.853 0.953 384 HA THR 58 HA THR 58 10.119 -6.003 1.428 385 HB THR 58 HB THR 58 11.367 -4.388 2.671 386 HG1 THR 58 1HG THR 58 9.124 -2.671 2.497 387 HG21 THR 58 3HG2 THR 58 10.512 -2.321 0.873 388 HG22 THR 58 1HG2 THR 58 10.452 -3.870 0.034 389 HG23 THR 58 2HG2 THR 58 11.955 -3.329 0.780 390 H GLY 59 H GLY 59 7.123 -5.853 2.310 391 HA2 GLY 59 2HA GLY 59 5.988 -6.852 4.121 392 HA3 GLY 59 1HA GLY 59 7.557 -7.200 4.850 393 H GLN 60 H GLN 60 7.661 -4.001 4.083 394 HA GLN 60 HA GLN 60 6.307 -3.094 6.565 395 HB2 GLN 60 2HB GLN 60 9.227 -2.962 5.923 396 HB3 GLN 60 1HB GLN 60 8.501 -1.598 6.776 397 HG2 GLN 60 2HG GLN 60 8.197 -4.479 7.662 398 HG3 GLN 60 1HG GLN 60 9.432 -3.389 8.291 399 HE21 GLN 60 1HE2 GLN 60 7.509 -4.417 10.074 400 HE22 GLN 60 2HE2 GLN 60 6.457 -3.171 10.549 401 H SER 61 H SER 61 6.640 -2.732 3.307 402 HA SER 61 HA SER 61 6.157 0.220 3.473 403 HB2 SER 61 2HB SER 61 6.728 -0.496 0.797 404 HB3 SER 61 1HB SER 61 7.747 0.426 1.898 405 HG SER 61 HG SER 61 8.235 -1.933 0.909 406 H ALA 62 H ALA 62 3.950 0.469 3.418 407 HA ALA 62 HA ALA 62 2.195 -1.390 2.052 408 HB1 ALA 62 1HB ALA 62 0.916 -0.345 3.627 409 HB2 ALA 62 2HB ALA 62 0.670 0.856 2.359 410 HB3 ALA 62 3HB ALA 62 1.901 1.118 3.596 411 H ASP 63 H ASP 63 3.283 1.940 1.343 412 HA ASP 63 HA ASP 63 2.014 1.894 -1.293 413 HB2 ASP 63 2HB ASP 63 4.034 3.841 -0.132 414 HB3 ASP 63 1HB ASP 63 3.069 4.094 -1.587 415 H CYS 64 H CYS 64 2.905 0.632 -2.851 416 HA CYS 64 HA CYS 64 5.669 -0.224 -2.776 417 HB2 CYS 64 2HB CYS 64 3.981 -1.658 -3.776 418 HB3 CYS 64 1HB CYS 64 3.570 -0.410 -4.952 419 HA PRO 65 HA PRO 65 7.239 3.368 -4.810 420 HB2 PRO 65 2HB PRO 65 9.847 2.572 -4.573 421 HB3 PRO 65 1HB PRO 65 8.947 3.333 -3.261 422 HG2 PRO 65 2HG PRO 65 9.783 0.502 -3.590 423 HG3 PRO 65 1HG PRO 65 9.387 1.389 -2.108 424 HD2 PRO 65 2HD PRO 65 7.707 -0.448 -3.478 425 HD3 PRO 65 1HD PRO 65 7.237 0.625 -2.143 426 H ARG 66 H ARG 66 7.294 3.544 -7.027 427 HA ARG 66 HA ARG 66 7.969 1.163 -8.644 428 HB2 ARG 66 2HB ARG 66 7.140 2.504 -10.538 429 HB3 ARG 66 1HB ARG 66 5.967 2.500 -9.220 430 HG2 ARG 66 2HG ARG 66 7.501 4.660 -8.548 431 HG3 ARG 66 1HG ARG 66 7.565 4.732 -10.309 432 HD2 ARG 66 2HD ARG 66 5.127 4.691 -10.437 433 HD3 ARG 66 1HD ARG 66 5.014 4.504 -8.687 434 HE ARG 66 HE ARG 66 5.946 6.974 -10.077 435 HH11 ARG 66 1HH2 ARG 66 6.742 6.019 -7.146 436 HH12 ARG 66 2HH2 ARG 66 5.722 7.084 -6.236 437 HH21 ARG 66 1HH1 ARG 66 3.815 8.025 -8.975 438 HH22 ARG 66 2HH1 ARG 66 4.064 8.219 -7.272 439 H TYR 67 H TYR 67 9.756 1.056 -10.020 440 HA TYR 67 HA TYR 67 11.789 3.204 -9.620 441 HB2 TYR 67 2HB TYR 67 12.417 0.542 -10.859 442 HB3 TYR 67 1HB TYR 67 13.451 1.591 -9.889 443 HD1 TYR 67 1HD TYR 67 11.803 2.184 -7.552 444 HD2 TYR 67 2HD TYR 67 12.268 -1.502 -9.709 445 HE1 TYR 67 1HE TYR 67 11.183 0.913 -5.514 446 HE2 TYR 67 2HE TYR 67 11.649 -2.772 -7.672 447 HH TYR 67 HH TYR 67 11.707 -2.389 -5.182 448 H HIS 68 H HIS 68 10.719 0.950 -12.197 449 HA HIS 68 HA HIS 68 11.807 2.711 -14.265 450 HB2 HIS 68 2HB HIS 68 10.867 -0.003 -14.093 451 HB3 HIS 68 1HB HIS 68 10.027 0.819 -15.408 452 HD1 HIS 68 1HD HIS 68 13.373 -0.439 -14.370 453 HD2 HIS 68 2HD HIS 68 11.770 1.824 -17.482 454 HE1 HIS 68 1HE HIS 68 15.160 -0.316 -16.161 Start of MODEL 13 1 H GLY 1 1HT GLY 1 3.267 13.693 10.290 2 HA2 GLY 1 1HA GLY 1 1.159 11.658 10.666 3 HA3 GLY 1 2HA GLY 1 1.384 12.974 11.820 4 H LYS 2 H LYS 2 0.843 12.316 8.361 5 HA LYS 2 HA LYS 2 0.283 15.040 7.649 6 HB2 LYS 2 2HB LYS 2 -0.409 12.383 6.391 7 HB3 LYS 2 1HB LYS 2 -0.941 13.910 5.685 8 HG2 LYS 2 2HG LYS 2 1.115 14.347 4.866 9 HG3 LYS 2 1HG LYS 2 1.877 13.992 6.416 10 HD2 LYS 2 2HD LYS 2 0.929 11.537 5.263 11 HD3 LYS 2 1HD LYS 2 1.901 12.395 4.066 12 HE2 LYS 2 2HE LYS 2 3.815 12.366 5.398 13 HE3 LYS 2 1HE LYS 2 2.894 12.189 6.892 14 HZ1 LYS 2 3HZ LYS 2 4.112 10.178 5.534 15 HZ2 LYS 2 1HZ LYS 2 2.491 10.023 5.059 16 HZ3 LYS 2 2HZ LYS 2 2.899 9.986 6.708 17 H GLU 3 H GLU 3 -2.390 13.057 6.794 18 HA GLU 3 HA GLU 3 -4.085 13.520 9.042 19 HB2 GLU 3 2HB GLU 3 -3.675 15.795 7.295 20 HB3 GLU 3 1HB GLU 3 -5.368 15.298 7.288 21 HG2 GLU 3 2HG GLU 3 -5.691 16.022 9.403 22 HG3 GLU 3 1HG GLU 3 -4.213 15.245 9.972 23 H CYS 4 H CYS 4 -3.767 12.999 5.596 24 HA CYS 4 HA CYS 4 -6.316 11.416 5.683 25 HB2 CYS 4 2HB CYS 4 -5.122 13.071 3.442 26 HB3 CYS 4 1HB CYS 4 -6.460 11.951 3.210 27 H ASP 5 H ASP 5 -5.559 9.349 5.897 28 HA ASP 5 HA ASP 5 -3.162 8.465 4.422 29 HB2 ASP 5 2HB ASP 5 -4.360 7.721 6.843 30 HB3 ASP 5 1HB ASP 5 -4.677 6.364 5.761 31 H CYS 6 H CYS 6 -6.524 8.613 3.906 32 HA CYS 6 HA CYS 6 -6.248 6.636 1.684 33 HB2 CYS 6 2HB CYS 6 -8.451 6.932 3.716 34 HB3 CYS 6 1HB CYS 6 -8.796 6.266 2.118 35 H SER 7 H SER 7 -7.856 7.060 -0.088 36 HA SER 7 HA SER 7 -8.483 9.981 -0.256 37 HB2 SER 7 2HB SER 7 -8.130 9.711 -2.732 38 HB3 SER 7 1HB SER 7 -6.671 9.458 -1.778 39 HG SER 7 HG SER 7 -8.411 7.357 -2.550 40 H SER 8 H SER 8 -10.106 7.460 0.503 41 HA SER 8 HA SER 8 -12.356 8.054 -1.363 42 HB2 SER 8 2HB SER 8 -11.190 5.803 -1.780 43 HB3 SER 8 1HB SER 8 -11.845 5.302 -0.224 44 HG SER 8 HG SER 8 -13.338 6.313 -2.423 45 HA PRO 9 HA PRO 9 -14.355 8.684 2.557 46 HB2 PRO 9 2HB PRO 9 -16.832 9.271 1.518 47 HB3 PRO 9 1HB PRO 9 -15.488 10.425 1.553 48 HG2 PRO 9 2HG PRO 9 -16.597 8.911 -0.760 49 HG3 PRO 9 1HG PRO 9 -15.731 10.455 -0.743 50 HD2 PRO 9 2HD PRO 9 -14.632 7.937 -1.445 51 HD3 PRO 9 1HD PRO 9 -13.719 9.426 -1.121 52 H GLU 10 H GLU 10 -15.260 6.363 0.138 53 HA GLU 10 HA GLU 10 -17.284 5.071 1.851 54 HB2 GLU 10 2HB GLU 10 -17.580 5.151 -0.617 55 HB3 GLU 10 1HB GLU 10 -16.116 4.184 -0.805 56 HG2 GLU 10 2HG GLU 10 -17.974 2.994 1.104 57 HG3 GLU 10 1HG GLU 10 -18.699 3.191 -0.492 58 H ASN 11 H ASN 11 -13.947 5.093 1.693 59 HA ASN 11 HA ASN 11 -13.444 2.264 2.132 60 HB2 ASN 11 2HB ASN 11 -11.802 4.089 1.280 61 HB3 ASN 11 1HB ASN 11 -11.597 4.485 2.987 62 HD21 ASN 11 1HD2 ASN 11 -9.690 3.135 0.997 63 HD22 ASN 11 2HD2 ASN 11 -9.234 1.693 1.768 64 HA PRO 12 HA PRO 12 -14.746 2.619 6.411 65 HB2 PRO 12 2HB PRO 12 -14.643 -0.082 6.909 66 HB3 PRO 12 1HB PRO 12 -16.000 0.714 6.092 67 HG2 PRO 12 2HG PRO 12 -13.849 -0.994 4.931 68 HG3 PRO 12 1HG PRO 12 -15.496 -0.709 4.342 69 HD2 PRO 12 2HD PRO 12 -13.140 0.487 3.323 70 HD3 PRO 12 1HD PRO 12 -14.806 0.998 2.975 71 H CYS 13 H CYS 13 -11.824 1.177 5.152 72 HA CYS 13 HA CYS 13 -10.630 0.689 7.771 73 HB2 CYS 13 2HB CYS 13 -10.076 -0.122 5.156 74 HB3 CYS 13 1HB CYS 13 -8.733 0.948 5.571 75 H CYS 14 H CYS 14 -11.414 3.508 6.335 76 HA CYS 14 HA CYS 14 -9.193 4.913 7.715 77 HB2 CYS 14 2HB CYS 14 -9.988 6.068 5.093 78 HB3 CYS 14 1HB CYS 14 -8.414 6.054 5.883 79 H ASP 15 H ASP 15 -10.202 6.262 9.113 80 HA ASP 15 HA ASP 15 -12.933 6.947 9.098 81 HB2 ASP 15 2HB ASP 15 -11.100 7.344 10.918 82 HB3 ASP 15 1HB ASP 15 -10.847 8.882 10.085 83 H ALA 16 H ALA 16 -14.105 8.370 7.868 84 HA ALA 16 HA ALA 16 -12.865 9.726 5.639 85 HB1 ALA 16 1HB ALA 16 -15.251 8.895 5.702 86 HB2 ALA 16 2HB ALA 16 -15.081 10.562 5.153 87 HB3 ALA 16 3HB ALA 16 -15.620 10.226 6.798 88 H ALA 17 H ALA 17 -14.216 10.838 8.749 89 HA ALA 17 HA ALA 17 -13.844 13.617 8.382 90 HB1 ALA 17 1HB ALA 17 -13.378 12.150 10.990 91 HB2 ALA 17 2HB ALA 17 -14.989 12.456 10.338 92 HB3 ALA 17 3HB ALA 17 -13.942 13.808 10.774 93 H THR 18 H THR 18 -11.596 11.273 9.895 94 HA THR 18 HA THR 18 -9.427 13.281 9.646 95 HB THR 18 HB THR 18 -8.425 12.228 11.393 96 HG1 THR 18 1HG THR 18 -7.625 10.472 10.536 97 HG21 THR 18 3HG2 THR 18 -11.061 12.139 11.778 98 HG22 THR 18 1HG2 THR 18 -9.938 11.431 12.939 99 HG23 THR 18 2HG2 THR 18 -10.758 10.402 11.765 100 H CYS 19 H CYS 19 -10.794 11.286 7.567 101 HA CYS 19 HA CYS 19 -10.064 9.845 5.837 102 HB2 CYS 19 2HB CYS 19 -8.108 11.053 4.573 103 HB3 CYS 19 1HB CYS 19 -9.704 11.767 4.601 104 H LYS 20 H LYS 20 -8.755 9.200 8.430 105 HA LYS 20 HA LYS 20 -6.261 8.026 7.253 106 HB2 LYS 20 2HB LYS 20 -6.631 8.991 10.104 107 HB3 LYS 20 1HB LYS 20 -5.197 8.182 9.477 108 HG2 LYS 20 2HG LYS 20 -5.618 10.262 7.674 109 HG3 LYS 20 1HG LYS 20 -5.992 10.982 9.242 110 HD2 LYS 20 2HD LYS 20 -3.684 11.303 9.125 111 HD3 LYS 20 1HD LYS 20 -3.785 9.780 10.008 112 HE2 LYS 20 2HE LYS 20 -2.878 8.589 8.300 113 HE3 LYS 20 1HE LYS 20 -3.786 9.478 7.078 114 HZ1 LYS 20 3HZ LYS 20 -2.044 11.313 8.093 115 HZ2 LYS 20 1HZ LYS 20 -1.878 10.490 6.619 116 HZ3 LYS 20 2HZ LYS 20 -1.119 9.891 8.017 117 H LEU 21 H LEU 21 -5.563 6.032 8.627 118 HA LEU 21 HA LEU 21 -7.558 4.068 8.512 119 HB2 LEU 21 2HB LEU 21 -5.036 4.224 10.169 120 HB3 LEU 21 1HB LEU 21 -6.069 2.795 10.168 121 HG LEU 21 HG LEU 21 -5.690 3.552 7.454 122 HD11 LEU 21 1HD1 LEU 21 -3.669 4.756 8.567 123 HD12 LEU 21 2HD1 LEU 21 -3.358 3.725 7.170 124 HD13 LEU 21 3HD1 LEU 21 -3.025 3.129 8.796 125 HD21 LEU 21 3HD2 LEU 21 -5.710 1.263 9.028 126 HD22 LEU 21 1HD2 LEU 21 -4.052 1.324 8.429 127 HD23 LEU 21 2HD2 LEU 21 -5.401 1.308 7.292 128 H ARG 22 H ARG 22 -9.392 3.856 9.661 129 HA ARG 22 HA ARG 22 -9.802 5.359 12.127 130 HB2 ARG 22 2HB ARG 22 -11.454 4.207 10.157 131 HB3 ARG 22 1HB ARG 22 -11.817 3.336 11.647 132 HG2 ARG 22 2HG ARG 22 -11.597 6.034 12.407 133 HG3 ARG 22 1HG ARG 22 -12.520 6.049 10.905 134 HD2 ARG 22 2HD ARG 22 -13.977 4.230 11.883 135 HD3 ARG 22 1HD ARG 22 -13.143 4.476 13.417 136 HE ARG 22 HE ARG 22 -13.968 6.922 13.176 137 HH11 ARG 22 1HH1 ARG 22 -15.382 5.596 10.611 138 HH12 ARG 22 2HH1 ARG 22 -17.022 5.681 11.162 139 HH21 ARG 22 1HH2 ARG 22 -16.161 6.408 14.441 140 HH22 ARG 22 2HH2 ARG 22 -17.463 6.140 13.330 141 HA PRO 23 HA PRO 23 -9.828 0.983 14.037 142 HB2 PRO 23 2HB PRO 23 -9.154 -1.125 12.406 143 HB3 PRO 23 1HB PRO 23 -10.814 -0.543 12.617 144 HG2 PRO 23 2HG PRO 23 -8.983 -0.185 10.293 145 HG3 PRO 23 1HG PRO 23 -10.753 -0.185 10.336 146 HD2 PRO 23 2HD PRO 23 -9.087 2.103 10.185 147 HD3 PRO 23 1HD PRO 23 -10.829 2.098 10.532 148 H GLY 24 H GLY 24 -7.957 -1.068 14.009 149 HA2 GLY 24 2HA GLY 24 -5.442 0.453 14.313 150 HA3 GLY 24 1HA GLY 24 -5.734 -1.186 14.896 151 H ALA 25 H ALA 25 -6.570 -0.261 11.626 152 HA ALA 25 HA ALA 25 -4.896 -2.365 10.531 153 HB1 ALA 25 1HB ALA 25 -5.617 -1.020 8.333 154 HB2 ALA 25 2HB ALA 25 -6.784 -0.316 9.450 155 HB3 ALA 25 3HB ALA 25 -6.754 -2.059 9.191 156 H GLN 26 H GLN 26 -2.981 -2.112 9.276 157 HA GLN 26 HA GLN 26 -1.440 0.303 9.960 158 HB2 GLN 26 2HB GLN 26 -0.846 -2.439 9.376 159 HB3 GLN 26 1HB GLN 26 0.031 -1.416 8.236 160 HG2 GLN 26 2HG GLN 26 1.474 -1.551 10.105 161 HG3 GLN 26 1HG GLN 26 0.659 0.002 10.291 162 HE21 GLN 26 1HE2 GLN 26 0.373 -3.431 11.342 163 HE22 GLN 26 2HE2 GLN 26 -0.343 -3.066 12.838 164 H CYS 27 H CYS 27 -3.504 -0.536 7.479 165 HA CYS 27 HA CYS 27 -2.713 1.726 5.871 166 HB2 CYS 27 2HB CYS 27 -2.261 0.206 3.802 167 HB3 CYS 27 1HB CYS 27 -0.955 0.470 4.958 168 H GLY 28 H GLY 28 -4.657 2.437 5.175 169 HA2 GLY 28 2HA GLY 28 -6.896 0.549 4.903 170 HA3 GLY 28 1HA GLY 28 -7.005 2.301 4.788 171 H GLU 29 H GLU 29 -4.587 2.162 2.933 172 HA GLU 29 HA GLU 29 -5.781 0.873 0.560 173 HB2 GLU 29 2HB GLU 29 -5.924 2.861 -0.714 174 HB3 GLU 29 1HB GLU 29 -6.664 3.262 0.827 175 HG2 GLU 29 2HG GLU 29 -5.235 5.078 0.529 176 HG3 GLU 29 1HG GLU 29 -4.228 3.992 1.489 177 H GLY 30 H GLY 30 -4.208 0.293 -0.961 178 HA2 GLY 30 2HA GLY 30 -1.747 1.336 -1.535 179 HA3 GLY 30 1HA GLY 30 -1.429 0.455 -0.041 180 H LEU 31 H LEU 31 -0.230 -0.259 -2.501 181 HA LEU 31 HA LEU 31 -1.719 -2.527 -3.621 182 HB2 LEU 31 2HB LEU 31 1.116 -1.545 -4.072 183 HB3 LEU 31 1HB LEU 31 0.351 -2.851 -4.976 184 HG LEU 31 HG LEU 31 -0.741 -0.031 -4.810 185 HD11 LEU 31 1HD1 LEU 31 1.429 -1.111 -6.355 186 HD12 LEU 31 2HD1 LEU 31 0.765 0.522 -6.387 187 HD13 LEU 31 3HD1 LEU 31 0.092 -0.724 -7.437 188 HD21 LEU 31 3HD2 LEU 31 -2.563 -1.382 -5.352 189 HD22 LEU 31 1HD2 LEU 31 -1.563 -2.577 -6.177 190 HD23 LEU 31 2HD2 LEU 31 -1.917 -1.035 -6.955 191 H CYS 32 H CYS 32 0.801 -1.978 -1.243 192 HA CYS 32 HA CYS 32 1.224 -4.915 -1.004 193 HB2 CYS 32 2HB CYS 32 2.723 -2.791 0.531 194 HB3 CYS 32 1HB CYS 32 3.234 -4.435 0.145 195 H CYS 33 H CYS 33 -1.218 -3.432 -0.045 196 HA CYS 33 HA CYS 33 -0.921 -3.935 2.884 197 HB2 CYS 33 2HB CYS 33 -1.691 -1.652 2.215 198 HB3 CYS 33 1HB CYS 33 -3.107 -2.384 1.463 199 H GLU 34 H GLU 34 -1.610 -5.944 3.407 200 HA GLU 34 HA GLU 34 -3.943 -7.070 1.919 201 HB2 GLU 34 2HB GLU 34 -1.415 -8.183 2.634 202 HB3 GLU 34 1HB GLU 34 -2.654 -9.031 3.562 203 HG2 GLU 34 2HG GLU 34 -3.937 -9.083 1.273 204 HG3 GLU 34 1HG GLU 34 -2.336 -8.817 0.584 205 H GLN 35 H GLN 35 -5.815 -7.316 3.067 206 HA GLN 35 HA GLN 35 -7.278 -7.327 4.906 207 HB2 GLN 35 2HB GLN 35 -4.836 -8.180 6.491 208 HB3 GLN 35 1HB GLN 35 -6.527 -8.452 6.914 209 HG2 GLN 35 2HG GLN 35 -6.776 -9.819 4.829 210 HG3 GLN 35 1HG GLN 35 -5.043 -9.640 4.553 211 HE21 GLN 35 1HE2 GLN 35 -4.939 -12.063 4.795 212 HE22 GLN 35 2HE2 GLN 35 -4.917 -12.736 6.353 213 H CYS 36 H CYS 36 -5.774 -4.949 4.159 214 HA CYS 36 HA CYS 36 -5.467 -2.768 4.948 215 HB2 CYS 36 2HB CYS 36 -7.139 -4.003 7.108 216 HB3 CYS 36 1HB CYS 36 -6.369 -2.452 7.407 217 H LYS 37 H LYS 37 -3.640 -5.189 5.667 218 HA LYS 37 HA LYS 37 -2.162 -3.787 7.863 219 HB2 LYS 37 2HB LYS 37 -2.746 -6.631 7.351 220 HB3 LYS 37 1HB LYS 37 -1.059 -6.297 7.746 221 HG2 LYS 37 2HG LYS 37 -3.111 -4.932 9.414 222 HG3 LYS 37 1HG LYS 37 -2.930 -6.673 9.645 223 HD2 LYS 37 2HD LYS 37 -0.393 -6.201 9.775 224 HD3 LYS 37 1HD LYS 37 -0.853 -4.512 10.001 225 HE2 LYS 37 2HE LYS 37 -0.750 -5.273 12.209 226 HE3 LYS 37 1HE LYS 37 -2.462 -5.479 11.837 227 HZ1 LYS 37 3HZ LYS 37 -0.642 -7.685 11.219 228 HZ2 LYS 37 1HZ LYS 37 -2.265 -7.727 11.711 229 HZ3 LYS 37 2HZ LYS 37 -1.041 -7.420 12.849 230 H PHE 38 H PHE 38 0.299 -4.287 7.685 231 HA PHE 38 HA PHE 38 1.139 -3.423 5.029 232 HB2 PHE 38 2HB PHE 38 2.540 -4.007 7.624 233 HB3 PHE 38 1HB PHE 38 3.476 -3.813 6.145 234 HD1 PHE 38 1HD PHE 38 1.886 -1.766 4.705 235 HD2 PHE 38 2HD PHE 38 2.964 -2.043 8.855 236 HE1 PHE 38 1HE PHE 38 1.703 0.694 4.917 237 HE2 PHE 38 2HE PHE 38 2.783 0.420 9.065 238 HZ PHE 38 HZ PHE 38 2.150 1.790 7.096 239 H SER 39 H SER 39 1.472 -4.835 3.384 240 HA SER 39 HA SER 39 1.417 -7.662 3.686 241 HB2 SER 39 2HB SER 39 2.492 -5.885 1.485 242 HB3 SER 39 1HB SER 39 2.494 -7.642 1.363 243 HG SER 39 HG SER 39 0.156 -6.243 2.081 244 H ARG 40 H ARG 40 3.328 -9.122 3.129 245 HA ARG 40 HA ARG 40 5.521 -8.494 4.918 246 HB2 ARG 40 2HB ARG 40 5.734 -10.679 2.880 247 HB3 ARG 40 1HB ARG 40 6.211 -10.684 4.578 248 HG2 ARG 40 2HG ARG 40 3.683 -10.489 5.088 249 HG3 ARG 40 1HG ARG 40 3.445 -10.976 3.410 250 HD2 ARG 40 2HD ARG 40 3.733 -13.118 4.026 251 HD3 ARG 40 1HD ARG 40 5.390 -12.731 4.491 252 HE ARG 40 HE ARG 40 4.686 -12.635 6.763 253 HH11 ARG 40 1HH2 ARG 40 2.016 -12.276 4.649 254 HH12 ARG 40 2HH2 ARG 40 0.843 -12.804 5.806 255 HH21 ARG 40 1HH1 ARG 40 3.197 -13.557 8.241 256 HH22 ARG 40 2HH1 ARG 40 1.511 -13.530 7.843 257 H ALA 41 H ALA 41 7.850 -8.656 4.088 258 HA ALA 41 HA ALA 41 8.229 -6.663 2.014 259 HB1 ALA 41 1HB ALA 41 9.765 -7.446 4.086 260 HB2 ALA 41 2HB ALA 41 10.441 -6.674 2.651 261 HB3 ALA 41 3HB ALA 41 10.494 -8.430 2.817 262 H GLY 42 H GLY 42 9.444 -7.016 0.071 263 HA2 GLY 42 2HA GLY 42 9.882 -8.125 -1.905 264 HA3 GLY 42 1HA GLY 42 9.799 -9.652 -1.072 265 H LYS 43 H LYS 43 7.242 -7.227 -1.057 266 HA LYS 43 HA LYS 43 5.379 -9.248 -2.137 267 HB2 LYS 43 2HB LYS 43 4.412 -8.054 -0.358 268 HB3 LYS 43 1HB LYS 43 5.079 -6.521 -0.901 269 HG2 LYS 43 2HG LYS 43 2.715 -6.504 -1.392 270 HG3 LYS 43 1HG LYS 43 3.571 -6.671 -2.922 271 HD2 LYS 43 2HD LYS 43 2.264 -8.478 -3.287 272 HD3 LYS 43 1HD LYS 43 3.262 -9.296 -2.084 273 HE2 LYS 43 2HE LYS 43 1.430 -9.504 -0.791 274 HE3 LYS 43 1HE LYS 43 1.408 -7.749 -0.621 275 HZ1 LYS 43 3HZ LYS 43 -0.238 -7.536 -2.111 276 HZ2 LYS 43 1HZ LYS 43 -0.566 -9.154 -1.726 277 HZ3 LYS 43 2HZ LYS 43 0.342 -8.780 -3.112 278 H ILE 44 H ILE 44 5.183 -9.435 -4.311 279 HA ILE 44 HA ILE 44 6.179 -7.513 -6.185 280 HB ILE 44 HB ILE 44 5.945 -9.803 -6.885 281 HG12 ILE 44 2HG1 ILE 44 4.377 -9.544 -8.867 282 HG13 ILE 44 1HG1 ILE 44 3.924 -7.972 -8.208 283 HG21 ILE 44 1HG2 ILE 44 3.171 -9.425 -5.832 284 HG22 ILE 44 2HG2 ILE 44 4.273 -10.783 -5.620 285 HG23 ILE 44 3HG2 ILE 44 3.416 -10.574 -7.148 286 HD11 ILE 44 3HD1 ILE 44 5.925 -8.230 -9.964 287 HD12 ILE 44 1HD1 ILE 44 6.838 -8.556 -8.491 288 HD13 ILE 44 2HD1 ILE 44 5.975 -7.028 -8.674 289 H CYS 45 H CYS 45 5.240 -5.497 -5.586 290 HA CYS 45 HA CYS 45 2.339 -5.157 -5.530 291 HB2 CYS 45 2HB CYS 45 2.983 -2.687 -5.455 292 HB3 CYS 45 1HB CYS 45 3.581 -3.681 -4.134 293 H ARG 46 H ARG 46 4.743 -5.193 -7.989 294 HA ARG 46 HA ARG 46 2.689 -4.502 -9.980 295 HB2 ARG 46 2HB ARG 46 3.557 -2.290 -9.484 296 HB3 ARG 46 1HB ARG 46 5.217 -2.864 -9.649 297 HG2 ARG 46 2HG ARG 46 4.910 -3.300 -12.004 298 HG3 ARG 46 1HG ARG 46 3.180 -2.977 -11.889 299 HD2 ARG 46 2HD ARG 46 4.885 -0.785 -10.903 300 HD3 ARG 46 1HD ARG 46 5.053 -1.116 -12.628 301 HE ARG 46 HE ARG 46 2.705 0.017 -11.327 302 HH11 ARG 46 1HH2 ARG 46 4.087 0.020 -14.230 303 HH12 ARG 46 2HH2 ARG 46 2.698 -0.427 -15.163 304 HH21 ARG 46 1HH1 ARG 46 0.819 -1.372 -12.408 305 HH22 ARG 46 2HH1 ARG 46 0.849 -1.215 -14.132 306 H ILE 47 H ILE 47 3.053 -5.587 -11.887 307 HA ILE 47 HA ILE 47 5.295 -7.474 -11.963 308 HB ILE 47 HB ILE 47 3.082 -8.181 -12.761 309 HG12 ILE 47 2HG1 ILE 47 3.754 -8.998 -15.016 310 HG13 ILE 47 1HG1 ILE 47 5.122 -7.884 -14.990 311 HG21 ILE 47 1HG2 ILE 47 2.212 -6.038 -13.507 312 HG22 ILE 47 2HG2 ILE 47 2.197 -7.153 -14.875 313 HG23 ILE 47 3HG2 ILE 47 3.457 -5.925 -14.751 314 HD11 ILE 47 3HD1 ILE 47 6.178 -9.033 -13.217 315 HD12 ILE 47 1HD1 ILE 47 5.557 -10.322 -14.249 316 HD13 ILE 47 2HD1 ILE 47 4.696 -9.883 -12.774 317 H ALA 48 H ALA 48 7.044 -7.371 -13.437 318 HA ALA 48 HA ALA 48 7.705 -4.693 -14.367 319 HB1 ALA 48 1HB ALA 48 9.078 -7.301 -14.163 320 HB2 ALA 48 2HB ALA 48 9.706 -5.677 -13.889 321 HB3 ALA 48 3HB ALA 48 9.583 -6.310 -15.531 322 H ARG 49 H ARG 49 6.813 -3.896 -16.200 323 HA ARG 49 HA ARG 49 5.799 -5.701 -18.278 324 HB2 ARG 49 2HB ARG 49 5.985 -2.673 -18.304 325 HB3 ARG 49 1HB ARG 49 4.974 -3.680 -19.344 326 HG2 ARG 49 2HG ARG 49 3.345 -3.670 -17.795 327 HG3 ARG 49 1HG ARG 49 4.445 -4.399 -16.625 328 HD2 ARG 49 2HD ARG 49 3.687 -2.318 -15.680 329 HD3 ARG 49 1HD ARG 49 5.361 -2.082 -16.183 330 HE ARG 49 HE ARG 49 4.338 -0.250 -17.315 331 HH11 ARG 49 1HH2 ARG 49 1.779 -2.310 -17.085 332 HH12 ARG 49 2HH2 ARG 49 1.210 -2.119 -18.710 333 HH21 ARG 49 1HH1 ARG 49 4.026 -0.398 -19.773 334 HH22 ARG 49 2HH1 ARG 49 2.482 -1.035 -20.231 335 H GLY 50 H GLY 50 7.686 -6.690 -19.127 336 HA2 GLY 50 2HA GLY 50 8.945 -6.154 -21.326 337 HA3 GLY 50 1HA GLY 50 9.662 -4.846 -20.394 338 H ASP 51 H ASP 51 11.112 -5.388 -18.689 339 HA ASP 51 HA ASP 51 11.756 -8.050 -17.885 340 HB2 ASP 51 2HB ASP 51 13.032 -7.060 -20.364 341 HB3 ASP 51 1HB ASP 51 14.134 -7.754 -19.175 342 H TRP 52 H TRP 52 11.611 -6.399 -16.039 343 HA TRP 52 HA TRP 52 14.345 -5.286 -15.554 344 HB2 TRP 52 2HB TRP 52 12.209 -3.908 -14.094 345 HB3 TRP 52 1HB TRP 52 13.545 -3.233 -15.022 346 HD1 TRP 52 HD TRP 52 9.914 -4.218 -15.277 347 HE1 TRP 52 1HE TRP 52 8.958 -3.414 -17.529 348 HE3 TRP 52 3HE TRP 52 14.214 -2.740 -17.549 349 HZ2 TRP 52 2HZ TRP 52 9.908 -2.285 -19.983 350 HZ3 TRP 52 3HZ TRP 52 14.174 -1.801 -19.846 351 HH2 TRP 52 HH TRP 52 12.023 -1.573 -21.064 352 H ASN 53 H ASN 53 13.541 -4.424 -12.862 353 HA ASN 53 HA ASN 53 13.652 -7.093 -11.567 354 HB2 ASN 53 2HB ASN 53 14.265 -4.285 -10.631 355 HB3 ASN 53 1HB ASN 53 14.137 -5.633 -9.501 356 HD21 ASN 53 1HD2 ASN 53 16.371 -3.950 -11.354 357 HD22 ASN 53 2HD2 ASN 53 17.562 -5.151 -11.489 358 H ASP 54 H ASP 54 11.769 -7.933 -10.812 359 HA ASP 54 HA ASP 54 9.250 -6.793 -10.866 360 HB2 ASP 54 2HB ASP 54 8.840 -8.303 -8.739 361 HB3 ASP 54 1HB ASP 54 9.215 -9.049 -10.292 362 H ASP 55 H ASP 55 7.890 -5.838 -9.176 363 HA ASP 55 HA ASP 55 9.445 -3.940 -7.518 364 HB2 ASP 55 2HB ASP 55 7.382 -3.400 -9.073 365 HB3 ASP 55 1HB ASP 55 6.450 -3.932 -7.674 366 H ARG 56 H ARG 56 10.095 -5.139 -5.747 367 HA ARG 56 HA ARG 56 8.091 -6.705 -4.208 368 HB2 ARG 56 2HB ARG 56 10.992 -6.694 -4.557 369 HB3 ARG 56 1HB ARG 56 10.524 -6.782 -2.862 370 HG2 ARG 56 2HG ARG 56 10.417 -9.044 -3.403 371 HG3 ARG 56 1HG ARG 56 8.778 -8.564 -3.840 372 HD2 ARG 56 2HD ARG 56 9.300 -9.501 -5.830 373 HD3 ARG 56 1HD ARG 56 10.064 -7.941 -6.092 374 HE ARG 56 HE ARG 56 12.177 -8.999 -5.939 375 HH11 ARG 56 1HH1 ARG 56 9.840 -11.327 -6.170 376 HH12 ARG 56 2HH1 ARG 56 10.722 -12.579 -5.360 377 HH21 ARG 56 1HH2 ARG 56 13.246 -10.464 -4.271 378 HH22 ARG 56 2HH2 ARG 56 12.649 -12.091 -4.286 379 H CYS 57 H CYS 57 7.079 -5.844 -2.498 380 HA CYS 57 HA CYS 57 7.647 -3.132 -1.623 381 HB2 CYS 57 2HB CYS 57 5.938 -5.114 -0.120 382 HB3 CYS 57 1HB CYS 57 5.795 -3.361 -0.154 383 H THR 58 H THR 58 8.337 -2.521 0.531 384 HA THR 58 HA THR 58 10.500 -4.160 1.541 385 HB THR 58 HB THR 58 10.819 -2.384 3.177 386 HG1 THR 58 1HG THR 58 8.961 -1.661 3.869 387 HG21 THR 58 3HG2 THR 58 10.130 -1.548 0.365 388 HG22 THR 58 1HG2 THR 58 11.723 -1.778 1.084 389 HG23 THR 58 2HG2 THR 58 10.743 -0.384 1.540 390 H GLY 59 H GLY 59 7.182 -4.298 2.025 391 HA2 GLY 59 2HA GLY 59 6.114 -5.931 3.424 392 HA3 GLY 59 1HA GLY 59 7.587 -6.031 4.388 393 H GLN 60 H GLN 60 7.751 -3.045 4.529 394 HA GLN 60 HA GLN 60 5.649 -2.670 6.614 395 HB2 GLN 60 2HB GLN 60 8.379 -1.395 6.266 396 HB3 GLN 60 1HB GLN 60 7.207 -0.884 7.480 397 HG2 GLN 60 2HG GLN 60 7.405 -3.714 7.659 398 HG3 GLN 60 1HG GLN 60 9.051 -3.083 7.595 399 HE21 GLN 60 1HE2 GLN 60 9.786 -2.854 9.711 400 HE22 GLN 60 2HE2 GLN 60 8.883 -2.197 10.989 401 H SER 61 H SER 61 6.393 -1.836 3.473 402 HA SER 61 HA SER 61 5.169 0.878 3.726 403 HB2 SER 61 2HB SER 61 7.212 0.980 2.489 404 HB3 SER 61 1HB SER 61 6.791 -0.444 1.542 405 HG SER 61 HG SER 61 5.769 2.178 1.413 406 H ALA 62 H ALA 62 3.126 1.216 2.960 407 HA ALA 62 HA ALA 62 1.706 -1.094 1.771 408 HB1 ALA 62 1HB ALA 62 0.556 0.019 3.591 409 HB2 ALA 62 2HB ALA 62 -0.318 0.368 2.100 410 HB3 ALA 62 3HB ALA 62 0.744 1.587 2.806 411 H ASP 63 H ASP 63 2.607 2.249 0.999 412 HA ASP 63 HA ASP 63 1.308 2.089 -1.639 413 HB2 ASP 63 2HB ASP 63 2.846 4.187 -0.129 414 HB3 ASP 63 1HB ASP 63 2.643 4.348 -1.874 415 H CYS 64 H CYS 64 2.383 0.564 -2.879 416 HA CYS 64 HA CYS 64 5.164 0.048 -2.886 417 HB2 CYS 64 2HB CYS 64 3.655 -1.483 -3.984 418 HB3 CYS 64 1HB CYS 64 3.107 -0.225 -5.092 419 HA PRO 65 HA PRO 65 6.611 3.738 -4.791 420 HB2 PRO 65 2HB PRO 65 9.238 2.982 -4.722 421 HB3 PRO 65 1HB PRO 65 8.383 3.623 -3.319 422 HG2 PRO 65 2HG PRO 65 9.262 0.845 -3.895 423 HG3 PRO 65 1HG PRO 65 8.903 1.609 -2.336 424 HD2 PRO 65 2HD PRO 65 7.210 -0.157 -3.787 425 HD3 PRO 65 1HD PRO 65 6.776 0.789 -2.347 426 H ARG 66 H ARG 66 8.429 4.061 -6.638 427 HA ARG 66 HA ARG 66 8.252 1.851 -8.624 428 HB2 ARG 66 2HB ARG 66 7.739 3.578 -10.391 429 HB3 ARG 66 1HB ARG 66 6.431 3.320 -9.237 430 HG2 ARG 66 2HG ARG 66 7.701 5.270 -7.928 431 HG3 ARG 66 1HG ARG 66 8.236 5.677 -9.559 432 HD2 ARG 66 2HD ARG 66 6.088 6.161 -10.290 433 HD3 ARG 66 1HD ARG 66 5.334 5.084 -9.116 434 HE ARG 66 HE ARG 66 6.605 7.641 -8.236 435 HH11 ARG 66 1HH2 ARG 66 4.767 5.172 -7.084 436 HH12 ARG 66 2HH2 ARG 66 3.426 6.134 -6.559 437 HH21 ARG 66 1HH1 ARG 66 4.533 9.014 -8.142 438 HH22 ARG 66 2HH1 ARG 66 3.294 8.311 -7.157 439 H TYR 67 H TYR 67 10.281 1.447 -9.335 440 HA TYR 67 HA TYR 67 12.364 3.524 -8.966 441 HB2 TYR 67 2HB TYR 67 12.974 0.803 -10.057 442 HB3 TYR 67 1HB TYR 67 13.915 1.801 -8.949 443 HD1 TYR 67 1HD TYR 67 12.532 2.385 -6.674 444 HD2 TYR 67 2HD TYR 67 11.995 -1.098 -9.132 445 HE1 TYR 67 1HE TYR 67 11.543 1.176 -4.749 446 HE2 TYR 67 2HE TYR 67 11.008 -2.306 -7.205 447 HH TYR 67 HH TYR 67 10.476 -0.672 -4.093 448 H HIS 68 H HIS 68 11.220 1.319 -11.550 449 HA HIS 68 HA HIS 68 12.781 2.511 -13.629 450 HB2 HIS 68 2HB HIS 68 11.637 0.296 -13.808 451 HB3 HIS 68 1HB HIS 68 10.088 1.136 -13.885 452 HD1 HIS 68 1HD HIS 68 13.436 1.614 -15.682 453 HD2 HIS 68 2HD HIS 68 9.361 1.362 -16.530 454 HE1 HIS 68 1HE HIS 68 13.204 1.912 -18.186 Start of MODEL 14 1 H GLY 1 1HT GLY 1 2.095 14.514 8.513 2 HA2 GLY 1 1HA GLY 1 2.911 16.572 6.606 3 HA3 GLY 1 2HA GLY 1 3.105 14.886 6.127 4 H LYS 2 H LYS 2 1.390 15.172 4.547 5 HA LYS 2 HA LYS 2 -1.214 16.118 5.085 6 HB2 LYS 2 2HB LYS 2 -0.566 13.781 3.269 7 HB3 LYS 2 1HB LYS 2 -1.913 14.911 3.124 8 HG2 LYS 2 2HG LYS 2 -0.642 16.318 1.920 9 HG3 LYS 2 1HG LYS 2 0.540 16.401 3.227 10 HD2 LYS 2 2HD LYS 2 1.855 14.707 2.331 11 HD3 LYS 2 1HD LYS 2 0.505 13.980 1.458 12 HE2 LYS 2 2HE LYS 2 1.134 15.104 -0.387 13 HE3 LYS 2 1HE LYS 2 0.802 16.618 0.454 14 HZ1 LYS 2 3HZ LYS 2 3.043 16.712 -0.195 15 HZ2 LYS 2 1HZ LYS 2 3.357 15.128 0.325 16 HZ3 LYS 2 2HZ LYS 2 3.076 16.355 1.467 17 H GLU 3 H GLU 3 -3.063 15.150 5.942 18 HA GLU 3 HA GLU 3 -2.598 12.582 7.395 19 HB2 GLU 3 2HB GLU 3 -4.260 15.012 7.914 20 HB3 GLU 3 1HB GLU 3 -4.872 13.461 8.490 21 HG2 GLU 3 2HG GLU 3 -2.125 13.507 9.147 22 HG3 GLU 3 1HG GLU 3 -2.761 15.091 9.591 23 H CYS 4 H CYS 4 -2.995 11.639 5.114 24 HA CYS 4 HA CYS 4 -5.859 10.916 4.974 25 HB2 CYS 4 2HB CYS 4 -4.385 12.482 2.932 26 HB3 CYS 4 1HB CYS 4 -5.369 11.154 2.319 27 H ASP 5 H ASP 5 -5.262 8.800 5.604 28 HA ASP 5 HA ASP 5 -3.175 7.375 4.107 29 HB2 ASP 5 2HB ASP 5 -4.491 7.053 6.621 30 HB3 ASP 5 1HB ASP 5 -4.788 5.597 5.671 31 H CYS 6 H CYS 6 -6.325 8.188 3.461 32 HA CYS 6 HA CYS 6 -6.541 5.984 1.489 33 HB2 CYS 6 2HB CYS 6 -8.769 6.740 3.404 34 HB3 CYS 6 1HB CYS 6 -8.889 5.566 2.094 35 H SER 7 H SER 7 -7.925 6.563 -0.312 36 HA SER 7 HA SER 7 -8.147 9.500 -0.646 37 HB2 SER 7 2HB SER 7 -7.484 7.354 -2.370 38 HB3 SER 7 1HB SER 7 -9.020 7.997 -2.946 39 HG SER 7 HG SER 7 -8.069 9.822 -3.452 40 H SER 8 H SER 8 -10.080 7.152 0.578 41 HA SER 8 HA SER 8 -12.548 8.424 -0.527 42 HB2 SER 8 2HB SER 8 -12.393 5.674 0.719 43 HB3 SER 8 1HB SER 8 -13.709 6.356 -0.233 44 HG SER 8 HG SER 8 -11.899 6.560 -1.891 45 HA PRO 9 HA PRO 9 -12.966 9.706 3.725 46 HB2 PRO 9 2HB PRO 9 -15.274 11.147 3.336 47 HB3 PRO 9 1HB PRO 9 -13.663 11.752 2.913 48 HG2 PRO 9 2HG PRO 9 -15.824 10.760 1.118 49 HG3 PRO 9 1HG PRO 9 -14.514 11.901 0.772 50 HD2 PRO 9 2HD PRO 9 -14.584 9.168 0.019 51 HD3 PRO 9 1HD PRO 9 -13.165 10.235 -0.043 52 H GLU 10 H GLU 10 -15.148 7.798 1.855 53 HA GLU 10 HA GLU 10 -16.841 7.224 4.239 54 HB2 GLU 10 2HB GLU 10 -17.720 7.756 1.795 55 HB3 GLU 10 1HB GLU 10 -17.376 6.045 1.537 56 HG2 GLU 10 2HG GLU 10 -19.295 5.510 2.577 57 HG3 GLU 10 1HG GLU 10 -18.696 6.275 4.050 58 H ASN 11 H ASN 11 -14.000 6.206 3.384 59 HA ASN 11 HA ASN 11 -14.315 3.363 2.975 60 HB2 ASN 11 2HB ASN 11 -12.248 4.603 2.378 61 HB3 ASN 11 1HB ASN 11 -11.955 4.916 4.089 62 HD21 ASN 11 1HD2 ASN 11 -10.946 2.911 1.672 63 HD22 ASN 11 2HD2 ASN 11 -10.558 1.531 2.580 64 HA PRO 12 HA PRO 12 -15.256 2.292 7.158 65 HB2 PRO 12 2HB PRO 12 -14.807 -0.412 6.919 66 HB3 PRO 12 1HB PRO 12 -16.259 0.399 6.307 67 HG2 PRO 12 2HG PRO 12 -13.910 -0.644 4.792 68 HG3 PRO 12 1HG PRO 12 -15.584 -0.432 4.257 69 HD2 PRO 12 2HD PRO 12 -13.428 1.288 3.644 70 HD3 PRO 12 1HD PRO 12 -15.151 1.663 3.428 71 H CYS 13 H CYS 13 -12.297 0.927 5.690 72 HA CYS 13 HA CYS 13 -11.052 0.482 8.290 73 HB2 CYS 13 2HB CYS 13 -10.471 -0.140 5.510 74 HB3 CYS 13 1HB CYS 13 -9.037 0.470 6.340 75 H CYS 14 H CYS 14 -11.674 3.236 6.556 76 HA CYS 14 HA CYS 14 -9.297 4.597 7.754 77 HB2 CYS 14 2HB CYS 14 -10.762 5.628 5.337 78 HB3 CYS 14 1HB CYS 14 -9.134 6.019 5.890 79 H ASP 15 H ASP 15 -9.724 6.869 8.357 80 HA ASP 15 HA ASP 15 -12.539 7.193 9.290 81 HB2 ASP 15 2HB ASP 15 -10.422 7.181 10.864 82 HB3 ASP 15 1HB ASP 15 -10.247 8.843 10.305 83 H ALA 16 H ALA 16 -13.706 8.955 8.607 84 HA ALA 16 HA ALA 16 -12.658 10.527 6.391 85 HB1 ALA 16 1HB ALA 16 -14.838 11.032 5.993 86 HB2 ALA 16 2HB ALA 16 -15.141 11.460 7.676 87 HB3 ALA 16 3HB ALA 16 -15.176 9.769 7.177 88 H ALA 17 H ALA 17 -13.709 11.303 9.724 89 HA ALA 17 HA ALA 17 -13.204 14.057 9.716 90 HB1 ALA 17 1HB ALA 17 -14.176 12.945 11.661 91 HB2 ALA 17 2HB ALA 17 -12.721 13.812 12.155 92 HB3 ALA 17 3HB ALA 17 -12.674 12.062 11.940 93 H THR 18 H THR 18 -10.887 11.407 10.282 94 HA THR 18 HA THR 18 -8.676 13.402 10.151 95 HB THR 18 HB THR 18 -7.308 11.811 11.247 96 HG1 THR 18 1HG THR 18 -8.187 9.608 11.487 97 HG21 THR 18 3HG2 THR 18 -9.519 12.681 12.464 98 HG22 THR 18 1HG2 THR 18 -8.412 11.559 13.254 99 HG23 THR 18 2HG2 THR 18 -9.882 10.956 12.489 100 H CYS 19 H CYS 19 -10.378 11.370 8.131 101 HA CYS 19 HA CYS 19 -9.922 10.468 6.009 102 HB2 CYS 19 2HB CYS 19 -9.322 12.836 5.584 103 HB3 CYS 19 1HB CYS 19 -7.678 12.509 6.128 104 H LYS 20 H LYS 20 -8.388 9.516 8.535 105 HA LYS 20 HA LYS 20 -6.334 7.983 6.993 106 HB2 LYS 20 2HB LYS 20 -6.040 9.245 9.727 107 HB3 LYS 20 1HB LYS 20 -4.925 8.035 9.091 108 HG2 LYS 20 2HG LYS 20 -4.489 9.510 7.134 109 HG3 LYS 20 1HG LYS 20 -5.541 10.733 7.848 110 HD2 LYS 20 2HD LYS 20 -3.706 11.508 8.910 111 HD3 LYS 20 1HD LYS 20 -3.804 10.063 9.918 112 HE2 LYS 20 2HE LYS 20 -2.218 8.901 8.628 113 HE3 LYS 20 1HE LYS 20 -2.433 9.966 7.238 114 HZ1 LYS 20 3HZ LYS 20 -0.488 10.174 9.138 115 HZ2 LYS 20 1HZ LYS 20 -1.596 11.379 9.578 116 HZ3 LYS 20 2HZ LYS 20 -0.923 11.374 8.018 117 H LEU 21 H LEU 21 -5.681 5.947 8.202 118 HA LEU 21 HA LEU 21 -7.763 4.188 8.597 119 HB2 LEU 21 2HB LEU 21 -5.011 4.283 9.798 120 HB3 LEU 21 1HB LEU 21 -6.132 2.989 10.232 121 HG LEU 21 HG LEU 21 -6.119 3.452 7.364 122 HD11 LEU 21 1HD1 LEU 21 -3.896 3.911 7.167 123 HD12 LEU 21 2HD1 LEU 21 -3.714 2.185 7.462 124 HD13 LEU 21 3HD1 LEU 21 -3.533 3.324 8.791 125 HD21 LEU 21 3HD2 LEU 21 -6.702 1.408 9.045 126 HD22 LEU 21 1HD2 LEU 21 -5.068 0.945 8.569 127 HD23 LEU 21 2HD2 LEU 21 -6.315 1.167 7.342 128 H ARG 22 H ARG 22 -9.366 3.986 10.056 129 HA ARG 22 HA ARG 22 -9.363 5.721 12.428 130 HB2 ARG 22 2HB ARG 22 -11.349 4.844 10.757 131 HB3 ARG 22 1HB ARG 22 -11.548 3.769 12.142 132 HG2 ARG 22 2HG ARG 22 -11.101 6.648 12.742 133 HG3 ARG 22 1HG ARG 22 -12.667 6.214 12.054 134 HD2 ARG 22 2HD ARG 22 -13.293 4.997 13.897 135 HD3 ARG 22 1HD ARG 22 -11.643 4.483 14.248 136 HE ARG 22 HE ARG 22 -11.321 6.931 15.032 137 HH11 ARG 22 1HH2 ARG 22 -14.317 7.409 14.378 138 HH12 ARG 22 2HH2 ARG 22 -14.987 7.367 15.975 139 HH21 ARG 22 1HH1 ARG 22 -12.169 5.934 17.404 140 HH22 ARG 22 2HH1 ARG 22 -13.771 6.532 17.689 141 HA PRO 23 HA PRO 23 -9.479 1.452 14.565 142 HB2 PRO 23 2HB PRO 23 -9.108 -0.773 12.992 143 HB3 PRO 23 1HB PRO 23 -10.697 -0.069 13.339 144 HG2 PRO 23 2HG PRO 23 -9.113 0.035 10.823 145 HG3 PRO 23 1HG PRO 23 -10.862 0.192 11.055 146 HD2 PRO 23 2HD PRO 23 -9.019 2.310 10.617 147 HD3 PRO 23 1HD PRO 23 -10.722 2.478 11.091 148 H GLY 24 H GLY 24 -7.767 -0.739 14.441 149 HA2 GLY 24 2HA GLY 24 -5.142 0.608 14.500 150 HA3 GLY 24 1HA GLY 24 -5.491 -1.005 15.121 151 H ALA 25 H ALA 25 -6.622 -0.206 11.937 152 HA ALA 25 HA ALA 25 -5.052 -2.347 10.772 153 HB1 ALA 25 1HB ALA 25 -7.030 -0.335 9.779 154 HB2 ALA 25 2HB ALA 25 -7.032 -2.091 9.604 155 HB3 ALA 25 3HB ALA 25 -5.974 -1.106 8.595 156 H GLN 26 H GLN 26 -3.226 -2.167 9.419 157 HA GLN 26 HA GLN 26 -1.651 0.285 9.791 158 HB2 GLN 26 2HB GLN 26 -1.080 -2.462 9.333 159 HB3 GLN 26 1HB GLN 26 -0.425 -1.564 7.963 160 HG2 GLN 26 2HG GLN 26 1.348 -1.246 9.369 161 HG3 GLN 26 1HG GLN 26 0.340 0.057 9.999 162 HE21 GLN 26 1HE2 GLN 26 2.261 -2.268 11.170 163 HE22 GLN 26 2HE2 GLN 26 1.403 -2.734 12.557 164 H CYS 27 H CYS 27 -3.927 -0.782 7.545 165 HA CYS 27 HA CYS 27 -3.451 1.464 5.801 166 HB2 CYS 27 2HB CYS 27 -1.737 0.426 4.675 167 HB3 CYS 27 1HB CYS 27 -2.298 -1.191 5.071 168 H GLY 28 H GLY 28 -5.365 1.950 4.831 169 HA2 GLY 28 2HA GLY 28 -7.593 0.041 5.123 170 HA3 GLY 28 1HA GLY 28 -7.736 1.723 4.619 171 H GLU 29 H GLU 29 -5.583 1.520 2.700 172 HA GLU 29 HA GLU 29 -6.511 -0.492 0.753 173 HB2 GLU 29 2HB GLU 29 -7.073 1.116 -0.916 174 HB3 GLU 29 1HB GLU 29 -7.923 1.611 0.539 175 HG2 GLU 29 2HG GLU 29 -6.959 3.631 0.247 176 HG3 GLU 29 1HG GLU 29 -5.467 2.863 0.792 177 H GLY 30 H GLY 30 -4.907 -0.865 -0.904 178 HA2 GLY 30 2HA GLY 30 -2.681 0.616 -1.582 179 HA3 GLY 30 1HA GLY 30 -2.197 -0.157 -0.071 180 H LEU 31 H LEU 31 -0.854 -0.748 -2.434 181 HA LEU 31 HA LEU 31 -1.839 -2.992 -3.887 182 HB2 LEU 31 2HB LEU 31 0.275 -1.434 -4.244 183 HB3 LEU 31 1HB LEU 31 1.089 -2.697 -3.327 184 HG LEU 31 HG LEU 31 1.172 -3.083 -5.785 185 HD11 LEU 31 1HD1 LEU 31 0.628 -5.418 -5.662 186 HD12 LEU 31 2HD1 LEU 31 -0.575 -5.135 -4.405 187 HD13 LEU 31 3HD1 LEU 31 1.140 -4.942 -4.044 188 HD21 LEU 31 3HD2 LEU 31 -1.532 -2.304 -5.621 189 HD22 LEU 31 1HD2 LEU 31 -1.559 -4.015 -6.050 190 HD23 LEU 31 2HD2 LEU 31 -0.679 -2.867 -7.058 191 H CYS 32 H CYS 32 0.393 -2.875 -1.092 192 HA CYS 32 HA CYS 32 -0.074 -5.795 -0.736 193 HB2 CYS 32 2HB CYS 32 2.085 -3.971 0.365 194 HB3 CYS 32 1HB CYS 32 1.950 -5.695 0.719 195 H CYS 33 H CYS 33 -2.268 -4.860 0.099 196 HA CYS 33 HA CYS 33 -1.981 -4.440 3.043 197 HB2 CYS 33 2HB CYS 33 -3.938 -3.155 1.126 198 HB3 CYS 33 1HB CYS 33 -4.140 -3.124 2.874 199 H GLU 34 H GLU 34 -2.428 -6.550 3.673 200 HA GLU 34 HA GLU 34 -4.876 -7.833 2.565 201 HB2 GLU 34 2HB GLU 34 -2.968 -9.282 2.426 202 HB3 GLU 34 1HB GLU 34 -2.495 -8.922 4.088 203 HG2 GLU 34 2HG GLU 34 -4.208 -10.219 4.999 204 HG3 GLU 34 1HG GLU 34 -5.203 -10.104 3.547 205 H GLN 35 H GLN 35 -6.681 -7.736 3.799 206 HA GLN 35 HA GLN 35 -8.055 -7.520 5.683 207 HB2 GLN 35 2HB GLN 35 -6.736 -9.513 6.443 208 HB3 GLN 35 1HB GLN 35 -5.589 -8.412 7.205 209 HG2 GLN 35 2HG GLN 35 -8.145 -7.575 8.063 210 HG3 GLN 35 1HG GLN 35 -8.141 -9.334 8.195 211 HE21 GLN 35 1HE2 GLN 35 -5.552 -9.941 8.926 212 HE22 GLN 35 2HE2 GLN 35 -5.147 -9.185 10.390 213 H CYS 36 H CYS 36 -6.546 -5.257 4.702 214 HA CYS 36 HA CYS 36 -6.081 -3.052 5.338 215 HB2 CYS 36 2HB CYS 36 -7.645 -4.048 7.720 216 HB3 CYS 36 1HB CYS 36 -6.975 -2.416 7.676 217 H LYS 37 H LYS 37 -4.087 -5.105 5.748 218 HA LYS 37 HA LYS 37 -2.544 -3.769 7.919 219 HB2 LYS 37 2HB LYS 37 -3.393 -6.574 7.802 220 HB3 LYS 37 1HB LYS 37 -1.649 -6.390 7.997 221 HG2 LYS 37 2HG LYS 37 -1.855 -5.271 10.029 222 HG3 LYS 37 1HG LYS 37 -3.492 -4.718 9.673 223 HD2 LYS 37 2HD LYS 37 -4.157 -7.207 9.749 224 HD3 LYS 37 1HD LYS 37 -2.592 -7.473 10.518 225 HE2 LYS 37 2HE LYS 37 -4.437 -5.337 11.562 226 HE3 LYS 37 1HE LYS 37 -4.679 -7.021 12.028 227 HZ1 LYS 37 3HZ LYS 37 -2.340 -5.289 12.527 228 HZ2 LYS 37 1HZ LYS 37 -2.204 -6.979 12.579 229 HZ3 LYS 37 2HZ LYS 37 -3.260 -6.179 13.643 230 H PHE 38 H PHE 38 -0.141 -4.348 7.679 231 HA PHE 38 HA PHE 38 0.615 -3.947 4.887 232 HB2 PHE 38 2HB PHE 38 2.115 -4.149 7.492 233 HB3 PHE 38 1HB PHE 38 2.977 -4.163 5.958 234 HD1 PHE 38 2HD PHE 38 0.069 -2.311 5.374 235 HD2 PHE 38 1HD PHE 38 3.859 -2.015 7.381 236 HE1 PHE 38 2HE PHE 38 -0.056 0.155 5.255 237 HE2 PHE 38 1HE PHE 38 3.720 0.456 7.261 238 HZ PHE 38 HZ PHE 38 1.763 1.543 6.200 239 H SER 39 H SER 39 1.046 -5.550 3.469 240 HA SER 39 HA SER 39 0.882 -8.317 4.157 241 HB2 SER 39 2HB SER 39 2.364 -7.262 1.744 242 HB3 SER 39 1HB SER 39 1.434 -8.750 1.890 243 HG SER 39 HG SER 39 0.081 -7.371 0.886 244 H ARG 40 H ARG 40 3.533 -8.691 2.413 245 HA ARG 40 HA ARG 40 5.414 -8.361 4.705 246 HB2 ARG 40 2HB ARG 40 5.106 -10.795 2.918 247 HB3 ARG 40 1HB ARG 40 6.400 -10.572 4.097 248 HG2 ARG 40 2HG ARG 40 5.040 -11.032 5.861 249 HG3 ARG 40 1HG ARG 40 3.686 -10.137 5.171 250 HD2 ARG 40 2HD ARG 40 2.829 -12.259 4.948 251 HD3 ARG 40 1HD ARG 40 3.742 -12.191 3.440 252 HE ARG 40 HE ARG 40 5.566 -13.426 4.632 253 HH11 ARG 40 1HH1 ARG 40 2.434 -14.400 4.866 254 HH12 ARG 40 2HH1 ARG 40 2.614 -15.337 6.311 255 HH21 ARG 40 1HH2 ARG 40 5.802 -14.161 6.995 256 HH22 ARG 40 2HH2 ARG 40 4.519 -15.201 7.516 257 H ALA 41 H ALA 41 7.723 -8.378 3.969 258 HA ALA 41 HA ALA 41 8.048 -6.705 1.632 259 HB1 ALA 41 1HB ALA 41 9.541 -7.036 3.837 260 HB2 ALA 41 2HB ALA 41 10.237 -6.464 2.321 261 HB3 ALA 41 3HB ALA 41 10.390 -8.161 2.776 262 H GLY 42 H GLY 42 9.543 -7.315 -0.183 263 HA2 GLY 42 2HA GLY 42 10.204 -8.779 -1.903 264 HA3 GLY 42 1HA GLY 42 9.985 -10.116 -0.773 265 H LYS 43 H LYS 43 7.329 -7.929 -1.163 266 HA LYS 43 HA LYS 43 5.804 -10.113 -2.484 267 HB2 LYS 43 2HB LYS 43 4.537 -9.302 -0.694 268 HB3 LYS 43 1HB LYS 43 5.051 -7.641 -0.952 269 HG2 LYS 43 2HG LYS 43 2.725 -7.859 -1.657 270 HG3 LYS 43 1HG LYS 43 3.725 -7.608 -3.079 271 HD2 LYS 43 2HD LYS 43 3.151 -9.609 -3.938 272 HD3 LYS 43 1HD LYS 43 3.531 -10.433 -2.426 273 HE2 LYS 43 2HE LYS 43 1.155 -10.719 -2.960 274 HE3 LYS 43 1HE LYS 43 1.332 -9.729 -1.510 275 HZ1 LYS 43 3HZ LYS 43 0.492 -7.945 -2.532 276 HZ2 LYS 43 1HZ LYS 43 -0.126 -9.047 -3.664 277 HZ3 LYS 43 2HZ LYS 43 1.335 -8.238 -3.979 278 H ILE 44 H ILE 44 5.647 -10.071 -4.662 279 HA ILE 44 HA ILE 44 6.526 -7.897 -6.267 280 HB ILE 44 HB ILE 44 5.348 -10.532 -6.682 281 HG12 ILE 44 2HG1 ILE 44 7.671 -9.802 -7.203 282 HG13 ILE 44 1HG1 ILE 44 6.849 -10.490 -8.605 283 HG21 ILE 44 1HG2 ILE 44 3.473 -9.621 -7.774 284 HG22 ILE 44 2HG2 ILE 44 4.616 -9.858 -9.095 285 HG23 ILE 44 3HG2 ILE 44 4.388 -8.252 -8.405 286 HD11 ILE 44 3HD1 ILE 44 7.322 -8.585 -9.714 287 HD12 ILE 44 1HD1 ILE 44 7.906 -7.812 -8.241 288 HD13 ILE 44 2HD1 ILE 44 6.190 -7.761 -8.642 289 H CYS 45 H CYS 45 5.556 -5.945 -5.795 290 HA CYS 45 HA CYS 45 2.631 -5.712 -5.592 291 HB2 CYS 45 2HB CYS 45 3.197 -3.205 -5.569 292 HB3 CYS 45 1HB CYS 45 3.788 -4.160 -4.210 293 H ARG 46 H ARG 46 4.986 -5.706 -8.041 294 HA ARG 46 HA ARG 46 2.962 -5.182 -10.085 295 HB2 ARG 46 2HB ARG 46 4.979 -3.134 -9.315 296 HB3 ARG 46 1HB ARG 46 4.753 -3.399 -11.044 297 HG2 ARG 46 2HG ARG 46 2.157 -3.355 -10.005 298 HG3 ARG 46 1HG ARG 46 2.997 -2.065 -9.145 299 HD2 ARG 46 2HD ARG 46 2.575 -0.814 -10.989 300 HD3 ARG 46 1HD ARG 46 3.894 -1.722 -11.727 301 HE ARG 46 HE ARG 46 2.078 -3.326 -12.535 302 HH11 ARG 46 1HH1 ARG 46 0.084 -1.488 -10.920 303 HH12 ARG 46 2HH1 ARG 46 -0.725 -0.723 -12.248 304 HH21 ARG 46 1HH2 ARG 46 1.625 -1.722 -14.595 305 HH22 ARG 46 2HH2 ARG 46 0.149 -0.857 -14.330 306 H ILE 47 H ILE 47 3.748 -5.784 -12.212 307 HA ILE 47 HA ILE 47 6.268 -7.387 -12.081 308 HB ILE 47 HB ILE 47 4.232 -8.721 -12.522 309 HG12 ILE 47 2HG1 ILE 47 5.003 -9.640 -14.792 310 HG13 ILE 47 1HG1 ILE 47 6.222 -8.365 -14.773 311 HG21 ILE 47 1HG2 ILE 47 3.950 -7.345 -15.177 312 HG22 ILE 47 2HG2 ILE 47 3.179 -6.643 -13.755 313 HG23 ILE 47 3HG2 ILE 47 2.756 -8.275 -14.271 314 HD11 ILE 47 3HD1 ILE 47 5.928 -10.720 -12.923 315 HD12 ILE 47 1HD1 ILE 47 6.771 -9.268 -12.383 316 HD13 ILE 47 2HD1 ILE 47 7.361 -10.161 -13.785 317 H ALA 48 H ALA 48 7.742 -5.813 -12.757 318 HA ALA 48 HA ALA 48 7.248 -3.976 -14.913 319 HB1 ALA 48 1HB ALA 48 9.991 -4.929 -14.096 320 HB2 ALA 48 2HB ALA 48 9.051 -3.853 -13.062 321 HB3 ALA 48 3HB ALA 48 9.512 -3.338 -14.684 322 H ARG 49 H ARG 49 8.024 -4.052 -17.070 323 HA ARG 49 HA ARG 49 8.981 -6.716 -18.017 324 HB2 ARG 49 2HB ARG 49 6.941 -5.020 -19.485 325 HB3 ARG 49 1HB ARG 49 7.473 -6.650 -19.898 326 HG2 ARG 49 2HG ARG 49 6.098 -7.617 -18.371 327 HG3 ARG 49 1HG ARG 49 6.437 -6.386 -17.154 328 HD2 ARG 49 2HD ARG 49 4.438 -5.451 -17.594 329 HD3 ARG 49 1HD ARG 49 5.002 -5.092 -19.226 330 HE ARG 49 HE ARG 49 4.225 -7.746 -19.374 331 HH11 ARG 49 1HH1 ARG 49 2.236 -7.315 -17.268 332 HH12 ARG 49 2HH1 ARG 49 0.872 -6.682 -18.127 333 HH21 ARG 49 1HH2 ARG 49 2.703 -5.843 -20.950 334 HH22 ARG 49 2HH2 ARG 49 1.137 -5.849 -20.212 335 H GLY 50 H GLY 50 10.730 -6.526 -19.358 336 HA2 GLY 50 2HA GLY 50 11.457 -5.026 -21.400 337 HA3 GLY 50 1HA GLY 50 11.520 -3.774 -20.162 338 H ASP 51 H ASP 51 13.234 -3.784 -18.694 339 HA ASP 51 HA ASP 51 15.081 -6.060 -18.579 340 HB2 ASP 51 2HB ASP 51 15.524 -4.021 -20.501 341 HB3 ASP 51 1HB ASP 51 16.707 -3.772 -19.216 342 H TRP 52 H TRP 52 13.540 -4.780 -16.569 343 HA TRP 52 HA TRP 52 15.744 -3.633 -14.915 344 HB2 TRP 52 2HB TRP 52 13.647 -2.360 -13.820 345 HB3 TRP 52 1HB TRP 52 14.575 -1.667 -15.148 346 HD1 TRP 52 HD TRP 52 11.707 -4.275 -15.024 347 HE1 TRP 52 1HE TRP 52 9.937 -3.590 -16.771 348 HE3 TRP 52 3HE TRP 52 13.843 0.003 -16.814 349 HZ2 TRP 52 2HZ TRP 52 9.488 -1.502 -18.674 350 HZ3 TRP 52 3HZ TRP 52 12.724 1.320 -18.592 351 HH2 TRP 52 HH TRP 52 10.551 0.573 -19.523 352 H ASN 53 H ASN 53 14.851 -3.611 -12.482 353 HA ASN 53 HA ASN 53 14.232 -6.406 -11.891 354 HB2 ASN 53 2HB ASN 53 14.479 -4.031 -10.017 355 HB3 ASN 53 1HB ASN 53 14.477 -5.731 -9.545 356 HD21 ASN 53 1HD2 ASN 53 16.578 -3.225 -10.021 357 HD22 ASN 53 2HD2 ASN 53 17.958 -4.089 -10.500 358 H ASP 54 H ASP 54 12.418 -6.949 -10.352 359 HA ASP 54 HA ASP 54 9.943 -5.669 -11.297 360 HB2 ASP 54 2HB ASP 54 10.392 -7.975 -9.376 361 HB3 ASP 54 1HB ASP 54 8.823 -7.458 -9.993 362 H ASP 55 H ASP 55 8.212 -5.460 -9.376 363 HA ASP 55 HA ASP 55 9.483 -3.650 -7.378 364 HB2 ASP 55 2HB ASP 55 6.532 -3.889 -8.004 365 HB3 ASP 55 1HB ASP 55 7.364 -2.559 -7.199 366 H ARG 56 H ARG 56 9.627 -4.369 -5.303 367 HA ARG 56 HA ARG 56 7.754 -6.538 -4.443 368 HB2 ARG 56 2HB ARG 56 10.682 -6.232 -3.724 369 HB3 ARG 56 1HB ARG 56 9.600 -7.487 -3.115 370 HG2 ARG 56 2HG ARG 56 9.310 -7.543 -5.913 371 HG3 ARG 56 1HG ARG 56 11.043 -7.392 -5.623 372 HD2 ARG 56 2HD ARG 56 10.973 -9.312 -4.092 373 HD3 ARG 56 1HD ARG 56 9.232 -9.455 -4.334 374 HE ARG 56 HE ARG 56 10.116 -9.670 -6.886 375 HH11 ARG 56 1HH1 ARG 56 9.338 -12.103 -5.274 376 HH12 ARG 56 2HH1 ARG 56 10.758 -13.084 -5.414 377 HH21 ARG 56 1HH2 ARG 56 12.776 -10.476 -6.491 378 HH22 ARG 56 2HH2 ARG 56 12.706 -12.163 -6.102 379 H CYS 57 H CYS 57 6.456 -5.751 -2.847 380 HA CYS 57 HA CYS 57 6.837 -3.339 -1.435 381 HB2 CYS 57 2HB CYS 57 5.345 -5.868 -0.742 382 HB3 CYS 57 1HB CYS 57 5.382 -4.505 0.370 383 H THR 58 H THR 58 7.675 -2.947 0.714 384 HA THR 58 HA THR 58 9.932 -4.733 1.378 385 HB THR 58 HB THR 58 10.892 -2.927 2.438 386 HG1 THR 58 1HG THR 58 9.829 -1.906 3.920 387 HG21 THR 58 3HG2 THR 58 8.826 -1.408 0.837 388 HG22 THR 58 1HG2 THR 58 10.169 -2.271 0.088 389 HG23 THR 58 2HG2 THR 58 10.487 -0.929 1.187 390 H GLY 59 H GLY 59 6.779 -4.835 2.107 391 HA2 GLY 59 2HA GLY 59 5.792 -6.233 3.780 392 HA3 GLY 59 1HA GLY 59 7.309 -6.185 4.680 393 H GLN 60 H GLN 60 7.581 -3.294 4.600 394 HA GLN 60 HA GLN 60 5.520 -2.622 6.634 395 HB2 GLN 60 2HB GLN 60 8.005 -1.025 5.981 396 HB3 GLN 60 1HB GLN 60 7.045 -0.986 7.461 397 HG2 GLN 60 2HG GLN 60 7.861 -3.683 7.053 398 HG3 GLN 60 1HG GLN 60 9.286 -2.666 6.842 399 HE21 GLN 60 1HE2 GLN 60 9.949 -1.306 8.684 400 HE22 GLN 60 2HE2 GLN 60 9.388 -1.636 10.252 401 H SER 61 H SER 61 5.983 -2.259 3.372 402 HA SER 61 HA SER 61 4.735 0.459 3.343 403 HB2 SER 61 2HB SER 61 6.125 -1.066 1.121 404 HB3 SER 61 1HB SER 61 5.438 0.548 0.973 405 HG SER 61 HG SER 61 7.332 -0.092 2.968 406 H ALA 62 H ALA 62 2.573 0.481 2.975 407 HA ALA 62 HA ALA 62 1.131 -1.908 2.184 408 HB1 ALA 62 1HB ALA 62 -0.355 -0.653 3.369 409 HB2 ALA 62 2HB ALA 62 -0.655 0.145 1.825 410 HB3 ALA 62 3HB ALA 62 0.471 0.856 2.982 411 H ASP 63 H ASP 63 1.710 1.235 0.578 412 HA ASP 63 HA ASP 63 0.655 0.199 -1.960 413 HB2 ASP 63 2HB ASP 63 1.877 2.821 -1.088 414 HB3 ASP 63 1HB ASP 63 1.551 2.479 -2.787 415 H CYS 64 H CYS 64 2.300 1.029 -3.891 416 HA CYS 64 HA CYS 64 4.963 -0.161 -3.266 417 HB2 CYS 64 2HB CYS 64 3.620 -1.858 -4.392 418 HB3 CYS 64 1HB CYS 64 3.220 -0.726 -5.682 419 HA PRO 65 HA PRO 65 6.206 3.604 -5.158 420 HB2 PRO 65 2HB PRO 65 8.880 3.128 -4.826 421 HB3 PRO 65 1HB PRO 65 7.834 3.717 -3.534 422 HG2 PRO 65 2HG PRO 65 9.020 1.019 -3.935 423 HG3 PRO 65 1HG PRO 65 8.481 1.796 -2.436 424 HD2 PRO 65 2HD PRO 65 7.067 -0.175 -3.895 425 HD3 PRO 65 1HD PRO 65 6.420 0.823 -2.577 426 H ARG 66 H ARG 66 7.194 4.223 -7.163 427 HA ARG 66 HA ARG 66 7.482 2.003 -9.094 428 HB2 ARG 66 2HB ARG 66 7.561 5.001 -9.555 429 HB3 ARG 66 1HB ARG 66 7.435 3.754 -10.797 430 HG2 ARG 66 2HG ARG 66 5.200 4.352 -10.530 431 HG3 ARG 66 1HG ARG 66 5.329 2.998 -9.408 432 HD2 ARG 66 2HD ARG 66 5.367 4.388 -7.527 433 HD3 ARG 66 1HD ARG 66 5.904 5.790 -8.452 434 HE ARG 66 HE ARG 66 3.118 4.759 -8.344 435 HH11 ARG 66 1HH1 ARG 66 4.558 6.127 -10.867 436 HH12 ARG 66 2HH1 ARG 66 3.805 7.683 -10.769 437 HH21 ARG 66 1HH2 ARG 66 2.525 7.160 -7.589 438 HH22 ARG 66 2HH2 ARG 66 2.653 8.268 -8.913 439 H TYR 67 H TYR 67 9.356 2.071 -10.628 440 HA TYR 67 HA TYR 67 11.800 3.175 -9.300 441 HB2 TYR 67 2HB TYR 67 11.576 0.559 -10.822 442 HB3 TYR 67 1HB TYR 67 13.026 1.189 -10.040 443 HD1 TYR 67 2HD TYR 67 12.990 1.574 -7.520 444 HD2 TYR 67 1HD TYR 67 9.958 -0.658 -9.587 445 HE1 TYR 67 2HE TYR 67 12.285 0.547 -5.376 446 HE2 TYR 67 1HE TYR 67 9.254 -1.686 -7.443 447 HH TYR 67 HH TYR 67 11.043 -1.088 -4.445 448 H HIS 68 H HIS 68 10.386 2.091 -12.396 449 HA HIS 68 HA HIS 68 12.014 4.208 -13.730 450 HB2 HIS 68 2HB HIS 68 11.925 1.290 -14.299 451 HB3 HIS 68 1HB HIS 68 11.903 2.365 -15.698 452 HD1 HIS 68 1HD HIS 68 14.278 0.580 -13.894 453 HD2 HIS 68 2HD HIS 68 14.063 4.595 -14.996 454 HE1 HIS 68 1HE HIS 68 16.642 1.480 -13.785 Start of MODEL 15 1 H GLY 1 1HT GLY 1 3.606 17.011 4.353 2 HA2 GLY 1 1HA GLY 1 2.630 17.428 7.120 3 HA3 GLY 1 2HA GLY 1 2.495 18.651 5.856 4 H LYS 2 H LYS 2 2.089 15.094 5.794 5 HA LYS 2 HA LYS 2 -0.397 15.473 4.240 6 HB2 LYS 2 2HB LYS 2 1.639 13.527 4.260 7 HB3 LYS 2 1HB LYS 2 0.203 12.718 4.890 8 HG2 LYS 2 2HG LYS 2 -0.309 12.457 2.682 9 HG3 LYS 2 1HG LYS 2 -0.884 14.119 2.825 10 HD2 LYS 2 2HD LYS 2 0.846 14.958 1.606 11 HD3 LYS 2 1HD LYS 2 2.017 13.851 2.326 12 HE2 LYS 2 2HE LYS 2 0.676 12.041 0.929 13 HE3 LYS 2 1HE LYS 2 0.232 13.442 -0.046 14 HZ1 LYS 2 3HZ LYS 2 2.454 13.890 -0.540 15 HZ2 LYS 2 1HZ LYS 2 2.332 12.206 -0.687 16 HZ3 LYS 2 2HZ LYS 2 3.039 12.887 0.700 17 H GLU 3 H GLU 3 -2.097 13.589 4.928 18 HA GLU 3 HA GLU 3 -2.365 13.078 7.755 19 HB2 GLU 3 2HB GLU 3 -4.260 14.582 8.212 20 HB3 GLU 3 1HB GLU 3 -2.823 15.510 7.784 21 HG2 GLU 3 2HG GLU 3 -4.233 14.855 5.374 22 HG3 GLU 3 1HG GLU 3 -5.375 15.561 6.518 23 H CYS 4 H CYS 4 -2.679 11.820 5.058 24 HA CYS 4 HA CYS 4 -5.356 10.647 5.593 25 HB2 CYS 4 2HB CYS 4 -5.681 12.285 3.779 26 HB3 CYS 4 1HB CYS 4 -4.383 11.528 2.856 27 H ASP 5 H ASP 5 -5.431 8.436 5.199 28 HA ASP 5 HA ASP 5 -2.871 7.198 4.274 29 HB2 ASP 5 2HB ASP 5 -3.836 6.917 6.746 30 HB3 ASP 5 1HB ASP 5 -4.821 5.681 5.964 31 H CYS 6 H CYS 6 -6.285 7.450 3.814 32 HA CYS 6 HA CYS 6 -6.116 5.315 1.724 33 HB2 CYS 6 2HB CYS 6 -8.354 4.629 2.206 34 HB3 CYS 6 1HB CYS 6 -7.545 4.746 3.768 35 H SER 7 H SER 7 -6.766 5.964 -0.303 36 HA SER 7 HA SER 7 -7.522 8.791 -0.631 37 HB2 SER 7 2HB SER 7 -7.439 8.077 -3.124 38 HB3 SER 7 1HB SER 7 -5.926 8.109 -2.225 39 HG SER 7 HG SER 7 -7.429 5.762 -2.161 40 H SER 8 H SER 8 -9.355 6.499 0.418 41 HA SER 8 HA SER 8 -11.649 7.248 -1.332 42 HB2 SER 8 2HB SER 8 -11.327 4.477 -0.177 43 HB3 SER 8 1HB SER 8 -12.464 5.013 -1.410 44 HG SER 8 HG SER 8 -10.304 5.623 -2.503 45 HA PRO 9 HA PRO 9 -13.237 8.142 2.738 46 HB2 PRO 9 2HB PRO 9 -15.629 9.173 1.862 47 HB3 PRO 9 1HB PRO 9 -14.108 10.080 1.837 48 HG2 PRO 9 2HG PRO 9 -15.588 8.839 -0.433 49 HG3 PRO 9 1HG PRO 9 -14.477 10.219 -0.439 50 HD2 PRO 9 2HD PRO 9 -13.852 7.580 -1.258 51 HD3 PRO 9 1HD PRO 9 -12.685 8.885 -0.954 52 H GLU 10 H GLU 10 -14.724 6.129 0.307 53 HA GLU 10 HA GLU 10 -16.918 5.185 1.968 54 HB2 GLU 10 2HB GLU 10 -17.260 3.531 0.208 55 HB3 GLU 10 1HB GLU 10 -16.937 5.098 -0.535 56 HG2 GLU 10 2HG GLU 10 -14.401 4.017 -0.199 57 HG3 GLU 10 1HG GLU 10 -15.377 2.625 -0.668 58 H ASN 11 H ASN 11 -13.646 4.765 2.228 59 HA ASN 11 HA ASN 11 -13.756 1.928 3.044 60 HB2 ASN 11 2HB ASN 11 -11.790 2.427 1.833 61 HB3 ASN 11 1HB ASN 11 -11.552 3.953 2.683 62 HD21 ASN 11 1HD2 ASN 11 -9.390 3.325 3.389 63 HD22 ASN 11 2HD2 ASN 11 -9.163 2.154 4.596 64 HA PRO 12 HA PRO 12 -14.472 3.408 7.214 65 HB2 PRO 12 2HB PRO 12 -14.897 0.913 8.281 66 HB3 PRO 12 1HB PRO 12 -16.129 1.816 7.384 67 HG2 PRO 12 2HG PRO 12 -14.525 -0.539 6.512 68 HG3 PRO 12 1HG PRO 12 -16.119 -0.001 5.960 69 HD2 PRO 12 2HD PRO 12 -13.664 0.387 4.595 70 HD3 PRO 12 1HD PRO 12 -15.210 1.176 4.215 71 H CYS 13 H CYS 13 -12.021 1.230 6.087 72 HA CYS 13 HA CYS 13 -10.723 0.745 8.620 73 HB2 CYS 13 2HB CYS 13 -10.167 0.243 5.775 74 HB3 CYS 13 1HB CYS 13 -8.721 0.535 6.743 75 H CYS 14 H CYS 14 -11.116 3.582 6.900 76 HA CYS 14 HA CYS 14 -8.746 4.753 8.270 77 HB2 CYS 14 2HB CYS 14 -8.252 6.138 6.325 78 HB3 CYS 14 1HB CYS 14 -8.220 4.436 5.861 79 H ASP 15 H ASP 15 -9.412 6.321 9.607 80 HA ASP 15 HA ASP 15 -12.033 7.287 9.847 81 HB2 ASP 15 2HB ASP 15 -9.823 7.642 11.313 82 HB3 ASP 15 1HB ASP 15 -9.791 9.171 10.440 83 H ALA 16 H ALA 16 -13.138 8.174 8.151 84 HA ALA 16 HA ALA 16 -11.944 9.596 5.981 85 HB1 ALA 16 1HB ALA 16 -14.052 8.954 5.353 86 HB2 ALA 16 2HB ALA 16 -14.484 10.549 5.968 87 HB3 ALA 16 3HB ALA 16 -14.698 9.124 6.985 88 H ALA 17 H ALA 17 -13.154 10.622 9.118 89 HA ALA 17 HA ALA 17 -13.403 13.391 8.738 90 HB1 ALA 17 1HB ALA 17 -13.531 11.767 10.907 91 HB2 ALA 17 2HB ALA 17 -13.431 13.524 11.026 92 HB3 ALA 17 3HB ALA 17 -11.975 12.545 11.201 93 H THR 18 H THR 18 -10.449 11.562 9.585 94 HA THR 18 HA THR 18 -8.848 13.975 8.891 95 HB THR 18 HB THR 18 -8.204 13.103 11.015 96 HG1 THR 18 1HG THR 18 -6.153 11.853 10.205 97 HG21 THR 18 3HG2 THR 18 -8.705 10.503 9.669 98 HG22 THR 18 1HG2 THR 18 -9.041 10.996 11.329 99 HG23 THR 18 2HG2 THR 18 -7.407 10.526 10.861 100 H CYS 19 H CYS 19 -9.808 10.925 7.676 101 HA CYS 19 HA CYS 19 -9.380 10.031 5.526 102 HB2 CYS 19 2HB CYS 19 -8.636 12.509 5.044 103 HB3 CYS 19 1HB CYS 19 -7.009 11.844 5.181 104 H LYS 20 H LYS 20 -7.777 9.668 8.242 105 HA LYS 20 HA LYS 20 -5.529 8.117 7.014 106 HB2 LYS 20 2HB LYS 20 -5.808 9.110 9.865 107 HB3 LYS 20 1HB LYS 20 -4.426 8.240 9.201 108 HG2 LYS 20 2HG LYS 20 -3.950 10.059 7.657 109 HG3 LYS 20 1HG LYS 20 -5.416 10.909 8.151 110 HD2 LYS 20 2HD LYS 20 -3.653 11.949 9.368 111 HD3 LYS 20 1HD LYS 20 -4.449 10.881 10.524 112 HE2 LYS 20 2HE LYS 20 -2.668 9.130 9.630 113 HE3 LYS 20 1HE LYS 20 -1.776 10.591 9.209 114 HZ1 LYS 20 3HZ LYS 20 -1.106 10.549 11.320 115 HZ2 LYS 20 1HZ LYS 20 -2.310 9.451 11.792 116 HZ3 LYS 20 2HZ LYS 20 -2.661 11.111 11.712 117 H LEU 21 H LEU 21 -4.939 6.380 9.053 118 HA LEU 21 HA LEU 21 -7.062 4.415 8.786 119 HB2 LEU 21 2HB LEU 21 -4.301 4.486 9.789 120 HB3 LEU 21 1HB LEU 21 -5.359 3.398 10.690 121 HG LEU 21 HG LEU 21 -5.653 3.284 7.749 122 HD11 LEU 21 1HD1 LEU 21 -3.046 3.332 8.789 123 HD12 LEU 21 2HD1 LEU 21 -3.536 2.743 7.200 124 HD13 LEU 21 3HD1 LEU 21 -3.413 1.622 8.556 125 HD21 LEU 21 3HD2 LEU 21 -6.788 1.518 8.625 126 HD22 LEU 21 1HD2 LEU 21 -5.879 1.567 10.135 127 HD23 LEU 21 2HD2 LEU 21 -5.203 0.750 8.725 128 H ARG 22 H ARG 22 -8.839 4.357 10.077 129 HA ARG 22 HA ARG 22 -8.836 5.845 12.610 130 HB2 ARG 22 2HB ARG 22 -10.815 6.083 11.264 131 HB3 ARG 22 1HB ARG 22 -11.012 4.340 11.137 132 HG2 ARG 22 2HG ARG 22 -10.847 5.022 13.912 133 HG3 ARG 22 1HG ARG 22 -12.040 6.073 13.151 134 HD2 ARG 22 2HD ARG 22 -12.372 3.415 12.124 135 HD3 ARG 22 1HD ARG 22 -12.342 3.341 13.885 136 HE ARG 22 HE ARG 22 -14.363 4.745 12.246 137 HH11 ARG 22 1HH1 ARG 22 -12.985 5.763 15.013 138 HH12 ARG 22 2HH1 ARG 22 -14.350 5.517 16.051 139 HH21 ARG 22 1HH2 ARG 22 -16.133 3.683 13.711 140 HH22 ARG 22 2HH2 ARG 22 -16.132 4.339 15.315 141 HA PRO 23 HA PRO 23 -9.511 1.418 14.267 142 HB2 PRO 23 2HB PRO 23 -9.001 -0.674 12.560 143 HB3 PRO 23 1HB PRO 23 -10.598 0.072 12.743 144 HG2 PRO 23 2HG PRO 23 -8.661 0.319 10.497 145 HG3 PRO 23 1HG PRO 23 -10.419 0.532 10.490 146 HD2 PRO 23 2HD PRO 23 -8.469 2.600 10.513 147 HD3 PRO 23 1HD PRO 23 -10.216 2.792 10.757 148 H GLY 24 H GLY 24 -7.893 -0.756 14.353 149 HA2 GLY 24 2HA GLY 24 -5.208 0.447 14.642 150 HA3 GLY 24 1HA GLY 24 -5.713 -1.118 15.282 151 H ALA 25 H ALA 25 -6.536 -0.382 12.003 152 HA ALA 25 HA ALA 25 -4.949 -2.626 11.041 153 HB1 ALA 25 1HB ALA 25 -6.710 -2.541 9.616 154 HB2 ALA 25 2HB ALA 25 -5.816 -1.262 8.794 155 HB3 ALA 25 3HB ALA 25 -7.039 -0.850 9.995 156 H GLN 26 H GLN 26 -2.993 -2.537 9.962 157 HA GLN 26 HA GLN 26 -1.408 -0.124 10.201 158 HB2 GLN 26 2HB GLN 26 -0.987 -2.911 9.465 159 HB3 GLN 26 1HB GLN 26 -0.101 -1.819 8.400 160 HG2 GLN 26 2HG GLN 26 1.441 -1.573 10.018 161 HG3 GLN 26 1HG GLN 26 0.212 -0.790 11.012 162 HE21 GLN 26 1HE2 GLN 26 0.762 -1.763 13.039 163 HE22 GLN 26 2HE2 GLN 26 0.650 -3.432 13.320 164 H CYS 27 H CYS 27 -3.769 -1.014 8.002 165 HA CYS 27 HA CYS 27 -3.140 1.179 6.219 166 HB2 CYS 27 2HB CYS 27 -2.741 -0.152 4.195 167 HB3 CYS 27 1HB CYS 27 -1.504 -0.488 5.406 168 H GLY 28 H GLY 28 -4.971 1.754 5.072 169 HA2 GLY 28 2HA GLY 28 -7.371 0.055 5.517 170 HA3 GLY 28 1HA GLY 28 -7.399 1.763 5.083 171 H GLU 29 H GLU 29 -5.426 1.582 3.021 172 HA GLU 29 HA GLU 29 -6.511 -0.356 1.079 173 HB2 GLU 29 2HB GLU 29 -7.222 1.274 -0.492 174 HB3 GLU 29 1HB GLU 29 -7.910 1.787 1.042 175 HG2 GLU 29 2HG GLU 29 -6.941 3.787 0.634 176 HG3 GLU 29 1HG GLU 29 -5.423 2.995 1.057 177 H GLY 30 H GLY 30 -5.182 -0.258 -0.995 178 HA2 GLY 30 2HA GLY 30 -2.966 1.074 -1.684 179 HA3 GLY 30 1HA GLY 30 -2.353 0.224 -0.266 180 H LEU 31 H LEU 31 -0.963 -0.528 -2.294 181 HA LEU 31 HA LEU 31 -2.219 -2.637 -3.897 182 HB2 LEU 31 2HB LEU 31 0.673 -1.770 -3.603 183 HB3 LEU 31 1HB LEU 31 0.107 -2.985 -4.748 184 HG LEU 31 HG LEU 31 -1.605 -0.890 -5.235 185 HD11 LEU 31 1HD1 LEU 31 -0.352 1.144 -5.302 186 HD12 LEU 31 2HD1 LEU 31 1.153 0.306 -4.923 187 HD13 LEU 31 3HD1 LEU 31 -0.097 0.474 -3.690 188 HD21 LEU 31 3HD2 LEU 31 -0.751 -1.138 -7.326 189 HD22 LEU 31 1HD2 LEU 31 0.238 -2.411 -6.610 190 HD23 LEU 31 2HD2 LEU 31 0.890 -0.782 -6.789 191 H CYS 32 H CYS 32 -0.018 -2.432 -1.119 192 HA CYS 32 HA CYS 32 -0.103 -5.409 -0.939 193 HB2 CYS 32 2HB CYS 32 1.961 -3.418 -0.473 194 HB3 CYS 32 1HB CYS 32 1.742 -4.458 0.936 195 H CYS 33 H CYS 33 -2.210 -3.435 0.028 196 HA CYS 33 HA CYS 33 -2.007 -3.852 2.957 197 HB2 CYS 33 2HB CYS 33 -2.752 -1.635 2.177 198 HB3 CYS 33 1HB CYS 33 -4.106 -2.379 1.334 199 H GLU 34 H GLU 34 -2.485 -5.983 3.369 200 HA GLU 34 HA GLU 34 -4.930 -7.140 2.119 201 HB2 GLU 34 2HB GLU 34 -2.732 -8.375 1.929 202 HB3 GLU 34 1HB GLU 34 -2.759 -8.567 3.682 203 HG2 GLU 34 2HG GLU 34 -4.917 -9.746 3.528 204 HG3 GLU 34 1HG GLU 34 -4.902 -9.550 1.776 205 H GLN 35 H GLN 35 -6.715 -7.367 3.387 206 HA GLN 35 HA GLN 35 -8.055 -7.403 5.311 207 HB2 GLN 35 2HB GLN 35 -5.876 -9.098 5.823 208 HB3 GLN 35 1HB GLN 35 -5.995 -8.068 7.250 209 HG2 GLN 35 2HG GLN 35 -8.303 -8.672 7.587 210 HG3 GLN 35 1HG GLN 35 -8.365 -9.510 6.036 211 HE21 GLN 35 1HE2 GLN 35 -9.081 -11.104 8.110 212 HE22 GLN 35 2HE2 GLN 35 -7.832 -12.164 8.556 213 H CYS 36 H CYS 36 -6.629 -4.987 4.528 214 HA CYS 36 HA CYS 36 -6.268 -2.832 5.369 215 HB2 CYS 36 2HB CYS 36 -7.791 -4.129 7.624 216 HB3 CYS 36 1HB CYS 36 -7.152 -2.493 7.793 217 H LYS 37 H LYS 37 -4.374 -5.186 5.842 218 HA LYS 37 HA LYS 37 -2.711 -3.811 7.907 219 HB2 LYS 37 2HB LYS 37 -3.656 -6.600 7.833 220 HB3 LYS 37 1HB LYS 37 -1.917 -6.440 8.083 221 HG2 LYS 37 2HG LYS 37 -2.179 -5.568 10.161 222 HG3 LYS 37 1HG LYS 37 -3.521 -4.539 9.656 223 HD2 LYS 37 2HD LYS 37 -4.964 -5.968 10.619 224 HD3 LYS 37 1HD LYS 37 -4.424 -7.235 9.516 225 HE2 LYS 37 2HE LYS 37 -2.794 -8.025 11.029 226 HE3 LYS 37 1HE LYS 37 -2.837 -6.543 11.984 227 HZ1 LYS 37 3HZ LYS 37 -5.406 -7.466 12.036 228 HZ2 LYS 37 1HZ LYS 37 -4.269 -7.603 13.288 229 HZ3 LYS 37 2HZ LYS 37 -4.471 -8.878 12.181 230 H PHE 38 H PHE 38 -0.341 -4.469 7.659 231 HA PHE 38 HA PHE 38 0.399 -4.196 4.849 232 HB2 PHE 38 2HB PHE 38 2.052 -4.530 7.367 233 HB3 PHE 38 1HB PHE 38 2.745 -4.278 5.765 234 HD1 PHE 38 2HD PHE 38 0.615 -2.374 4.692 235 HD2 PHE 38 1HD PHE 38 2.732 -2.504 8.429 236 HE1 PHE 38 2HE PHE 38 0.307 0.071 4.954 237 HE2 PHE 38 1HE PHE 38 2.426 -0.057 8.686 238 HZ PHE 38 HZ PHE 38 1.213 1.231 6.949 239 H SER 39 H SER 39 0.800 -5.860 3.480 240 HA SER 39 HA SER 39 0.569 -8.602 4.291 241 HB2 SER 39 2HB SER 39 1.977 -7.649 1.788 242 HB3 SER 39 1HB SER 39 1.087 -9.150 2.029 243 HG SER 39 HG SER 39 0.194 -6.643 1.387 244 H ARG 40 H ARG 40 2.964 -9.486 2.665 245 HA ARG 40 HA ARG 40 4.983 -9.093 4.834 246 HB2 ARG 40 2HB ARG 40 5.988 -11.231 3.929 247 HB3 ARG 40 1HB ARG 40 4.383 -11.421 4.636 248 HG2 ARG 40 2HG ARG 40 3.385 -11.273 2.368 249 HG3 ARG 40 1HG ARG 40 5.005 -11.145 1.680 250 HD2 ARG 40 2HD ARG 40 5.253 -13.380 1.746 251 HD3 ARG 40 1HD ARG 40 4.902 -13.396 3.473 252 HE ARG 40 HE ARG 40 2.726 -14.129 2.951 253 HH11 ARG 40 1HH1 ARG 40 3.615 -15.319 0.413 254 HH12 ARG 40 2HH1 ARG 40 2.615 -14.532 -0.762 255 HH21 ARG 40 1HH2 ARG 40 1.689 -11.952 1.361 256 HH22 ARG 40 2HH2 ARG 40 1.525 -12.626 -0.225 257 H ALA 41 H ALA 41 7.285 -9.048 4.064 258 HA ALA 41 HA ALA 41 7.575 -7.156 1.894 259 HB1 ALA 41 1HB ALA 41 9.763 -6.962 2.588 260 HB2 ALA 41 2HB ALA 41 9.940 -8.696 2.855 261 HB3 ALA 41 3HB ALA 41 9.095 -7.703 4.042 262 H GLY 42 H GLY 42 9.178 -7.615 0.069 263 HA2 GLY 42 2HA GLY 42 9.823 -8.915 -1.784 264 HA3 GLY 42 1HA GLY 42 9.498 -10.352 -0.817 265 H LYS 43 H LYS 43 7.050 -7.872 -1.210 266 HA LYS 43 HA LYS 43 5.409 -9.886 -2.672 267 HB2 LYS 43 2HB LYS 43 4.250 -9.025 -0.775 268 HB3 LYS 43 1HB LYS 43 4.686 -7.363 -1.173 269 HG2 LYS 43 2HG LYS 43 2.301 -8.068 -1.784 270 HG3 LYS 43 1HG LYS 43 3.243 -7.328 -3.070 271 HD2 LYS 43 2HD LYS 43 3.286 -9.236 -4.298 272 HD3 LYS 43 1HD LYS 43 3.560 -10.250 -2.881 273 HE2 LYS 43 2HE LYS 43 0.902 -9.046 -3.707 274 HE3 LYS 43 1HE LYS 43 1.363 -10.739 -3.881 275 HZ1 LYS 43 3HZ LYS 43 0.718 -9.225 -1.458 276 HZ2 LYS 43 1HZ LYS 43 1.850 -10.482 -1.337 277 HZ3 LYS 43 2HZ LYS 43 0.277 -10.807 -1.896 278 H ILE 44 H ILE 44 5.420 -9.732 -4.830 279 HA ILE 44 HA ILE 44 6.392 -7.521 -6.327 280 HB ILE 44 HB ILE 44 6.244 -9.778 -7.261 281 HG12 ILE 44 2HG1 ILE 44 5.219 -9.198 -9.438 282 HG13 ILE 44 1HG1 ILE 44 4.442 -7.799 -8.693 283 HG21 ILE 44 1HG2 ILE 44 4.384 -11.009 -6.974 284 HG22 ILE 44 2HG2 ILE 44 3.454 -9.852 -7.927 285 HG23 ILE 44 3HG2 ILE 44 3.613 -9.633 -6.185 286 HD11 ILE 44 3HD1 ILE 44 6.391 -6.603 -8.579 287 HD12 ILE 44 1HD1 ILE 44 6.837 -7.646 -9.929 288 HD13 ILE 44 2HD1 ILE 44 7.377 -8.038 -8.296 289 H CYS 45 H CYS 45 5.196 -5.716 -5.257 290 HA CYS 45 HA CYS 45 2.331 -5.459 -5.498 291 HB2 CYS 45 2HB CYS 45 2.859 -2.971 -5.222 292 HB3 CYS 45 1HB CYS 45 3.368 -4.028 -3.911 293 H ARG 46 H ARG 46 4.889 -5.210 -7.744 294 HA ARG 46 HA ARG 46 3.009 -4.516 -9.878 295 HB2 ARG 46 2HB ARG 46 4.927 -2.534 -8.766 296 HB3 ARG 46 1HB ARG 46 4.824 -2.625 -10.524 297 HG2 ARG 46 2HG ARG 46 2.220 -2.610 -10.057 298 HG3 ARG 46 1HG ARG 46 2.712 -1.852 -8.543 299 HD2 ARG 46 2HD ARG 46 4.238 -0.534 -10.465 300 HD3 ARG 46 1HD ARG 46 2.667 -0.734 -11.241 301 HE ARG 46 HE ARG 46 3.241 1.041 -9.032 302 HH11 ARG 46 1HH2 ARG 46 0.879 -0.822 -10.705 303 HH12 ARG 46 2HH2 ARG 46 -0.467 -0.094 -9.893 304 HH21 ARG 46 1HH1 ARG 46 1.502 1.895 -7.847 305 HH22 ARG 46 2HH1 ARG 46 -0.114 1.444 -8.276 306 H ILE 47 H ILE 47 3.621 -5.701 -11.619 307 HA ILE 47 HA ILE 47 6.357 -6.833 -11.663 308 HB ILE 47 HB ILE 47 4.382 -8.313 -12.038 309 HG12 ILE 47 2HG1 ILE 47 5.307 -8.959 -14.519 310 HG13 ILE 47 1HG1 ILE 47 6.631 -7.950 -13.934 311 HG21 ILE 47 1HG2 ILE 47 3.951 -7.430 -14.791 312 HG22 ILE 47 2HG2 ILE 47 3.498 -6.198 -13.614 313 HG23 ILE 47 3HG2 ILE 47 2.768 -7.802 -13.537 314 HD11 ILE 47 3HD1 ILE 47 5.461 -10.344 -12.484 315 HD12 ILE 47 1HD1 ILE 47 6.772 -9.327 -11.886 316 HD13 ILE 47 2HD1 ILE 47 7.007 -10.309 -13.331 317 H ALA 48 H ALA 48 7.724 -5.244 -12.455 318 HA ALA 48 HA ALA 48 7.025 -3.385 -14.525 319 HB1 ALA 48 1HB ALA 48 9.342 -2.776 -14.536 320 HB2 ALA 48 2HB ALA 48 9.822 -4.340 -13.877 321 HB3 ALA 48 3HB ALA 48 8.950 -3.188 -12.866 322 H ARG 49 H ARG 49 7.746 -3.383 -16.750 323 HA ARG 49 HA ARG 49 8.535 -6.058 -17.814 324 HB2 ARG 49 2HB ARG 49 6.443 -4.258 -19.070 325 HB3 ARG 49 1HB ARG 49 6.918 -5.868 -19.611 326 HG2 ARG 49 2HG ARG 49 5.426 -6.799 -18.212 327 HG3 ARG 49 1HG ARG 49 6.210 -6.018 -16.839 328 HD2 ARG 49 2HD ARG 49 4.425 -4.360 -18.574 329 HD3 ARG 49 1HD ARG 49 3.677 -5.486 -17.442 330 HE ARG 49 HE ARG 49 5.619 -4.063 -15.980 331 HH11 ARG 49 1HH1 ARG 49 3.513 -2.723 -18.232 332 HH12 ARG 49 2HH1 ARG 49 2.712 -1.670 -17.116 333 HH21 ARG 49 1HH2 ARG 49 4.260 -3.024 -14.322 334 HH22 ARG 49 2HH2 ARG 49 3.135 -1.839 -14.900 335 H GLY 50 H GLY 50 10.330 -5.848 -19.052 336 HA2 GLY 50 2HA GLY 50 10.971 -4.427 -21.203 337 HA3 GLY 50 1HA GLY 50 11.085 -3.140 -20.006 338 H ASP 51 H ASP 51 12.866 -3.092 -18.642 339 HA ASP 51 HA ASP 51 14.705 -5.383 -18.515 340 HB2 ASP 51 2HB ASP 51 15.089 -3.457 -20.518 341 HB3 ASP 51 1HB ASP 51 16.238 -3.024 -19.251 342 H TRP 52 H TRP 52 13.207 -4.111 -16.504 343 HA TRP 52 HA TRP 52 15.400 -2.875 -14.898 344 HB2 TRP 52 2HB TRP 52 13.220 -1.693 -13.801 345 HB3 TRP 52 1HB TRP 52 14.171 -0.950 -15.086 346 HD1 TRP 52 HD TRP 52 11.366 -3.630 -15.063 347 HE1 TRP 52 1HE TRP 52 9.652 -3.004 -16.883 348 HE3 TRP 52 3HE TRP 52 13.472 0.681 -16.812 349 HZ2 TRP 52 2HZ TRP 52 9.230 -0.948 -18.827 350 HZ3 TRP 52 3HZ TRP 52 12.393 1.953 -18.646 351 HH2 TRP 52 HH TRP 52 10.277 1.144 -19.655 352 H ASN 53 H ASN 53 14.315 -2.759 -12.451 353 HA ASN 53 HA ASN 53 13.854 -5.604 -11.819 354 HB2 ASN 53 2HB ASN 53 14.356 -3.145 -10.128 355 HB3 ASN 53 1HB ASN 53 13.959 -4.713 -9.424 356 HD21 ASN 53 1HD2 ASN 53 16.235 -3.397 -11.913 357 HD22 ASN 53 2HD2 ASN 53 17.542 -4.367 -11.434 358 H ASP 54 H ASP 54 12.093 -6.126 -10.197 359 HA ASP 54 HA ASP 54 9.588 -4.838 -11.082 360 HB2 ASP 54 2HB ASP 54 9.560 -6.989 -9.021 361 HB3 ASP 54 1HB ASP 54 8.520 -6.766 -10.426 362 H ASP 55 H ASP 55 8.026 -5.225 -8.770 363 HA ASP 55 HA ASP 55 9.302 -3.327 -6.840 364 HB2 ASP 55 2HB ASP 55 6.340 -3.438 -7.429 365 HB3 ASP 55 1HB ASP 55 7.239 -2.167 -6.599 366 H ARG 56 H ARG 56 9.609 -4.370 -4.935 367 HA ARG 56 HA ARG 56 7.620 -6.462 -4.145 368 HB2 ARG 56 2HB ARG 56 10.482 -6.226 -3.195 369 HB3 ARG 56 1HB ARG 56 9.382 -7.583 -2.963 370 HG2 ARG 56 2HG ARG 56 9.841 -6.745 -5.773 371 HG3 ARG 56 1HG ARG 56 11.206 -7.505 -4.954 372 HD2 ARG 56 2HD ARG 56 9.724 -9.395 -4.301 373 HD3 ARG 56 1HD ARG 56 8.411 -8.651 -5.215 374 HE ARG 56 HE ARG 56 9.520 -9.269 -7.240 375 HH11 ARG 56 1HH1 ARG 56 10.538 -11.143 -4.735 376 HH12 ARG 56 2HH1 ARG 56 12.082 -11.557 -5.397 377 HH21 ARG 56 1HH2 ARG 56 11.891 -9.249 -7.978 378 HH22 ARG 56 2HH2 ARG 56 12.849 -10.486 -7.236 379 H CYS 57 H CYS 57 6.378 -5.906 -2.416 380 HA CYS 57 HA CYS 57 6.747 -3.481 -0.946 381 HB2 CYS 57 2HB CYS 57 5.287 -5.912 0.104 382 HB3 CYS 57 1HB CYS 57 4.962 -4.217 0.456 383 H THR 58 H THR 58 7.416 -3.232 1.279 384 HA THR 58 HA THR 58 9.604 -5.077 2.003 385 HB THR 58 HB THR 58 10.457 -3.353 3.305 386 HG1 THR 58 1HG THR 58 7.916 -2.135 3.465 387 HG21 THR 58 3HG2 THR 58 9.527 -2.652 0.797 388 HG22 THR 58 1HG2 THR 58 10.637 -1.697 1.778 389 HG23 THR 58 2HG2 THR 58 8.908 -1.357 1.822 390 H GLY 59 H GLY 59 6.535 -5.514 2.343 391 HA2 GLY 59 2HA GLY 59 5.274 -6.775 3.880 392 HA3 GLY 59 1HA GLY 59 6.748 -6.984 4.828 393 H GLN 60 H GLN 60 6.101 -3.734 4.093 394 HA GLN 60 HA GLN 60 4.525 -3.302 6.570 395 HB2 GLN 60 2HB GLN 60 7.347 -2.437 6.085 396 HB3 GLN 60 1HB GLN 60 6.276 -1.327 6.940 397 HG2 GLN 60 2HG GLN 60 6.400 -4.217 7.760 398 HG3 GLN 60 1HG GLN 60 7.636 -3.089 8.318 399 HE21 GLN 60 1HE2 GLN 60 6.822 -1.119 9.525 400 HE22 GLN 60 2HE2 GLN 60 5.370 -1.238 10.395 401 H SER 61 H SER 61 5.961 -1.957 3.610 402 HA SER 61 HA SER 61 4.202 0.406 3.756 403 HB2 SER 61 2HB SER 61 6.260 0.978 2.803 404 HB3 SER 61 1HB SER 61 6.374 -0.532 1.903 405 HG SER 61 HG SER 61 4.881 0.215 0.472 406 H ALA 62 H ALA 62 2.144 0.322 3.009 407 HA ALA 62 HA ALA 62 1.303 -1.929 1.301 408 HB1 ALA 62 1HB ALA 62 0.014 -0.050 3.117 409 HB2 ALA 62 2HB ALA 62 -0.549 -1.623 2.557 410 HB3 ALA 62 3HB ALA 62 -0.859 -0.182 1.591 411 H ASP 63 H ASP 63 1.943 1.508 1.043 412 HA ASP 63 HA ASP 63 0.728 1.694 -1.628 413 HB2 ASP 63 2HB ASP 63 2.376 3.627 0.027 414 HB3 ASP 63 1HB ASP 63 1.750 4.006 -1.578 415 H CYS 64 H CYS 64 1.919 0.236 -2.922 416 HA CYS 64 HA CYS 64 4.751 -0.015 -2.923 417 HB2 CYS 64 2HB CYS 64 3.227 -1.623 -4.032 418 HB3 CYS 64 1HB CYS 64 2.852 -0.413 -5.254 419 HA PRO 65 HA PRO 65 5.806 3.856 -4.709 420 HB2 PRO 65 2HB PRO 65 8.496 3.355 -4.700 421 HB3 PRO 65 1HB PRO 65 7.602 3.866 -3.269 422 HG2 PRO 65 2HG PRO 65 8.723 1.200 -3.953 423 HG3 PRO 65 1HG PRO 65 8.336 1.880 -2.364 424 HD2 PRO 65 2HD PRO 65 6.778 0.005 -3.811 425 HD3 PRO 65 1HD PRO 65 6.280 0.896 -2.358 426 H ARG 66 H ARG 66 7.544 4.447 -6.551 427 HA ARG 66 HA ARG 66 6.927 2.642 -8.830 428 HB2 ARG 66 2HB ARG 66 6.799 5.383 -8.588 429 HB3 ARG 66 1HB ARG 66 8.356 5.156 -9.385 430 HG2 ARG 66 2HG ARG 66 7.390 4.074 -11.237 431 HG3 ARG 66 1HG ARG 66 5.908 3.695 -10.359 432 HD2 ARG 66 2HD ARG 66 5.040 5.820 -10.629 433 HD3 ARG 66 1HD ARG 66 6.633 6.576 -10.697 434 HE ARG 66 HE ARG 66 6.813 5.572 -13.027 435 HH11 ARG 66 1HH1 ARG 66 4.320 7.472 -12.071 436 HH12 ARG 66 2HH1 ARG 66 3.185 6.958 -13.272 437 HH21 ARG 66 1HH2 ARG 66 5.114 4.283 -14.335 438 HH22 ARG 66 2HH2 ARG 66 3.634 5.155 -14.554 439 H TYR 67 H TYR 67 8.721 2.328 -10.450 440 HA TYR 67 HA TYR 67 11.472 2.699 -9.610 441 HB2 TYR 67 2HB TYR 67 10.067 0.179 -8.964 442 HB3 TYR 67 1HB TYR 67 11.616 -0.026 -9.784 443 HD1 TYR 67 2HD TYR 67 13.199 2.230 -8.829 444 HD2 TYR 67 1HD TYR 67 10.439 -0.273 -6.691 445 HE1 TYR 67 2HE TYR 67 14.390 2.725 -6.712 446 HE2 TYR 67 1HE TYR 67 11.631 0.221 -4.574 447 HH TYR 67 HH TYR 67 14.597 1.325 -4.350 448 H HIS 68 H HIS 68 9.811 3.205 -11.953 449 HA HIS 68 HA HIS 68 10.052 3.086 -14.285 450 HB2 HIS 68 2HB HIS 68 12.481 1.348 -13.935 451 HB3 HIS 68 1HB HIS 68 12.173 2.596 -15.142 452 HD1 HIS 68 1HD HIS 68 14.770 2.761 -13.535 453 HD2 HIS 68 2HD HIS 68 11.238 4.623 -12.339 454 HE1 HIS 68 1HE HIS 68 15.443 4.643 -11.980 Start of MODEL 16 1 H GLY 1 1HT GLY 1 5.667 13.710 10.394 2 HA2 GLY 1 1HA GLY 1 3.852 11.603 10.575 3 HA3 GLY 1 2HA GLY 1 3.653 13.258 11.148 4 H LYS 2 H LYS 2 3.153 11.115 8.378 5 HA LYS 2 HA LYS 2 1.917 13.019 6.645 6 HB2 LYS 2 2HB LYS 2 1.625 10.020 6.923 7 HB3 LYS 2 1HB LYS 2 0.767 10.938 5.685 8 HG2 LYS 2 2HG LYS 2 3.750 11.214 6.033 9 HG3 LYS 2 1HG LYS 2 3.064 9.917 5.054 10 HD2 LYS 2 2HD LYS 2 1.712 11.779 3.876 11 HD3 LYS 2 1HD LYS 2 2.855 12.896 4.624 12 HE2 LYS 2 2HE LYS 2 4.342 12.447 3.000 13 HE3 LYS 2 1HE LYS 2 4.363 10.757 3.500 14 HZ1 LYS 2 3HZ LYS 2 3.702 11.150 1.143 15 HZ2 LYS 2 1HZ LYS 2 2.293 11.904 1.713 16 HZ3 LYS 2 2HZ LYS 2 2.574 10.263 2.054 17 H GLU 3 H GLU 3 -0.592 12.466 6.047 18 HA GLU 3 HA GLU 3 -2.183 12.245 8.542 19 HB2 GLU 3 2HB GLU 3 -3.510 14.310 7.543 20 HB3 GLU 3 1HB GLU 3 -2.091 14.569 8.559 21 HG2 GLU 3 2HG GLU 3 -1.472 14.179 5.705 22 HG3 GLU 3 1HG GLU 3 -2.414 15.629 6.047 23 H CYS 4 H CYS 4 -1.691 10.957 5.712 24 HA CYS 4 HA CYS 4 -4.589 10.469 5.251 25 HB2 CYS 4 2HB CYS 4 -2.718 11.750 3.409 26 HB3 CYS 4 1HB CYS 4 -3.458 10.312 2.709 27 H ASP 5 H ASP 5 -4.513 8.369 6.057 28 HA ASP 5 HA ASP 5 -2.377 6.540 5.171 29 HB2 ASP 5 2HB ASP 5 -3.648 6.659 7.512 30 HB3 ASP 5 1HB ASP 5 -4.778 5.589 6.683 31 H CYS 6 H CYS 6 -5.087 7.704 3.752 32 HA CYS 6 HA CYS 6 -5.345 5.289 2.054 33 HB2 CYS 6 2HB CYS 6 -7.874 5.617 2.104 34 HB3 CYS 6 1HB CYS 6 -7.167 4.950 3.576 35 H SER 7 H SER 7 -6.183 5.811 -0.072 36 HA SER 7 HA SER 7 -5.858 8.700 -0.721 37 HB2 SER 7 2HB SER 7 -4.808 8.008 -2.598 38 HB3 SER 7 1HB SER 7 -4.841 6.385 -1.918 39 HG SER 7 HG SER 7 -5.831 6.729 -4.071 40 H SER 8 H SER 8 -8.189 6.121 -0.636 41 HA SER 8 HA SER 8 -10.111 7.748 -2.219 42 HB2 SER 8 2HB SER 8 -10.075 4.863 -1.334 43 HB3 SER 8 1HB SER 8 -11.546 5.622 -1.937 44 HG SER 8 HG SER 8 -10.680 5.783 -3.890 45 HA PRO 9 HA PRO 9 -11.974 8.975 1.610 46 HB2 PRO 9 2HB PRO 9 -14.149 10.232 0.496 47 HB3 PRO 9 1HB PRO 9 -12.527 10.943 0.543 48 HG2 PRO 9 2HG PRO 9 -13.988 9.757 -1.769 49 HG3 PRO 9 1HG PRO 9 -12.710 10.983 -1.759 50 HD2 PRO 9 2HD PRO 9 -12.380 8.236 -2.381 51 HD3 PRO 9 1HD PRO 9 -11.078 9.405 -2.070 52 H GLU 10 H GLU 10 -13.223 6.699 -0.586 53 HA GLU 10 HA GLU 10 -15.659 6.218 1.059 54 HB2 GLU 10 2HB GLU 10 -14.984 5.871 -1.738 55 HB3 GLU 10 1HB GLU 10 -15.562 4.355 -1.046 56 HG2 GLU 10 2HG GLU 10 -17.651 5.167 -1.304 57 HG3 GLU 10 1HG GLU 10 -17.281 6.279 0.014 58 H ASN 11 H ASN 11 -12.636 5.474 1.521 59 HA ASN 11 HA ASN 11 -12.734 2.555 1.619 60 HB2 ASN 11 2HB ASN 11 -10.641 4.020 1.308 61 HB3 ASN 11 1HB ASN 11 -10.736 4.312 3.045 62 HD21 ASN 11 1HD2 ASN 11 -9.968 1.911 0.596 63 HD22 ASN 11 2HD2 ASN 11 -9.430 0.713 1.670 64 HA PRO 12 HA PRO 12 -14.735 2.606 5.604 65 HB2 PRO 12 2HB PRO 12 -14.831 -0.127 5.881 66 HB3 PRO 12 1HB PRO 12 -15.961 0.794 4.874 67 HG2 PRO 12 2HG PRO 12 -13.684 -0.934 4.035 68 HG3 PRO 12 1HG PRO 12 -15.156 -0.508 3.146 69 HD2 PRO 12 2HD PRO 12 -12.585 0.627 2.757 70 HD3 PRO 12 1HD PRO 12 -14.115 1.244 2.099 71 H CYS 13 H CYS 13 -11.762 0.867 4.855 72 HA CYS 13 HA CYS 13 -11.070 0.243 7.595 73 HB2 CYS 13 2HB CYS 13 -10.196 -0.773 5.340 74 HB3 CYS 13 1HB CYS 13 -9.047 0.564 5.401 75 H CYS 14 H CYS 14 -10.446 2.947 5.412 76 HA CYS 14 HA CYS 14 -8.925 4.275 7.613 77 HB2 CYS 14 2HB CYS 14 -7.547 4.163 5.671 78 HB3 CYS 14 1HB CYS 14 -8.875 4.630 4.613 79 H ASP 15 H ASP 15 -9.814 5.993 8.571 80 HA ASP 15 HA ASP 15 -12.506 6.779 8.115 81 HB2 ASP 15 2HB ASP 15 -10.765 7.179 10.121 82 HB3 ASP 15 1HB ASP 15 -10.613 8.739 9.316 83 H ALA 16 H ALA 16 -13.360 8.134 6.610 84 HA ALA 16 HA ALA 16 -11.691 9.340 4.582 85 HB1 ALA 16 1HB ALA 16 -13.677 9.876 3.506 86 HB2 ALA 16 2HB ALA 16 -14.522 10.219 5.016 87 HB3 ALA 16 3HB ALA 16 -14.223 8.549 4.532 88 H ALA 17 H ALA 17 -13.408 10.578 7.431 89 HA ALA 17 HA ALA 17 -13.040 13.351 6.944 90 HB1 ALA 17 1HB ALA 17 -14.466 12.411 8.764 91 HB2 ALA 17 2HB ALA 17 -13.351 13.646 9.350 92 HB3 ALA 17 3HB ALA 17 -13.005 11.939 9.629 93 H THR 18 H THR 18 -11.041 11.235 9.045 94 HA THR 18 HA THR 18 -8.891 13.234 9.021 95 HB THR 18 HB THR 18 -7.808 11.858 10.625 96 HG1 THR 18 1HG THR 18 -8.223 9.704 10.819 97 HG21 THR 18 3HG2 THR 18 -10.796 11.459 10.939 98 HG22 THR 18 1HG2 THR 18 -9.881 12.870 11.469 99 HG23 THR 18 2HG2 THR 18 -9.607 11.303 12.231 100 H CYS 19 H CYS 19 -9.860 10.715 6.983 101 HA CYS 19 HA CYS 19 -8.796 9.695 5.152 102 HB2 CYS 19 2HB CYS 19 -8.192 12.046 4.631 103 HB3 CYS 19 1HB CYS 19 -6.749 11.886 5.631 104 H LYS 20 H LYS 20 -8.158 8.909 7.972 105 HA LYS 20 HA LYS 20 -5.590 7.512 7.357 106 HB2 LYS 20 2HB LYS 20 -6.313 9.113 9.795 107 HB3 LYS 20 1HB LYS 20 -5.203 7.751 9.940 108 HG2 LYS 20 2HG LYS 20 -4.189 9.028 7.747 109 HG3 LYS 20 1HG LYS 20 -4.796 10.393 8.682 110 HD2 LYS 20 2HD LYS 20 -2.764 10.221 9.716 111 HD3 LYS 20 1HD LYS 20 -3.594 8.980 10.655 112 HE2 LYS 20 2HE LYS 20 -2.418 8.110 8.067 113 HE3 LYS 20 1HE LYS 20 -1.278 8.507 9.354 114 HZ1 LYS 20 3HZ LYS 20 -2.256 6.125 9.171 115 HZ2 LYS 20 1HZ LYS 20 -3.596 6.805 9.956 116 HZ3 LYS 20 2HZ LYS 20 -2.068 6.848 10.698 117 H LEU 21 H LEU 21 -5.302 5.596 8.930 118 HA LEU 21 HA LEU 21 -7.589 3.890 8.774 119 HB2 LEU 21 2HB LEU 21 -4.894 3.750 10.027 120 HB3 LEU 21 1HB LEU 21 -6.120 2.652 10.662 121 HG LEU 21 HG LEU 21 -5.652 2.931 7.694 122 HD11 LEU 21 1HD1 LEU 21 -3.692 1.841 7.853 123 HD12 LEU 21 2HD1 LEU 21 -4.493 0.528 8.715 124 HD13 LEU 21 3HD1 LEU 21 -3.810 1.885 9.612 125 HD21 LEU 21 3HD2 LEU 21 -7.585 1.712 7.923 126 HD22 LEU 21 1HD2 LEU 21 -7.163 1.150 9.540 127 HD23 LEU 21 2HD2 LEU 21 -6.431 0.395 8.124 128 H ARG 22 H ARG 22 -9.387 3.922 10.039 129 HA ARG 22 HA ARG 22 -9.398 5.559 12.459 130 HB2 ARG 22 2HB ARG 22 -11.346 5.587 10.967 131 HB3 ARG 22 1HB ARG 22 -11.602 3.869 11.246 132 HG2 ARG 22 2HG ARG 22 -13.083 5.200 12.685 133 HG3 ARG 22 1HG ARG 22 -11.913 4.309 13.659 134 HD2 ARG 22 2HD ARG 22 -10.753 6.208 14.259 135 HD3 ARG 22 1HD ARG 22 -11.149 7.050 12.760 136 HE ARG 22 HE ARG 22 -13.030 7.937 13.860 137 HH11 ARG 22 1HH1 ARG 22 -11.412 6.588 16.299 138 HH12 ARG 22 2HH1 ARG 22 -12.772 5.995 17.194 139 HH21 ARG 22 1HH2 ARG 22 -15.029 6.503 14.610 140 HH22 ARG 22 2HH2 ARG 22 -14.820 5.945 16.237 141 HA PRO 23 HA PRO 23 -10.029 1.290 14.497 142 HB2 PRO 23 2HB PRO 23 -9.549 -0.939 12.965 143 HB3 PRO 23 1HB PRO 23 -11.143 -0.177 13.104 144 HG2 PRO 23 2HG PRO 23 -9.234 -0.121 10.821 145 HG3 PRO 23 1HG PRO 23 -10.992 0.088 10.818 146 HD2 PRO 23 2HD PRO 23 -9.051 2.156 10.636 147 HD3 PRO 23 1HD PRO 23 -10.795 2.360 10.893 148 H GLY 24 H GLY 24 -8.375 -0.977 14.497 149 HA2 GLY 24 2HA GLY 24 -5.708 0.283 14.787 150 HA3 GLY 24 1HA GLY 24 -6.178 -1.291 15.430 151 H ALA 25 H ALA 25 -7.075 -0.550 12.181 152 HA ALA 25 HA ALA 25 -5.643 -2.806 11.110 153 HB1 ALA 25 1HB ALA 25 -7.436 -2.359 9.755 154 HB2 ALA 25 2HB ALA 25 -6.255 -1.368 8.897 155 HB3 ALA 25 3HB ALA 25 -7.360 -0.623 10.051 156 H GLN 26 H GLN 26 -3.705 -2.867 9.937 157 HA GLN 26 HA GLN 26 -1.784 -0.763 10.484 158 HB2 GLN 26 2HB GLN 26 -1.438 -2.981 8.464 159 HB3 GLN 26 1HB GLN 26 -0.202 -2.192 9.432 160 HG2 GLN 26 2HG GLN 26 -2.125 -3.268 11.233 161 HG3 GLN 26 1HG GLN 26 -1.724 -4.530 10.069 162 HE21 GLN 26 1HE2 GLN 26 -0.118 -2.118 12.213 163 HE22 GLN 26 2HE2 GLN 26 1.253 -3.075 12.507 164 H CYS 27 H CYS 27 -3.762 -1.700 7.740 165 HA CYS 27 HA CYS 27 -3.027 0.837 6.387 166 HB2 CYS 27 2HB CYS 27 -2.779 -0.453 4.232 167 HB3 CYS 27 1HB CYS 27 -1.490 -0.736 5.404 168 H GLY 28 H GLY 28 -4.775 1.697 5.266 169 HA2 GLY 28 2HA GLY 28 -7.285 0.120 5.450 170 HA3 GLY 28 1HA GLY 28 -7.205 1.872 5.267 171 H GLU 29 H GLU 29 -5.202 1.821 3.166 172 HA GLU 29 HA GLU 29 -6.484 0.301 0.975 173 HB2 GLU 29 2HB GLU 29 -7.698 2.474 1.115 174 HB3 GLU 29 1HB GLU 29 -6.165 3.314 0.882 175 HG2 GLU 29 2HG GLU 29 -5.945 1.817 -1.245 176 HG3 GLU 29 1HG GLU 29 -7.684 1.591 -1.062 177 H GLY 30 H GLY 30 -5.044 -0.062 -0.767 178 HA2 GLY 30 2HA GLY 30 -2.753 1.257 -1.517 179 HA3 GLY 30 1HA GLY 30 -2.217 0.316 -0.125 180 H LEU 31 H LEU 31 -0.860 -0.584 -2.056 181 HA LEU 31 HA LEU 31 -2.363 -2.580 -3.656 182 HB2 LEU 31 2HB LEU 31 0.313 -1.286 -3.815 183 HB3 LEU 31 1HB LEU 31 0.203 -2.942 -4.411 184 HG LEU 31 HG LEU 31 -1.967 -1.091 -5.240 185 HD11 LEU 31 1HD1 LEU 31 -0.310 0.472 -5.717 186 HD12 LEU 31 2HD1 LEU 31 -0.320 -0.473 -7.206 187 HD13 LEU 31 3HD1 LEU 31 0.919 -0.764 -5.986 188 HD21 LEU 31 3HD2 LEU 31 -0.551 -3.517 -6.181 189 HD22 LEU 31 1HD2 LEU 31 -1.047 -2.396 -7.450 190 HD23 LEU 31 2HD2 LEU 31 -2.249 -3.070 -6.349 191 H CYS 32 H CYS 32 -0.007 -2.380 -1.042 192 HA CYS 32 HA CYS 32 0.076 -5.359 -0.940 193 HB2 CYS 32 2HB CYS 32 1.801 -3.501 0.693 194 HB3 CYS 32 1HB CYS 32 2.120 -5.172 0.226 195 H CYS 33 H CYS 33 -2.194 -3.664 0.036 196 HA CYS 33 HA CYS 33 -1.959 -4.150 2.963 197 HB2 CYS 33 2HB CYS 33 -2.714 -1.901 2.304 198 HB3 CYS 33 1HB CYS 33 -4.069 -2.606 1.429 199 H GLU 34 H GLU 34 -2.546 -6.202 3.443 200 HA GLU 34 HA GLU 34 -4.980 -7.310 2.103 201 HB2 GLU 34 2HB GLU 34 -2.588 -8.712 3.335 202 HB3 GLU 34 1HB GLU 34 -4.026 -9.545 2.749 203 HG2 GLU 34 2HG GLU 34 -2.641 -7.619 0.920 204 HG3 GLU 34 1HG GLU 34 -1.929 -9.214 1.164 205 H GLN 35 H GLN 35 -6.730 -7.503 3.425 206 HA GLN 35 HA GLN 35 -8.006 -7.675 5.388 207 HB2 GLN 35 2HB GLN 35 -5.840 -9.451 5.701 208 HB3 GLN 35 1HB GLN 35 -5.932 -8.549 7.214 209 HG2 GLN 35 2HG GLN 35 -8.567 -9.337 6.212 210 HG3 GLN 35 1HG GLN 35 -7.521 -10.720 6.534 211 HE21 GLN 35 1HE2 GLN 35 -7.720 -11.445 8.650 212 HE22 GLN 35 2HE2 GLN 35 -8.050 -10.463 9.995 213 H CYS 36 H CYS 36 -6.422 -5.274 4.734 214 HA CYS 36 HA CYS 36 -5.935 -3.205 5.704 215 HB2 CYS 36 2HB CYS 36 -7.595 -4.497 7.865 216 HB3 CYS 36 1HB CYS 36 -6.861 -2.919 8.091 217 H LYS 37 H LYS 37 -4.009 -5.356 5.880 218 HA LYS 37 HA LYS 37 -2.539 -4.451 8.307 219 HB2 LYS 37 2HB LYS 37 -3.144 -7.211 7.368 220 HB3 LYS 37 1HB LYS 37 -1.508 -6.922 7.964 221 HG2 LYS 37 2HG LYS 37 -2.261 -6.992 10.081 222 HG3 LYS 37 1HG LYS 37 -3.336 -5.635 9.745 223 HD2 LYS 37 2HD LYS 37 -4.963 -7.295 8.742 224 HD3 LYS 37 1HD LYS 37 -3.930 -8.580 9.368 225 HE2 LYS 37 2HE LYS 37 -4.472 -8.138 11.568 226 HE3 LYS 37 1HE LYS 37 -4.760 -6.424 11.262 227 HZ1 LYS 37 3HZ LYS 37 -6.523 -8.677 10.466 228 HZ2 LYS 37 1HZ LYS 37 -6.786 -7.053 10.057 229 HZ3 LYS 37 2HZ LYS 37 -6.833 -7.535 11.685 230 H PHE 38 H PHE 38 -0.201 -4.416 7.996 231 HA PHE 38 HA PHE 38 0.537 -3.713 5.261 232 HB2 PHE 38 2HB PHE 38 1.950 -3.774 7.912 233 HB3 PHE 38 1HB PHE 38 2.889 -3.618 6.428 234 HD1 PHE 38 1HD PHE 38 1.543 -1.924 4.664 235 HD2 PHE 38 2HD PHE 38 1.549 -1.733 8.955 236 HE1 PHE 38 1HE PHE 38 0.988 0.491 4.558 237 HE2 PHE 38 2HE PHE 38 0.992 0.681 8.849 238 HZ PHE 38 HZ PHE 38 0.712 1.793 6.650 239 H SER 39 H SER 39 1.095 -5.245 3.776 240 HA SER 39 HA SER 39 1.558 -7.986 4.421 241 HB2 SER 39 2HB SER 39 2.221 -6.309 1.993 242 HB3 SER 39 1HB SER 39 2.659 -8.013 2.083 243 HG SER 39 HG SER 39 0.217 -6.825 1.717 244 H ARG 40 H ARG 40 3.880 -8.931 3.530 245 HA ARG 40 HA ARG 40 5.827 -7.729 5.386 246 HB2 ARG 40 2HB ARG 40 5.341 -10.295 4.893 247 HB3 ARG 40 1HB ARG 40 6.510 -10.036 3.599 248 HG2 ARG 40 2HG ARG 40 7.486 -8.802 6.005 249 HG3 ARG 40 1HG ARG 40 7.051 -10.478 6.347 250 HD2 ARG 40 2HD ARG 40 8.609 -9.841 3.861 251 HD3 ARG 40 1HD ARG 40 9.447 -9.923 5.411 252 HE ARG 40 HE ARG 40 7.781 -12.212 4.452 253 HH11 ARG 40 1HH1 ARG 40 9.190 -12.327 7.104 254 HH12 ARG 40 2HH1 ARG 40 10.643 -13.179 6.700 255 HH21 ARG 40 1HH2 ARG 40 10.314 -12.663 3.288 256 HH22 ARG 40 2HH2 ARG 40 11.280 -13.368 4.541 257 H ALA 41 H ALA 41 8.179 -7.603 4.497 258 HA ALA 41 HA ALA 41 8.149 -5.767 2.234 259 HB1 ALA 41 1HB ALA 41 9.830 -6.178 4.399 260 HB2 ALA 41 2HB ALA 41 10.177 -5.132 3.022 261 HB3 ALA 41 3HB ALA 41 10.776 -6.791 3.042 262 H GLY 42 H GLY 42 9.717 -6.121 0.373 263 HA2 GLY 42 2HA GLY 42 10.479 -7.439 -1.423 264 HA3 GLY 42 1HA GLY 42 10.451 -8.828 -0.335 265 H LYS 43 H LYS 43 7.576 -6.928 -0.568 266 HA LYS 43 HA LYS 43 6.201 -9.228 -1.839 267 HB2 LYS 43 2HB LYS 43 5.058 -8.397 0.078 268 HB3 LYS 43 1HB LYS 43 5.247 -6.728 -0.439 269 HG2 LYS 43 2HG LYS 43 3.064 -7.052 -1.101 270 HG3 LYS 43 1HG LYS 43 3.861 -7.633 -2.553 271 HD2 LYS 43 2HD LYS 43 3.057 -9.708 -2.237 272 HD3 LYS 43 1HD LYS 43 3.719 -9.756 -0.603 273 HE2 LYS 43 2HE LYS 43 1.744 -9.101 0.365 274 HE3 LYS 43 1HE LYS 43 1.288 -8.087 -1.004 275 HZ1 LYS 43 3HZ LYS 43 0.901 -10.170 -2.272 276 HZ2 LYS 43 1HZ LYS 43 -0.153 -9.961 -0.959 277 HZ3 LYS 43 2HZ LYS 43 1.148 -11.046 -0.838 278 H ILE 44 H ILE 44 5.772 -9.225 -3.986 279 HA ILE 44 HA ILE 44 6.466 -7.007 -5.673 280 HB ILE 44 HB ILE 44 5.308 -9.709 -6.017 281 HG12 ILE 44 2HG1 ILE 44 7.689 -9.112 -6.382 282 HG13 ILE 44 1HG1 ILE 44 6.938 -9.734 -7.854 283 HG21 ILE 44 1HG2 ILE 44 4.506 -7.395 -7.753 284 HG22 ILE 44 2HG2 ILE 44 3.572 -8.817 -7.287 285 HG23 ILE 44 3HG2 ILE 44 4.833 -8.954 -8.512 286 HD11 ILE 44 3HD1 ILE 44 8.097 -7.119 -7.359 287 HD12 ILE 44 1HD1 ILE 44 6.420 -6.977 -7.887 288 HD13 ILE 44 2HD1 ILE 44 7.590 -7.839 -8.886 289 H CYS 45 H CYS 45 5.367 -5.147 -5.732 290 HA CYS 45 HA CYS 45 2.425 -5.198 -5.262 291 HB2 CYS 45 2HB CYS 45 3.307 -2.515 -5.560 292 HB3 CYS 45 1HB CYS 45 2.760 -3.298 -4.085 293 H ARG 46 H ARG 46 4.708 -5.132 -7.708 294 HA ARG 46 HA ARG 46 2.659 -4.553 -9.706 295 HB2 ARG 46 2HB ARG 46 4.140 -2.391 -8.824 296 HB3 ARG 46 1HB ARG 46 5.043 -2.923 -10.243 297 HG2 ARG 46 2HG ARG 46 3.509 -1.600 -11.321 298 HG3 ARG 46 1HG ARG 46 2.550 -3.078 -11.247 299 HD2 ARG 46 2HD ARG 46 1.008 -1.719 -10.254 300 HD3 ARG 46 1HD ARG 46 1.984 -2.004 -8.813 301 HE ARG 46 HE ARG 46 2.853 0.274 -10.451 302 HH11 ARG 46 1HH1 ARG 46 0.048 0.835 -9.528 303 HH12 ARG 46 2HH1 ARG 46 0.321 1.598 -7.997 304 HH21 ARG 46 1HH2 ARG 46 3.605 0.513 -7.743 305 HH22 ARG 46 2HH2 ARG 46 2.335 1.416 -6.988 306 H ILE 47 H ILE 47 3.912 -4.598 -11.990 307 HA ILE 47 HA ILE 47 6.052 -6.675 -11.794 308 HB ILE 47 HB ILE 47 3.801 -7.651 -12.386 309 HG12 ILE 47 2HG1 ILE 47 5.565 -7.871 -14.804 310 HG13 ILE 47 1HG1 ILE 47 6.195 -8.396 -13.241 311 HG21 ILE 47 1HG2 ILE 47 3.628 -5.387 -13.995 312 HG22 ILE 47 2HG2 ILE 47 2.545 -6.777 -14.052 313 HG23 ILE 47 3HG2 ILE 47 3.926 -6.691 -15.145 314 HD11 ILE 47 3HD1 ILE 47 3.570 -9.433 -13.420 315 HD12 ILE 47 1HD1 ILE 47 5.083 -10.335 -13.498 316 HD13 ILE 47 2HD1 ILE 47 4.330 -9.746 -14.980 317 H ALA 48 H ALA 48 7.777 -6.317 -13.153 318 HA ALA 48 HA ALA 48 7.754 -3.818 -14.716 319 HB1 ALA 48 1HB ALA 48 9.826 -5.717 -13.720 320 HB2 ALA 48 2HB ALA 48 9.823 -3.954 -13.713 321 HB3 ALA 48 3HB ALA 48 10.202 -4.829 -15.197 322 H ARG 49 H ARG 49 6.837 -3.987 -16.715 323 HA ARG 49 HA ARG 49 6.704 -6.475 -18.180 324 HB2 ARG 49 2HB ARG 49 6.096 -4.822 -20.114 325 HB3 ARG 49 1HB ARG 49 4.989 -4.976 -18.751 326 HG2 ARG 49 2HG ARG 49 7.091 -2.985 -18.295 327 HG3 ARG 49 1HG ARG 49 6.061 -2.600 -19.675 328 HD2 ARG 49 2HD ARG 49 4.626 -3.572 -17.279 329 HD3 ARG 49 1HD ARG 49 5.416 -2.006 -17.092 330 HE ARG 49 HE ARG 49 3.717 -1.121 -18.447 331 HH11 ARG 49 1HH1 ARG 49 2.365 -3.917 -18.069 332 HH12 ARG 49 2HH1 ARG 49 1.926 -4.252 -19.710 333 HH21 ARG 49 1HH2 ARG 49 3.957 -1.777 -21.039 334 HH22 ARG 49 2HH2 ARG 49 2.827 -3.041 -21.391 335 H GLY 50 H GLY 50 8.923 -7.150 -18.263 336 HA2 GLY 50 2HA GLY 50 10.448 -7.165 -20.375 337 HA3 GLY 50 1HA GLY 50 10.710 -5.474 -19.964 338 H ASP 51 H ASP 51 11.755 -5.011 -17.925 339 HA ASP 51 HA ASP 51 12.692 -6.779 -15.999 340 HB2 ASP 51 2HB ASP 51 13.979 -7.236 -18.546 341 HB3 ASP 51 1HB ASP 51 15.167 -6.710 -17.353 342 H TRP 52 H TRP 52 12.300 -4.596 -15.083 343 HA TRP 52 HA TRP 52 14.751 -2.903 -15.305 344 HB2 TRP 52 2HB TRP 52 12.340 -1.452 -14.482 345 HB3 TRP 52 1HB TRP 52 13.560 -1.017 -15.674 346 HD1 TRP 52 HD TRP 52 10.194 -2.718 -15.309 347 HE1 TRP 52 1HE TRP 52 9.216 -3.167 -17.652 348 HE3 TRP 52 3HE TRP 52 14.234 -1.530 -18.184 349 HZ2 TRP 52 2HZ TRP 52 10.045 -3.042 -20.388 350 HZ3 TRP 52 3HZ TRP 52 14.118 -1.705 -20.655 351 HH2 TRP 52 HH TRP 52 12.031 -2.461 -21.758 352 H ASN 53 H ASN 53 11.905 -2.703 -13.210 353 HA ASN 53 HA ASN 53 13.525 -3.582 -10.896 354 HB2 ASN 53 2HB ASN 53 13.238 -0.857 -11.487 355 HB3 ASN 53 1HB ASN 53 12.057 -1.167 -10.214 356 HD21 ASN 53 1HD2 ASN 53 14.893 0.152 -10.248 357 HD22 ASN 53 2HD2 ASN 53 15.684 -0.603 -8.950 358 H ASP 54 H ASP 54 12.232 -5.055 -9.912 359 HA ASP 54 HA ASP 54 9.349 -5.065 -10.327 360 HB2 ASP 54 2HB ASP 54 10.703 -6.685 -8.189 361 HB3 ASP 54 1HB ASP 54 9.361 -7.132 -9.242 362 H ASP 55 H ASP 55 7.803 -4.216 -8.988 363 HA ASP 55 HA ASP 55 8.624 -2.417 -6.865 364 HB2 ASP 55 2HB ASP 55 6.008 -3.302 -8.036 365 HB3 ASP 55 1HB ASP 55 6.012 -2.457 -6.487 366 H ARG 56 H ARG 56 9.413 -3.331 -5.016 367 HA ARG 56 HA ARG 56 7.977 -5.694 -3.880 368 HB2 ARG 56 2HB ARG 56 10.715 -4.571 -3.210 369 HB3 ARG 56 1HB ARG 56 10.007 -6.036 -2.533 370 HG2 ARG 56 2HG ARG 56 10.018 -5.924 -5.483 371 HG3 ARG 56 1HG ARG 56 11.616 -5.998 -4.742 372 HD2 ARG 56 2HD ARG 56 10.745 -7.936 -3.340 373 HD3 ARG 56 1HD ARG 56 9.327 -7.945 -4.389 374 HE ARG 56 HE ARG 56 10.676 -9.180 -5.864 375 HH11 ARG 56 1HH2 ARG 56 12.822 -8.063 -3.589 376 HH12 ARG 56 2HH2 ARG 56 14.163 -7.866 -4.667 377 HH21 ARG 56 1HH1 ARG 56 12.279 -8.390 -7.532 378 HH22 ARG 56 2HH1 ARG 56 13.857 -8.052 -6.899 379 H CYS 57 H CYS 57 6.558 -5.197 -2.292 380 HA CYS 57 HA CYS 57 6.309 -2.619 -1.113 381 HB2 CYS 57 2HB CYS 57 5.452 -5.116 0.338 382 HB3 CYS 57 1HB CYS 57 4.660 -3.548 0.288 383 H THR 58 H THR 58 7.095 -1.786 0.839 384 HA THR 58 HA THR 58 9.614 -2.873 1.774 385 HB THR 58 HB THR 58 9.441 -1.000 3.462 386 HG1 THR 58 1HG THR 58 7.659 0.170 3.539 387 HG21 THR 58 3HG2 THR 58 10.108 -0.914 0.845 388 HG22 THR 58 1HG2 THR 58 10.175 0.499 1.896 389 HG23 THR 58 2HG2 THR 58 8.778 0.244 0.850 390 H GLY 59 H GLY 59 6.413 -3.634 2.481 391 HA2 GLY 59 2HA GLY 59 5.786 -5.394 3.995 392 HA3 GLY 59 1HA GLY 59 7.285 -5.126 4.886 393 H GLN 60 H GLN 60 6.612 -2.114 4.683 394 HA GLN 60 HA GLN 60 4.576 -2.099 6.876 395 HB2 GLN 60 2HB GLN 60 5.774 -0.214 7.871 396 HB3 GLN 60 1HB GLN 60 6.884 -1.570 7.667 397 HG2 GLN 60 2HG GLN 60 8.105 -0.505 6.054 398 HG3 GLN 60 1HG GLN 60 6.691 0.296 5.369 399 HE21 GLN 60 1HE2 GLN 60 8.690 2.041 5.583 400 HE22 GLN 60 2HE2 GLN 60 8.571 3.024 6.961 401 H SER 61 H SER 61 5.348 -1.058 3.751 402 HA SER 61 HA SER 61 3.580 1.332 3.966 403 HB2 SER 61 2HB SER 61 5.630 1.829 2.824 404 HB3 SER 61 1HB SER 61 5.499 0.384 1.825 405 HG SER 61 HG SER 61 4.530 2.822 1.370 406 H ALA 62 H ALA 62 1.669 1.467 2.742 407 HA ALA 62 HA ALA 62 0.725 -1.134 1.629 408 HB1 ALA 62 1HB ALA 62 -0.477 0.634 3.417 409 HB2 ALA 62 2HB ALA 62 -1.289 -0.669 2.548 410 HB3 ALA 62 3HB ALA 62 -1.288 0.966 1.887 411 H ASP 63 H ASP 63 1.248 2.260 0.865 412 HA ASP 63 HA ASP 63 0.084 1.891 -1.836 413 HB2 ASP 63 2HB ASP 63 1.453 4.385 -0.827 414 HB3 ASP 63 1HB ASP 63 0.205 4.241 -2.066 415 H CYS 64 H CYS 64 1.704 0.369 -2.594 416 HA CYS 64 HA CYS 64 4.515 0.910 -2.567 417 HB2 CYS 64 2HB CYS 64 2.788 -1.103 -3.617 418 HB3 CYS 64 1HB CYS 64 3.838 -0.550 -4.922 419 HA PRO 65 HA PRO 65 4.965 3.948 -5.605 420 HB2 PRO 65 2HB PRO 65 7.587 3.446 -6.189 421 HB3 PRO 65 1HB PRO 65 7.066 4.260 -4.716 422 HG2 PRO 65 2HG PRO 65 8.119 1.507 -5.089 423 HG3 PRO 65 1HG PRO 65 8.109 2.516 -3.632 424 HD2 PRO 65 2HD PRO 65 6.336 0.375 -4.220 425 HD3 PRO 65 1HD PRO 65 6.188 1.539 -2.889 426 H ARG 66 H ARG 66 6.176 4.087 -7.915 427 HA ARG 66 HA ARG 66 5.901 1.566 -9.444 428 HB2 ARG 66 2HB ARG 66 4.496 2.814 -11.164 429 HB3 ARG 66 1HB ARG 66 3.670 2.424 -9.655 430 HG2 ARG 66 2HG ARG 66 3.194 4.612 -9.429 431 HG3 ARG 66 1HG ARG 66 4.918 4.904 -9.202 432 HD2 ARG 66 2HD ARG 66 4.607 6.243 -11.042 433 HD3 ARG 66 1HD ARG 66 4.875 4.718 -11.887 434 HE ARG 66 HE ARG 66 2.274 4.537 -11.778 435 HH11 ARG 66 1HH2 ARG 66 3.746 6.441 -13.801 436 HH12 ARG 66 2HH2 ARG 66 2.660 7.790 -13.761 437 HH21 ARG 66 1HH1 ARG 66 1.007 6.718 -10.908 438 HH22 ARG 66 2HH1 ARG 66 1.110 7.947 -12.125 439 H TYR 67 H TYR 67 7.517 1.471 -10.951 440 HA TYR 67 HA TYR 67 8.536 3.940 -12.187 441 HB2 TYR 67 2HB TYR 67 10.945 2.932 -11.506 442 HB3 TYR 67 1HB TYR 67 10.111 4.139 -10.529 443 HD1 TYR 67 2HD TYR 67 9.713 0.432 -11.010 444 HD2 TYR 67 1HD TYR 67 10.298 3.677 -8.255 445 HE1 TYR 67 2HE TYR 67 9.621 -1.162 -9.112 446 HE2 TYR 67 1HE TYR 67 10.208 2.081 -6.358 447 HH TYR 67 HH TYR 67 10.264 -0.110 -5.796 448 H HIS 68 H HIS 68 7.553 2.661 -13.983 449 HA HIS 68 HA HIS 68 7.894 1.406 -15.940 450 HB2 HIS 68 2HB HIS 68 10.665 0.811 -14.882 451 HB3 HIS 68 1HB HIS 68 10.127 0.825 -16.563 452 HD1 HIS 68 1HD HIS 68 12.161 2.792 -14.589 453 HD2 HIS 68 2HD HIS 68 8.796 3.733 -16.863 454 HE1 HIS 68 1HE HIS 68 12.278 5.281 -15.047 Start of MODEL 17 1 H GLY 1 1HT GLY 1 2.989 16.783 4.783 2 HA2 GLY 1 1HA GLY 1 3.269 15.047 6.453 3 HA3 GLY 1 2HA GLY 1 3.065 16.269 7.708 4 H LYS 2 H LYS 2 1.410 15.006 4.796 5 HA LYS 2 HA LYS 2 -1.152 16.100 5.410 6 HB2 LYS 2 2HB LYS 2 -0.048 14.443 3.406 7 HB3 LYS 2 1HB LYS 2 -1.382 13.528 4.109 8 HG2 LYS 2 2HG LYS 2 -2.619 14.760 2.628 9 HG3 LYS 2 1HG LYS 2 -2.556 15.955 3.923 10 HD2 LYS 2 2HD LYS 2 -1.329 17.362 2.662 11 HD3 LYS 2 1HD LYS 2 -0.169 16.090 2.278 12 HE2 LYS 2 2HE LYS 2 -2.403 15.374 0.797 13 HE3 LYS 2 1HE LYS 2 -2.384 17.133 0.671 14 HZ1 LYS 2 3HZ LYS 2 -0.065 15.360 0.125 15 HZ2 LYS 2 1HZ LYS 2 -0.103 17.045 -0.058 16 HZ3 LYS 2 2HZ LYS 2 -1.057 16.061 -1.062 17 H GLU 3 H GLU 3 -3.043 14.939 6.260 18 HA GLU 3 HA GLU 3 -2.282 12.783 8.193 19 HB2 GLU 3 2HB GLU 3 -3.662 15.334 8.594 20 HB3 GLU 3 1HB GLU 3 -4.581 13.960 9.210 21 HG2 GLU 3 2HG GLU 3 -2.865 13.314 10.686 22 HG3 GLU 3 1HG GLU 3 -1.641 14.231 9.808 23 H CYS 4 H CYS 4 -3.101 12.137 5.605 24 HA CYS 4 HA CYS 4 -5.780 10.971 6.181 25 HB2 CYS 4 2HB CYS 4 -5.990 12.886 4.581 26 HB3 CYS 4 1HB CYS 4 -4.917 12.027 3.475 27 H ASP 5 H ASP 5 -5.957 8.809 5.626 28 HA ASP 5 HA ASP 5 -3.561 7.579 4.321 29 HB2 ASP 5 2HB ASP 5 -3.734 6.854 6.631 30 HB3 ASP 5 1HB ASP 5 -5.442 6.465 6.425 31 H CYS 6 H CYS 6 -6.864 8.230 3.983 32 HA CYS 6 HA CYS 6 -7.007 6.331 1.703 33 HB2 CYS 6 2HB CYS 6 -8.971 6.495 3.996 34 HB3 CYS 6 1HB CYS 6 -9.420 5.835 2.423 35 H SER 7 H SER 7 -8.105 7.210 -0.045 36 HA SER 7 HA SER 7 -8.958 10.030 0.246 37 HB2 SER 7 2HB SER 7 -7.468 9.447 -1.628 38 HB3 SER 7 1HB SER 7 -8.652 8.284 -2.218 39 HG SER 7 HG SER 7 -8.517 10.894 -2.686 40 H SER 8 H SER 8 -10.620 7.895 1.378 41 HA SER 8 HA SER 8 -13.090 8.448 -0.191 42 HB2 SER 8 2HB SER 8 -11.953 6.016 -0.332 43 HB3 SER 8 1HB SER 8 -12.875 5.800 1.153 44 HG SER 8 HG SER 8 -13.773 5.630 -1.279 45 HA PRO 9 HA PRO 9 -14.297 9.568 3.953 46 HB2 PRO 9 2HB PRO 9 -16.800 10.472 3.259 47 HB3 PRO 9 1HB PRO 9 -15.320 11.420 3.029 48 HG2 PRO 9 2HG PRO 9 -16.971 9.998 0.996 49 HG3 PRO 9 1HG PRO 9 -15.909 11.401 0.796 50 HD2 PRO 9 2HD PRO 9 -15.288 8.729 0.084 51 HD3 PRO 9 1HD PRO 9 -14.138 10.081 0.185 52 H GLU 10 H GLU 10 -15.573 7.134 1.959 53 HA GLU 10 HA GLU 10 -17.445 6.217 4.099 54 HB2 GLU 10 2HB GLU 10 -18.079 4.592 2.072 55 HB3 GLU 10 1HB GLU 10 -18.776 6.206 2.209 56 HG2 GLU 10 2HG GLU 10 -17.213 7.115 0.636 57 HG3 GLU 10 1HG GLU 10 -16.227 5.651 0.673 58 H ASN 11 H ASN 11 -14.400 5.903 3.770 59 HA ASN 11 HA ASN 11 -14.099 3.005 3.406 60 HB2 ASN 11 2HB ASN 11 -12.344 4.651 2.688 61 HB3 ASN 11 1HB ASN 11 -12.063 5.024 4.389 62 HD21 ASN 11 1HD2 ASN 11 -10.109 3.780 2.550 63 HD22 ASN 11 2HD2 ASN 11 -9.745 2.253 3.197 64 HA PRO 12 HA PRO 12 -14.907 2.369 7.752 65 HB2 PRO 12 2HB PRO 12 -14.681 -0.369 7.651 66 HB3 PRO 12 1HB PRO 12 -16.129 0.512 7.130 67 HG2 PRO 12 2HG PRO 12 -14.031 -0.803 5.466 68 HG3 PRO 12 1HG PRO 12 -15.732 -0.488 5.085 69 HD2 PRO 12 2HD PRO 12 -13.519 1.014 4.158 70 HD3 PRO 12 1HD PRO 12 -15.227 1.501 4.065 71 H CYS 13 H CYS 13 -12.070 1.508 5.970 72 HA CYS 13 HA CYS 13 -10.609 0.718 8.432 73 HB2 CYS 13 2HB CYS 13 -10.292 0.249 5.540 74 HB3 CYS 13 1HB CYS 13 -8.781 0.603 6.379 75 H CYS 14 H CYS 14 -11.442 3.545 7.060 76 HA CYS 14 HA CYS 14 -8.977 4.859 8.055 77 HB2 CYS 14 2HB CYS 14 -10.125 5.135 5.280 78 HB3 CYS 14 1HB CYS 14 -9.136 6.407 5.998 79 H ASP 15 H ASP 15 -9.786 6.147 9.638 80 HA ASP 15 HA ASP 15 -12.433 7.054 9.913 81 HB2 ASP 15 2HB ASP 15 -10.291 7.265 11.490 82 HB3 ASP 15 1HB ASP 15 -10.211 8.872 10.767 83 H ALA 16 H ALA 16 -13.577 8.320 8.540 84 HA ALA 16 HA ALA 16 -12.369 9.845 6.423 85 HB1 ALA 16 1HB ALA 16 -14.835 8.902 6.753 86 HB2 ALA 16 2HB ALA 16 -14.539 10.336 5.769 87 HB3 ALA 16 3HB ALA 16 -15.111 10.509 7.427 88 H ALA 17 H ALA 17 -13.785 10.774 9.563 89 HA ALA 17 HA ALA 17 -13.608 13.558 9.379 90 HB1 ALA 17 1HB ALA 17 -14.324 11.964 11.368 91 HB2 ALA 17 2HB ALA 17 -13.745 13.597 11.703 92 HB3 ALA 17 3HB ALA 17 -12.658 12.220 11.890 93 H THR 18 H THR 18 -11.051 11.441 10.738 94 HA THR 18 HA THR 18 -9.079 13.592 10.459 95 HB THR 18 HB THR 18 -7.513 11.993 11.430 96 HG1 THR 18 1HG THR 18 -7.832 10.013 10.837 97 HG21 THR 18 3HG2 THR 18 -8.930 11.285 13.461 98 HG22 THR 18 1HG2 THR 18 -10.280 12.061 12.632 99 HG23 THR 18 2HG2 THR 18 -8.864 13.008 13.091 100 H CYS 19 H CYS 19 -10.295 11.029 8.527 101 HA CYS 19 HA CYS 19 -9.775 10.491 6.290 102 HB2 CYS 19 2HB CYS 19 -8.884 13.021 6.451 103 HB3 CYS 19 1HB CYS 19 -7.332 12.202 6.284 104 H LYS 20 H LYS 20 -8.147 9.679 8.957 105 HA LYS 20 HA LYS 20 -6.055 8.177 7.420 106 HB2 LYS 20 2HB LYS 20 -5.976 9.286 10.234 107 HB3 LYS 20 1HB LYS 20 -4.811 8.106 9.633 108 HG2 LYS 20 2HG LYS 20 -5.063 10.212 7.699 109 HG3 LYS 20 1HG LYS 20 -4.759 10.928 9.282 110 HD2 LYS 20 2HD LYS 20 -3.097 8.596 8.937 111 HD3 LYS 20 1HD LYS 20 -2.874 9.694 7.574 112 HE2 LYS 20 2HE LYS 20 -1.574 10.982 8.883 113 HE3 LYS 20 1HE LYS 20 -2.989 11.325 9.880 114 HZ1 LYS 20 3HZ LYS 20 -1.464 10.405 11.350 115 HZ2 LYS 20 1HZ LYS 20 -0.940 9.231 10.245 116 HZ3 LYS 20 2HZ LYS 20 -2.472 9.092 10.967 117 H LEU 21 H LEU 21 -5.395 6.099 8.544 118 HA LEU 21 HA LEU 21 -7.396 4.214 8.672 119 HB2 LEU 21 2HB LEU 21 -4.782 4.380 10.163 120 HB3 LEU 21 1HB LEU 21 -5.850 2.987 10.346 121 HG LEU 21 HG LEU 21 -5.497 3.733 7.546 122 HD11 LEU 21 1HD1 LEU 21 -3.235 4.272 8.878 123 HD12 LEU 21 2HD1 LEU 21 -3.216 3.530 7.278 124 HD13 LEU 21 3HD1 LEU 21 -3.031 2.527 8.718 125 HD21 LEU 21 3HD2 LEU 21 -5.544 1.345 9.299 126 HD22 LEU 21 1HD2 LEU 21 -4.544 1.192 7.854 127 HD23 LEU 21 2HD2 LEU 21 -6.257 1.584 7.703 128 H ARG 22 H ARG 22 -9.112 3.849 9.996 129 HA ARG 22 HA ARG 22 -9.407 5.460 12.433 130 HB2 ARG 22 2HB ARG 22 -11.228 4.583 10.633 131 HB3 ARG 22 1HB ARG 22 -11.371 3.312 11.847 132 HG2 ARG 22 2HG ARG 22 -11.567 6.281 12.408 133 HG3 ARG 22 1HG ARG 22 -12.932 5.171 12.312 134 HD2 ARG 22 2HD ARG 22 -11.522 3.817 14.108 135 HD3 ARG 22 1HD ARG 22 -10.819 5.405 14.420 136 HE ARG 22 HE ARG 22 -13.654 5.680 14.363 137 HH11 ARG 22 1HH1 ARG 22 -11.794 3.400 16.013 138 HH12 ARG 22 2HH1 ARG 22 -12.339 3.851 17.594 139 HH21 ARG 22 1HH2 ARG 22 -14.076 6.640 16.490 140 HH22 ARG 22 2HH2 ARG 22 -13.631 5.684 17.864 141 HA PRO 23 HA PRO 23 -9.237 1.117 14.399 142 HB2 PRO 23 2HB PRO 23 -8.619 -1.003 12.769 143 HB3 PRO 23 1HB PRO 23 -10.276 -0.441 13.048 144 HG2 PRO 23 2HG PRO 23 -8.575 -0.122 10.628 145 HG3 PRO 23 1HG PRO 23 -10.341 -0.099 10.769 146 HD2 PRO 23 2HD PRO 23 -8.627 2.162 10.516 147 HD3 PRO 23 1HD PRO 23 -10.366 2.184 10.870 148 H GLY 24 H GLY 24 -7.334 -0.949 14.154 149 HA2 GLY 24 2HA GLY 24 -4.823 0.608 14.351 150 HA3 GLY 24 1HA GLY 24 -5.053 -1.050 14.909 151 H ALA 25 H ALA 25 -6.207 -0.113 11.765 152 HA ALA 25 HA ALA 25 -4.585 -2.135 10.472 153 HB1 ALA 25 1HB ALA 25 -5.576 -0.652 8.410 154 HB2 ALA 25 2HB ALA 25 -6.711 -0.226 9.692 155 HB3 ALA 25 3HB ALA 25 -6.492 -1.914 9.233 156 H GLN 26 H GLN 26 -2.735 -1.853 9.231 157 HA GLN 26 HA GLN 26 -1.240 0.631 9.650 158 HB2 GLN 26 2HB GLN 26 -0.638 -2.096 8.959 159 HB3 GLN 26 1HB GLN 26 0.077 -1.025 7.754 160 HG2 GLN 26 2HG GLN 26 1.761 -0.936 9.318 161 HG3 GLN 26 1HG GLN 26 0.740 0.349 9.963 162 HE21 GLN 26 1HE2 GLN 26 -1.356 -1.268 11.079 163 HE22 GLN 26 2HE2 GLN 26 -0.709 -2.159 12.370 164 H CYS 27 H CYS 27 -3.283 -0.716 7.220 165 HA CYS 27 HA CYS 27 -3.009 1.717 5.603 166 HB2 CYS 27 2HB CYS 27 -1.338 0.675 4.377 167 HB3 CYS 27 1HB CYS 27 -1.926 -0.941 4.734 168 H GLY 28 H GLY 28 -4.971 2.171 4.637 169 HA2 GLY 28 2HA GLY 28 -7.167 0.262 5.142 170 HA3 GLY 28 1HA GLY 28 -7.358 1.934 4.621 171 H GLU 29 H GLU 29 -5.324 1.641 2.535 172 HA GLU 29 HA GLU 29 -6.484 -0.377 0.724 173 HB2 GLU 29 2HB GLU 29 -7.078 1.237 -0.955 174 HB3 GLU 29 1HB GLU 29 -7.860 1.723 0.540 175 HG2 GLU 29 2HG GLU 29 -6.834 3.713 0.420 176 HG3 GLU 29 1HG GLU 29 -5.272 2.901 0.519 177 H GLY 30 H GLY 30 -4.992 -1.018 -0.864 178 HA2 GLY 30 2HA GLY 30 -2.836 0.298 -1.964 179 HA3 GLY 30 1HA GLY 30 -2.215 -0.230 -0.396 180 H LEU 31 H LEU 31 -1.573 -1.142 -3.221 181 HA LEU 31 HA LEU 31 -2.631 -3.708 -3.761 182 HB2 LEU 31 2HB LEU 31 -0.070 -2.308 -4.403 183 HB3 LEU 31 1HB LEU 31 -0.139 -4.051 -4.665 184 HG LEU 31 HG LEU 31 -2.205 -2.118 -5.740 185 HD11 LEU 31 1HD1 LEU 31 0.138 -3.390 -7.183 186 HD12 LEU 31 2HD1 LEU 31 0.055 -1.695 -6.701 187 HD13 LEU 31 3HD1 LEU 31 -1.076 -2.328 -7.896 188 HD21 LEU 31 3HD2 LEU 31 -2.932 -3.995 -7.068 189 HD22 LEU 31 1HD2 LEU 31 -2.805 -4.563 -5.403 190 HD23 LEU 31 2HD2 LEU 31 -1.541 -4.958 -6.569 191 H CYS 32 H CYS 32 0.139 -2.780 -1.727 192 HA CYS 32 HA CYS 32 0.483 -5.587 -0.881 193 HB2 CYS 32 2HB CYS 32 1.963 -3.258 0.314 194 HB3 CYS 32 1HB CYS 32 2.520 -4.910 0.055 195 H CYS 33 H CYS 33 -2.015 -4.252 -0.186 196 HA CYS 33 HA CYS 33 -1.689 -4.089 2.779 197 HB2 CYS 33 2HB CYS 33 -3.832 -2.878 1.010 198 HB3 CYS 33 1HB CYS 33 -3.816 -2.796 2.771 199 H GLU 34 H GLU 34 -2.202 -6.058 3.603 200 HA GLU 34 HA GLU 34 -4.571 -7.480 2.456 201 HB2 GLU 34 2HB GLU 34 -2.077 -8.484 2.686 202 HB3 GLU 34 1HB GLU 34 -2.697 -8.896 4.286 203 HG2 GLU 34 2HG GLU 34 -4.388 -10.264 3.424 204 HG3 GLU 34 1HG GLU 34 -4.353 -9.476 1.845 205 H GLN 35 H GLN 35 -6.348 -7.174 3.727 206 HA GLN 35 HA GLN 35 -7.655 -7.171 5.696 207 HB2 GLN 35 2HB GLN 35 -5.579 -8.836 6.346 208 HB3 GLN 35 1HB GLN 35 -5.371 -7.550 7.535 209 HG2 GLN 35 2HG GLN 35 -8.133 -8.026 7.481 210 HG3 GLN 35 1HG GLN 35 -7.399 -9.629 7.421 211 HE21 GLN 35 1HE2 GLN 35 -5.700 -10.081 9.146 212 HE22 GLN 35 2HE2 GLN 35 -5.867 -9.325 10.657 213 H CYS 36 H CYS 36 -6.266 -4.867 4.550 214 HA CYS 36 HA CYS 36 -5.964 -2.608 5.058 215 HB2 CYS 36 2HB CYS 36 -7.301 -3.547 7.603 216 HB3 CYS 36 1HB CYS 36 -6.802 -1.870 7.364 217 H LYS 37 H LYS 37 -3.934 -4.746 5.715 218 HA LYS 37 HA LYS 37 -2.309 -3.089 7.600 219 HB2 LYS 37 2HB LYS 37 -2.452 -6.117 7.448 220 HB3 LYS 37 1HB LYS 37 -1.286 -5.217 8.420 221 HG2 LYS 37 2HG LYS 37 -3.452 -4.025 9.354 222 HG3 LYS 37 1HG LYS 37 -4.250 -5.495 8.795 223 HD2 LYS 37 2HD LYS 37 -2.031 -6.500 10.080 224 HD3 LYS 37 1HD LYS 37 -2.437 -5.103 11.078 225 HE2 LYS 37 2HE LYS 37 -4.686 -5.902 11.415 226 HE3 LYS 37 1HE LYS 37 -4.466 -7.184 10.224 227 HZ1 LYS 37 3HZ LYS 37 -4.049 -8.344 12.111 228 HZ2 LYS 37 1HZ LYS 37 -3.471 -6.997 12.965 229 HZ3 LYS 37 2HZ LYS 37 -2.476 -7.769 11.824 230 H PHE 38 H PHE 38 0.121 -3.640 7.293 231 HA PHE 38 HA PHE 38 0.710 -3.416 4.441 232 HB2 PHE 38 2HB PHE 38 2.495 -3.589 6.885 233 HB3 PHE 38 1HB PHE 38 3.104 -3.374 5.245 234 HD1 PHE 38 1HD PHE 38 0.928 -1.589 4.155 235 HD2 PHE 38 2HD PHE 38 3.057 -1.518 7.884 236 HE1 PHE 38 1HE PHE 38 0.535 0.852 4.335 237 HE2 PHE 38 2HE PHE 38 2.664 0.921 8.063 238 HZ PHE 38 HZ PHE 38 1.402 2.109 6.290 239 H SER 39 H SER 39 1.062 -5.122 3.110 240 HA SER 39 HA SER 39 1.006 -7.833 4.003 241 HB2 SER 39 2HB SER 39 2.227 -6.813 1.420 242 HB3 SER 39 1HB SER 39 1.587 -8.425 1.728 243 HG SER 39 HG SER 39 -0.462 -7.518 1.950 244 H ARG 40 H ARG 40 3.145 -9.135 2.818 245 HA ARG 40 HA ARG 40 5.357 -8.311 4.628 246 HB2 ARG 40 2HB ARG 40 4.680 -10.899 3.222 247 HB3 ARG 40 1HB ARG 40 6.251 -10.632 3.978 248 HG2 ARG 40 2HG ARG 40 5.353 -11.213 5.955 249 HG3 ARG 40 1HG ARG 40 4.313 -9.791 5.860 250 HD2 ARG 40 2HD ARG 40 2.599 -11.277 5.828 251 HD3 ARG 40 1HD ARG 40 3.056 -11.541 4.145 252 HE ARG 40 HE ARG 40 4.492 -13.190 6.117 253 HH11 ARG 40 1HH1 ARG 40 3.084 -13.163 3.119 254 HH12 ARG 40 2HH1 ARG 40 2.316 -14.709 3.248 255 HH21 ARG 40 1HH2 ARG 40 2.985 -15.055 6.632 256 HH22 ARG 40 2HH2 ARG 40 2.260 -15.781 5.237 257 H ALA 41 H ALA 41 7.608 -8.586 3.713 258 HA ALA 41 HA ALA 41 7.840 -7.104 1.240 259 HB1 ALA 41 1HB ALA 41 9.883 -6.724 2.105 260 HB2 ALA 41 2HB ALA 41 10.296 -8.423 1.875 261 HB3 ALA 41 3HB ALA 41 9.557 -7.892 3.386 262 H GLY 42 H GLY 42 9.357 -8.060 -0.555 263 HA2 GLY 42 2HA GLY 42 9.726 -9.762 -2.157 264 HA3 GLY 42 1HA GLY 42 9.229 -10.936 -0.941 265 H LYS 43 H LYS 43 7.141 -8.226 -1.576 266 HA LYS 43 HA LYS 43 5.147 -10.132 -2.710 267 HB2 LYS 43 2HB LYS 43 4.226 -8.928 -0.889 268 HB3 LYS 43 1HB LYS 43 4.942 -7.411 -1.424 269 HG2 LYS 43 2HG LYS 43 2.532 -7.442 -1.923 270 HG3 LYS 43 1HG LYS 43 3.469 -7.425 -3.414 271 HD2 LYS 43 2HD LYS 43 2.941 -9.614 -3.940 272 HD3 LYS 43 1HD LYS 43 2.732 -10.078 -2.251 273 HE2 LYS 43 2HE LYS 43 0.570 -9.986 -3.494 274 HE3 LYS 43 1HE LYS 43 0.620 -8.861 -2.137 275 HZ1 LYS 43 3HZ LYS 43 1.364 -7.144 -3.771 276 HZ2 LYS 43 1HZ LYS 43 -0.230 -7.685 -3.983 277 HZ3 LYS 43 2HZ LYS 43 1.000 -8.247 -5.012 278 H ILE 44 H ILE 44 5.318 -10.253 -4.909 279 HA ILE 44 HA ILE 44 6.308 -8.144 -6.578 280 HB ILE 44 HB ILE 44 6.355 -10.435 -7.368 281 HG12 ILE 44 2HG1 ILE 44 5.145 -10.151 -9.555 282 HG13 ILE 44 1HG1 ILE 44 4.386 -8.702 -8.895 283 HG21 ILE 44 1HG2 ILE 44 4.631 -11.702 -6.599 284 HG22 ILE 44 2HG2 ILE 44 3.794 -11.150 -8.050 285 HG23 ILE 44 3HG2 ILE 44 3.536 -10.322 -6.514 286 HD11 ILE 44 3HD1 ILE 44 6.235 -7.468 -9.270 287 HD12 ILE 44 1HD1 ILE 44 6.864 -8.833 -10.192 288 HD13 ILE 44 2HD1 ILE 44 7.265 -8.663 -8.483 289 H CYS 45 H CYS 45 5.081 -6.253 -5.957 290 HA CYS 45 HA CYS 45 2.170 -6.241 -6.237 291 HB2 CYS 45 2HB CYS 45 2.481 -3.731 -5.988 292 HB3 CYS 45 1HB CYS 45 3.058 -4.708 -4.641 293 H ARG 46 H ARG 46 4.884 -5.709 -8.336 294 HA ARG 46 HA ARG 46 3.037 -5.352 -10.591 295 HB2 ARG 46 2HB ARG 46 3.206 -3.043 -9.982 296 HB3 ARG 46 1HB ARG 46 4.946 -3.169 -9.726 297 HG2 ARG 46 2HG ARG 46 5.393 -3.359 -12.040 298 HG3 ARG 46 1HG ARG 46 3.716 -3.759 -12.416 299 HD2 ARG 46 2HD ARG 46 2.986 -1.537 -12.072 300 HD3 ARG 46 1HD ARG 46 4.450 -1.102 -11.191 301 HE ARG 46 HE ARG 46 5.450 -1.722 -13.655 302 HH11 ARG 46 1HH1 ARG 46 5.193 1.130 -12.741 303 HH12 ARG 46 2HH1 ARG 46 4.218 1.822 -13.994 304 HH21 ARG 46 1HH2 ARG 46 3.149 -1.241 -15.220 305 HH22 ARG 46 2HH2 ARG 46 3.061 0.480 -15.399 306 H ILE 47 H ILE 47 3.900 -6.244 -12.408 307 HA ILE 47 HA ILE 47 6.555 -7.472 -12.190 308 HB ILE 47 HB ILE 47 4.491 -8.581 -13.206 309 HG12 ILE 47 2HG1 ILE 47 6.530 -8.641 -15.344 310 HG13 ILE 47 1HG1 ILE 47 7.159 -8.906 -13.718 311 HG21 ILE 47 1HG2 ILE 47 5.220 -6.746 -15.510 312 HG22 ILE 47 2HG2 ILE 47 3.761 -6.616 -14.527 313 HG23 ILE 47 3HG2 ILE 47 4.010 -8.028 -15.553 314 HD11 ILE 47 3HD1 ILE 47 6.030 -10.858 -15.278 315 HD12 ILE 47 1HD1 ILE 47 4.657 -10.348 -14.295 316 HD13 ILE 47 2HD1 ILE 47 6.132 -10.921 -13.518 317 H ALA 48 H ALA 48 8.345 -6.934 -13.458 318 HA ALA 48 HA ALA 48 8.316 -4.212 -14.594 319 HB1 ALA 48 1HB ALA 48 10.294 -4.491 -13.414 320 HB2 ALA 48 2HB ALA 48 10.830 -4.987 -15.020 321 HB3 ALA 48 3HB ALA 48 10.410 -6.205 -13.816 322 H ARG 49 H ARG 49 9.130 -3.825 -16.800 323 HA ARG 49 HA ARG 49 8.103 -5.825 -18.672 324 HB2 ARG 49 2HB ARG 49 9.695 -3.388 -19.465 325 HB3 ARG 49 1HB ARG 49 8.424 -4.212 -20.366 326 HG2 ARG 49 2HG ARG 49 7.921 -2.812 -17.729 327 HG3 ARG 49 1HG ARG 49 7.719 -2.022 -19.292 328 HD2 ARG 49 2HD ARG 49 6.334 -4.606 -18.532 329 HD3 ARG 49 1HD ARG 49 5.596 -3.014 -18.357 330 HE ARG 49 HE ARG 49 5.771 -4.477 -20.806 331 HH11 ARG 49 1HH1 ARG 49 5.536 -1.386 -19.366 332 HH12 ARG 49 2HH1 ARG 49 5.467 -0.529 -20.870 333 HH21 ARG 49 1HH2 ARG 49 5.975 -3.357 -22.811 334 HH22 ARG 49 2HH2 ARG 49 5.715 -1.645 -22.819 335 H GLY 50 H GLY 50 11.127 -4.991 -17.250 336 HA2 GLY 50 2HA GLY 50 12.678 -7.052 -17.541 337 HA3 GLY 50 1HA GLY 50 12.572 -6.661 -19.252 338 H ASP 51 H ASP 51 14.997 -6.740 -17.838 339 HA ASP 51 HA ASP 51 16.975 -5.461 -17.987 340 HB2 ASP 51 2HB ASP 51 15.191 -3.846 -19.362 341 HB3 ASP 51 1HB ASP 51 15.787 -2.804 -18.076 342 H TRP 52 H TRP 52 14.307 -4.657 -15.915 343 HA TRP 52 HA TRP 52 16.300 -3.884 -13.829 344 HB2 TRP 52 2HB TRP 52 14.445 -2.334 -12.935 345 HB3 TRP 52 1HB TRP 52 15.308 -1.796 -14.376 346 HD1 TRP 52 HD TRP 52 12.043 -3.572 -13.387 347 HE1 TRP 52 1HE TRP 52 10.281 -3.117 -15.209 348 HE3 TRP 52 3HE TRP 52 14.896 -0.994 -16.735 349 HZ2 TRP 52 2HZ TRP 52 10.110 -1.837 -17.751 350 HZ3 TRP 52 3HZ TRP 52 13.911 -0.181 -18.859 351 HH2 TRP 52 HH TRP 52 11.523 -0.605 -19.368 352 H ASN 53 H ASN 53 15.358 -4.178 -11.581 353 HA ASN 53 HA ASN 53 14.262 -6.817 -11.328 354 HB2 ASN 53 2HB ASN 53 15.040 -4.621 -9.509 355 HB3 ASN 53 1HB ASN 53 13.783 -5.690 -8.886 356 HD21 ASN 53 1HD2 ASN 53 16.688 -6.315 -10.942 357 HD22 ASN 53 2HD2 ASN 53 17.310 -7.536 -9.942 358 H ASP 54 H ASP 54 12.171 -7.403 -10.419 359 HA ASP 54 HA ASP 54 9.988 -5.843 -11.560 360 HB2 ASP 54 2HB ASP 54 9.667 -8.144 -9.634 361 HB3 ASP 54 1HB ASP 54 8.598 -7.656 -10.950 362 H ASP 55 H ASP 55 7.997 -5.472 -10.041 363 HA ASP 55 HA ASP 55 8.913 -3.717 -7.884 364 HB2 ASP 55 2HB ASP 55 6.727 -3.745 -9.579 365 HB3 ASP 55 1HB ASP 55 6.033 -4.256 -8.041 366 H ARG 56 H ARG 56 8.976 -4.261 -5.736 367 HA ARG 56 HA ARG 56 7.473 -6.672 -4.826 368 HB2 ARG 56 2HB ARG 56 9.963 -7.096 -5.434 369 HB3 ARG 56 1HB ARG 56 10.315 -6.191 -3.962 370 HG2 ARG 56 2HG ARG 56 9.929 -8.043 -2.764 371 HG3 ARG 56 1HG ARG 56 8.255 -8.024 -3.319 372 HD2 ARG 56 2HD ARG 56 9.138 -10.154 -3.965 373 HD3 ARG 56 1HD ARG 56 9.074 -9.183 -5.435 374 HE ARG 56 HE ARG 56 11.617 -8.706 -4.555 375 HH11 ARG 56 1HH1 ARG 56 10.647 -11.553 -3.372 376 HH12 ARG 56 2HH1 ARG 56 11.594 -12.574 -4.402 377 HH21 ARG 56 1HH2 ARG 56 12.457 -10.019 -6.584 378 HH22 ARG 56 2HH2 ARG 56 12.619 -11.705 -6.222 379 H CYS 57 H CYS 57 6.197 -5.927 -3.184 380 HA CYS 57 HA CYS 57 6.594 -3.483 -1.790 381 HB2 CYS 57 2HB CYS 57 5.267 -5.865 -0.499 382 HB3 CYS 57 1HB CYS 57 4.870 -4.158 -0.322 383 H THR 58 H THR 58 7.539 -3.042 0.233 384 HA THR 58 HA THR 58 9.682 -4.920 1.014 385 HB THR 58 HB THR 58 10.748 -3.104 1.981 386 HG1 THR 58 1HG THR 58 9.279 -1.210 2.545 387 HG21 THR 58 3HG2 THR 58 10.272 -2.610 -0.422 388 HG22 THR 58 1HG2 THR 58 10.445 -1.153 0.556 389 HG23 THR 58 2HG2 THR 58 8.840 -1.711 0.081 390 H GLY 59 H GLY 59 6.876 -5.576 1.610 391 HA2 GLY 59 2HA GLY 59 5.571 -6.312 3.422 392 HA3 GLY 59 1HA GLY 59 7.125 -6.610 4.204 393 H GLN 60 H GLN 60 6.277 -3.391 3.181 394 HA GLN 60 HA GLN 60 5.335 -2.629 5.874 395 HB2 GLN 60 2HB GLN 60 7.974 -1.803 4.680 396 HB3 GLN 60 1HB GLN 60 7.116 -0.713 5.770 397 HG2 GLN 60 2HG GLN 60 6.932 -3.004 7.193 398 HG3 GLN 60 1HG GLN 60 8.452 -3.303 6.349 399 HE21 GLN 60 1HE2 GLN 60 6.854 -1.180 8.694 400 HE22 GLN 60 2HE2 GLN 60 8.270 -0.408 9.224 401 H SER 61 H SER 61 6.198 -1.637 2.574 402 HA SER 61 HA SER 61 4.664 0.833 2.707 403 HB2 SER 61 2HB SER 61 5.425 -0.603 0.166 404 HB3 SER 61 1HB SER 61 5.255 1.129 0.436 405 HG SER 61 HG SER 61 7.108 1.079 1.689 406 H ALA 62 H ALA 62 2.582 1.206 1.861 407 HA ALA 62 HA ALA 62 0.929 -1.240 1.548 408 HB1 ALA 62 1HB ALA 62 0.454 1.530 2.443 409 HB2 ALA 62 2HB ALA 62 -0.374 0.043 2.902 410 HB3 ALA 62 3HB ALA 62 -0.818 0.875 1.413 411 H ASP 63 H ASP 63 1.226 1.947 -0.076 412 HA ASP 63 HA ASP 63 0.006 0.849 -2.511 413 HB2 ASP 63 2HB ASP 63 1.359 3.538 -2.195 414 HB3 ASP 63 1HB ASP 63 0.123 3.079 -3.368 415 H CYS 64 H CYS 64 1.275 -0.441 -3.771 416 HA CYS 64 HA CYS 64 4.081 -0.618 -3.693 417 HB2 CYS 64 2HB CYS 64 2.726 -2.319 -4.798 418 HB3 CYS 64 1HB CYS 64 2.228 -1.164 -6.030 419 HA PRO 65 HA PRO 65 5.048 3.254 -5.607 420 HB2 PRO 65 2HB PRO 65 7.704 3.082 -4.971 421 HB3 PRO 65 1HB PRO 65 6.473 3.636 -3.835 422 HG2 PRO 65 2HG PRO 65 7.973 1.075 -3.901 423 HG3 PRO 65 1HG PRO 65 7.153 1.858 -2.540 424 HD2 PRO 65 2HD PRO 65 6.184 -0.334 -4.078 425 HD3 PRO 65 1HD PRO 65 5.284 0.585 -2.854 426 H ARG 66 H ARG 66 7.366 3.711 -6.961 427 HA ARG 66 HA ARG 66 7.915 1.406 -8.735 428 HB2 ARG 66 2HB ARG 66 7.537 3.022 -10.731 429 HB3 ARG 66 1HB ARG 66 6.116 2.307 -9.969 430 HG2 ARG 66 2HG ARG 66 5.632 4.299 -8.759 431 HG3 ARG 66 1HG ARG 66 7.219 4.985 -9.109 432 HD2 ARG 66 2HD ARG 66 5.327 4.285 -11.345 433 HD3 ARG 66 1HD ARG 66 5.188 5.825 -10.498 434 HE ARG 66 HE ARG 66 7.906 5.489 -11.259 435 HH11 ARG 66 1HH2 ARG 66 4.768 6.308 -12.391 436 HH12 ARG 66 2HH2 ARG 66 5.327 6.948 -13.900 437 HH21 ARG 66 1HH1 ARG 66 8.650 6.149 -13.308 438 HH22 ARG 66 2HH1 ARG 66 7.528 6.859 -14.419 439 H TYR 67 H TYR 67 10.000 1.486 -9.553 440 HA TYR 67 HA TYR 67 11.685 3.725 -8.597 441 HB2 TYR 67 2HB TYR 67 12.745 1.358 -10.114 442 HB3 TYR 67 1HB TYR 67 13.507 2.284 -8.821 443 HD1 TYR 67 1HD TYR 67 12.391 2.176 -6.477 444 HD2 TYR 67 2HD TYR 67 11.631 -0.652 -9.620 445 HE1 TYR 67 1HE TYR 67 11.545 0.549 -4.808 446 HE2 TYR 67 2HE TYR 67 10.787 -2.280 -7.949 447 HH TYR 67 HH TYR 67 9.833 -1.518 -4.965 448 H HIS 68 H HIS 68 11.597 1.853 -11.654 449 HA HIS 68 HA HIS 68 12.293 4.381 -13.076 450 HB2 HIS 68 2HB HIS 68 12.404 1.563 -14.176 451 HB3 HIS 68 1HB HIS 68 13.177 3.007 -14.831 452 HD1 HIS 68 1HD HIS 68 14.730 4.219 -12.702 453 HD2 HIS 68 2HD HIS 68 14.308 0.075 -12.856 454 HE1 HIS 68 1HE HIS 68 16.636 3.254 -11.342 Start of MODEL 18 1 H GLY 1 1HT GLY 1 4.635 15.300 8.313 2 HA2 GLY 1 1HA GLY 1 2.653 14.730 9.361 3 HA3 GLY 1 2HA GLY 1 2.519 16.462 9.062 4 H LYS 2 H LYS 2 1.694 13.298 7.634 5 HA LYS 2 HA LYS 2 -0.468 14.624 6.080 6 HB2 LYS 2 2HB LYS 2 0.504 11.753 5.956 7 HB3 LYS 2 1HB LYS 2 -0.605 12.537 4.829 8 HG2 LYS 2 2HG LYS 2 1.667 14.209 4.973 9 HG3 LYS 2 1HG LYS 2 2.283 12.562 4.833 10 HD2 LYS 2 2HD LYS 2 0.885 12.173 2.861 11 HD3 LYS 2 1HD LYS 2 0.184 13.784 3.018 12 HE2 LYS 2 2HE LYS 2 3.119 13.796 2.980 13 HE3 LYS 2 1HE LYS 2 2.403 13.164 1.498 14 HZ1 LYS 2 3HZ LYS 2 1.397 15.131 1.026 15 HZ2 LYS 2 1HZ LYS 2 2.753 15.723 1.855 16 HZ3 LYS 2 2HZ LYS 2 1.259 15.596 2.655 17 H GLU 3 H GLU 3 -2.479 14.613 6.947 18 HA GLU 3 HA GLU 3 -3.077 12.739 9.165 19 HB2 GLU 3 2HB GLU 3 -4.067 15.368 8.274 20 HB3 GLU 3 1HB GLU 3 -5.336 14.268 8.814 21 HG2 GLU 3 2HG GLU 3 -4.739 15.190 10.847 22 HG3 GLU 3 1HG GLU 3 -3.616 13.830 10.800 23 H CYS 4 H CYS 4 -2.984 12.097 6.137 24 HA CYS 4 HA CYS 4 -5.615 10.708 6.144 25 HB2 CYS 4 2HB CYS 4 -5.547 12.768 4.610 26 HB3 CYS 4 1HB CYS 4 -4.417 11.846 3.619 27 H ASP 5 H ASP 5 -4.972 8.625 6.404 28 HA ASP 5 HA ASP 5 -2.509 7.624 5.162 29 HB2 ASP 5 2HB ASP 5 -3.632 6.933 7.453 30 HB3 ASP 5 1HB ASP 5 -4.564 5.840 6.429 31 H CYS 6 H CYS 6 -5.527 8.256 3.992 32 HA CYS 6 HA CYS 6 -5.281 6.091 1.946 33 HB2 CYS 6 2HB CYS 6 -7.744 5.991 1.837 34 HB3 CYS 6 1HB CYS 6 -7.180 5.607 3.462 35 H SER 7 H SER 7 -6.586 6.767 -0.094 36 HA SER 7 HA SER 7 -6.183 9.700 -0.519 37 HB2 SER 7 2HB SER 7 -5.736 7.327 -2.319 38 HB3 SER 7 1HB SER 7 -6.011 8.928 -2.999 39 HG SER 7 HG SER 7 -4.139 8.561 -0.932 40 H SER 8 H SER 8 -8.604 7.768 0.183 41 HA SER 8 HA SER 8 -10.478 9.231 -1.594 42 HB2 SER 8 2HB SER 8 -10.320 6.232 -1.280 43 HB3 SER 8 1HB SER 8 -11.797 7.035 -1.805 44 HG SER 8 HG SER 8 -10.597 7.938 -3.523 45 HA PRO 9 HA PRO 9 -12.600 9.588 2.261 46 HB2 PRO 9 2HB PRO 9 -14.932 10.641 1.258 47 HB3 PRO 9 1HB PRO 9 -13.435 11.573 1.428 48 HG2 PRO 9 2HG PRO 9 -14.694 10.483 -1.043 49 HG3 PRO 9 1HG PRO 9 -13.613 11.873 -0.855 50 HD2 PRO 9 2HD PRO 9 -12.876 9.301 -1.800 51 HD3 PRO 9 1HD PRO 9 -11.764 10.604 -1.324 52 H GLU 10 H GLU 10 -13.980 7.851 -0.477 53 HA GLU 10 HA GLU 10 -16.100 6.633 1.159 54 HB2 GLU 10 2HB GLU 10 -15.222 5.942 -1.659 55 HB3 GLU 10 1HB GLU 10 -16.736 5.477 -0.883 56 HG2 GLU 10 2HG GLU 10 -17.589 7.657 -0.944 57 HG3 GLU 10 1HG GLU 10 -15.989 8.382 -1.107 58 H ASN 11 H ASN 11 -13.493 6.136 2.172 59 HA ASN 11 HA ASN 11 -13.082 3.262 1.484 60 HB2 ASN 11 2HB ASN 11 -11.076 4.617 1.170 61 HB3 ASN 11 1HB ASN 11 -11.227 5.270 2.802 62 HD21 ASN 11 1HD2 ASN 11 -8.855 3.915 2.113 63 HD22 ASN 11 2HD2 ASN 11 -8.798 2.429 2.931 64 HA PRO 12 HA PRO 12 -14.850 2.569 5.514 65 HB2 PRO 12 2HB PRO 12 -14.614 -0.172 5.444 66 HB3 PRO 12 1HB PRO 12 -15.900 0.723 4.615 67 HG2 PRO 12 2HG PRO 12 -13.481 -0.587 3.462 68 HG3 PRO 12 1HG PRO 12 -15.049 -0.261 2.705 69 HD2 PRO 12 2HD PRO 12 -12.684 1.239 2.316 70 HD3 PRO 12 1HD PRO 12 -14.323 1.743 1.856 71 H CYS 13 H CYS 13 -11.768 1.210 4.437 72 HA CYS 13 HA CYS 13 -10.892 0.577 7.156 73 HB2 CYS 13 2HB CYS 13 -10.181 -0.430 4.772 74 HB3 CYS 13 1HB CYS 13 -8.939 0.818 4.915 75 H CYS 14 H CYS 14 -11.187 3.413 5.396 76 HA CYS 14 HA CYS 14 -9.019 4.693 7.011 77 HB2 CYS 14 2HB CYS 14 -8.345 4.817 4.709 78 HB3 CYS 14 1HB CYS 14 -9.960 5.305 4.198 79 H ASP 15 H ASP 15 -10.055 5.751 8.639 80 HA ASP 15 HA ASP 15 -12.768 6.595 8.614 81 HB2 ASP 15 2HB ASP 15 -10.953 6.423 10.560 82 HB3 ASP 15 1HB ASP 15 -10.758 8.139 10.205 83 H ALA 16 H ALA 16 -13.667 8.176 7.397 84 HA ALA 16 HA ALA 16 -12.046 10.055 5.898 85 HB1 ALA 16 1HB ALA 16 -14.272 11.024 5.250 86 HB2 ALA 16 2HB ALA 16 -15.039 9.892 6.364 87 HB3 ALA 16 3HB ALA 16 -14.155 9.287 4.962 88 H ALA 17 H ALA 17 -13.883 10.176 8.903 89 HA ALA 17 HA ALA 17 -14.089 12.941 9.313 90 HB1 ALA 17 1HB ALA 17 -14.995 11.309 10.906 91 HB2 ALA 17 2HB ALA 17 -13.923 12.430 11.744 92 HB3 ALA 17 3HB ALA 17 -13.363 10.806 11.346 93 H THR 18 H THR 18 -11.280 10.823 9.803 94 HA THR 18 HA THR 18 -9.614 13.282 10.161 95 HB THR 18 HB THR 18 -9.291 12.022 12.124 96 HG1 THR 18 1HG THR 18 -7.342 12.377 10.728 97 HG21 THR 18 3HG2 THR 18 -9.530 9.642 10.292 98 HG22 THR 18 1HG2 THR 18 -10.502 10.042 11.708 99 HG23 THR 18 2HG2 THR 18 -8.842 9.483 11.908 100 H CYS 19 H CYS 19 -10.402 10.760 8.056 101 HA CYS 19 HA CYS 19 -9.529 10.299 5.911 102 HB2 CYS 19 2HB CYS 19 -8.546 12.799 6.409 103 HB3 CYS 19 1HB CYS 19 -7.050 11.875 6.288 104 H LYS 20 H LYS 20 -8.387 9.425 8.807 105 HA LYS 20 HA LYS 20 -6.106 7.870 7.649 106 HB2 LYS 20 2HB LYS 20 -6.567 8.590 10.557 107 HB3 LYS 20 1HB LYS 20 -5.155 7.773 9.887 108 HG2 LYS 20 2HG LYS 20 -5.242 10.006 8.317 109 HG3 LYS 20 1HG LYS 20 -5.865 10.644 9.838 110 HD2 LYS 20 2HD LYS 20 -3.349 8.972 9.688 111 HD3 LYS 20 1HD LYS 20 -3.330 10.732 9.557 112 HE2 LYS 20 2HE LYS 20 -4.824 10.539 11.762 113 HE3 LYS 20 1HE LYS 20 -3.952 9.014 11.917 114 HZ1 LYS 20 3HZ LYS 20 -2.309 11.276 11.194 115 HZ2 LYS 20 1HZ LYS 20 -2.036 10.056 12.340 116 HZ3 LYS 20 2HZ LYS 20 -3.014 11.388 12.735 117 H LEU 21 H LEU 21 -5.801 5.696 8.641 118 HA LEU 21 HA LEU 21 -7.899 3.956 8.311 119 HB2 LEU 21 2HB LEU 21 -5.617 3.808 10.290 120 HB3 LEU 21 1HB LEU 21 -6.727 2.463 10.014 121 HG LEU 21 HG LEU 21 -5.769 3.574 7.501 122 HD11 LEU 21 1HD1 LEU 21 -3.805 4.060 9.055 123 HD12 LEU 21 2HD1 LEU 21 -3.445 3.026 7.672 124 HD13 LEU 21 3HD1 LEU 21 -3.661 2.315 9.271 125 HD21 LEU 21 3HD2 LEU 21 -6.206 0.983 8.845 126 HD22 LEU 21 1HD2 LEU 21 -4.875 0.983 7.687 127 HD23 LEU 21 2HD2 LEU 21 -6.497 1.443 7.167 128 H ARG 22 H ARG 22 -9.780 3.493 9.372 129 HA ARG 22 HA ARG 22 -10.461 5.072 11.739 130 HB2 ARG 22 2HB ARG 22 -12.378 4.942 10.514 131 HB3 ARG 22 1HB ARG 22 -11.912 3.429 9.749 132 HG2 ARG 22 2HG ARG 22 -12.478 2.226 11.864 133 HG3 ARG 22 1HG ARG 22 -13.022 3.754 12.555 134 HD2 ARG 22 2HD ARG 22 -15.037 3.439 11.608 135 HD3 ARG 22 1HD ARG 22 -14.276 3.502 10.017 136 HE ARG 22 HE ARG 22 -13.797 0.926 10.700 137 HH11 ARG 22 1HH1 ARG 22 -16.399 2.292 12.251 138 HH12 ARG 22 2HH1 ARG 22 -17.603 1.260 11.554 139 HH21 ARG 22 1HH2 ARG 22 -15.436 -0.157 9.249 140 HH22 ARG 22 2HH2 ARG 22 -17.057 -0.125 9.855 141 HA PRO 23 HA PRO 23 -10.643 0.771 13.789 142 HB2 PRO 23 2HB PRO 23 -9.910 -1.411 12.287 143 HB3 PRO 23 1HB PRO 23 -11.572 -0.803 12.382 144 HG2 PRO 23 2HG PRO 23 -9.601 -0.544 10.155 145 HG3 PRO 23 1HG PRO 23 -11.372 -0.559 10.093 146 HD2 PRO 23 2HD PRO 23 -9.739 1.738 9.922 147 HD3 PRO 23 1HD PRO 23 -11.489 1.723 10.225 148 H GLY 24 H GLY 24 -8.799 -1.339 13.857 149 HA2 GLY 24 2HA GLY 24 -6.286 0.147 14.318 150 HA3 GLY 24 1HA GLY 24 -6.628 -1.497 14.855 151 H ALA 25 H ALA 25 -7.335 -0.588 11.570 152 HA ALA 25 HA ALA 25 -5.573 -2.655 10.546 153 HB1 ALA 25 1HB ALA 25 -7.479 -2.366 9.219 154 HB2 ALA 25 2HB ALA 25 -6.263 -1.475 8.302 155 HB3 ALA 25 3HB ALA 25 -7.405 -0.606 9.325 156 H GLN 26 H GLN 26 -3.549 -2.406 9.585 157 HA GLN 26 HA GLN 26 -2.036 -0.037 10.246 158 HB2 GLN 26 2HB GLN 26 -1.526 -2.665 9.068 159 HB3 GLN 26 1HB GLN 26 -0.571 -1.391 8.309 160 HG2 GLN 26 2HG GLN 26 -0.776 -1.613 11.311 161 HG3 GLN 26 1HG GLN 26 0.422 -2.537 10.405 162 HE21 GLN 26 1HE2 GLN 26 2.286 -1.424 9.666 163 HE22 GLN 26 2HE2 GLN 26 2.529 0.242 9.874 164 H CYS 27 H CYS 27 -3.147 -1.379 7.112 165 HA CYS 27 HA CYS 27 -2.938 1.398 6.025 166 HB2 CYS 27 2HB CYS 27 -1.253 0.496 4.768 167 HB3 CYS 27 1HB CYS 27 -1.800 -1.153 5.028 168 H GLY 28 H GLY 28 -4.822 2.142 5.197 169 HA2 GLY 28 2HA GLY 28 -7.143 0.350 5.108 170 HA3 GLY 28 1HA GLY 28 -7.166 2.090 4.817 171 H GLU 29 H GLU 29 -4.915 1.859 2.872 172 HA GLU 29 HA GLU 29 -6.120 0.272 0.679 173 HB2 GLU 29 2HB GLU 29 -7.214 2.480 0.537 174 HB3 GLU 29 1HB GLU 29 -5.633 3.261 0.498 175 HG2 GLU 29 2HG GLU 29 -5.858 1.138 -1.492 176 HG3 GLU 29 1HG GLU 29 -7.080 2.389 -1.716 177 H GLY 30 H GLY 30 -4.563 -0.359 -0.858 178 HA2 GLY 30 2HA GLY 30 -2.153 0.768 -1.558 179 HA3 GLY 30 1HA GLY 30 -1.773 -0.042 -0.038 180 H LEU 31 H LEU 31 -0.433 -0.980 -2.178 181 HA LEU 31 HA LEU 31 -1.879 -3.155 -3.504 182 HB2 LEU 31 2HB LEU 31 0.801 -1.926 -3.656 183 HB3 LEU 31 1HB LEU 31 0.782 -3.667 -3.935 184 HG LEU 31 HG LEU 31 -0.959 -1.640 -5.365 185 HD11 LEU 31 1HD1 LEU 31 0.893 -1.343 -6.626 186 HD12 LEU 31 2HD1 LEU 31 0.625 -2.986 -7.210 187 HD13 LEU 31 3HD1 LEU 31 1.722 -2.697 -5.860 188 HD21 LEU 31 3HD2 LEU 31 -1.008 -4.570 -5.118 189 HD22 LEU 31 1HD2 LEU 31 -0.978 -4.010 -6.790 190 HD23 LEU 31 2HD2 LEU 31 -2.258 -3.472 -5.703 191 H CYS 32 H CYS 32 0.736 -2.929 -1.081 192 HA CYS 32 HA CYS 32 0.479 -5.815 -0.517 193 HB2 CYS 32 2HB CYS 32 2.254 -3.769 0.841 194 HB3 CYS 32 1HB CYS 32 2.436 -5.525 0.867 195 H CYS 33 H CYS 33 -1.877 -4.532 0.077 196 HA CYS 33 HA CYS 33 -1.809 -4.401 3.062 197 HB2 CYS 33 2HB CYS 33 -3.641 -2.942 1.134 198 HB3 CYS 33 1HB CYS 33 -3.799 -2.909 2.888 199 H GLU 34 H GLU 34 -2.335 -6.576 3.420 200 HA GLU 34 HA GLU 34 -4.850 -7.583 2.174 201 HB2 GLU 34 2HB GLU 34 -2.986 -9.278 3.818 202 HB3 GLU 34 1HB GLU 34 -4.048 -9.761 2.497 203 HG2 GLU 34 2HG GLU 34 -2.607 -8.533 0.901 204 HG3 GLU 34 1HG GLU 34 -1.531 -8.093 2.226 205 H GLN 35 H GLN 35 -6.609 -7.987 3.503 206 HA GLN 35 HA GLN 35 -7.900 -7.928 5.457 207 HB2 GLN 35 2HB GLN 35 -6.058 -9.686 6.061 208 HB3 GLN 35 1HB GLN 35 -5.393 -8.393 7.060 209 HG2 GLN 35 2HG GLN 35 -7.185 -8.404 8.515 210 HG3 GLN 35 1HG GLN 35 -8.321 -8.945 7.278 211 HE21 GLN 35 1HE2 GLN 35 -6.459 -10.000 9.943 212 HE22 GLN 35 2HE2 GLN 35 -6.593 -11.672 9.678 213 H CYS 36 H CYS 36 -6.387 -5.578 4.399 214 HA CYS 36 HA CYS 36 -6.200 -3.318 4.966 215 HB2 CYS 36 2HB CYS 36 -7.894 -4.422 7.135 216 HB3 CYS 36 1HB CYS 36 -7.064 -2.920 7.488 217 H LYS 37 H LYS 37 -4.191 -5.519 5.877 218 HA LYS 37 HA LYS 37 -2.766 -3.717 7.787 219 HB2 LYS 37 2HB LYS 37 -1.998 -5.520 9.066 220 HB3 LYS 37 1HB LYS 37 -3.650 -5.998 8.689 221 HG2 LYS 37 2HG LYS 37 -2.892 -7.454 6.914 222 HG3 LYS 37 1HG LYS 37 -1.240 -6.857 7.063 223 HD2 LYS 37 2HD LYS 37 -1.543 -9.049 8.195 224 HD3 LYS 37 1HD LYS 37 -1.084 -7.777 9.327 225 HE2 LYS 37 2HE LYS 37 -2.964 -8.118 10.512 226 HE3 LYS 37 1HE LYS 37 -3.944 -7.803 9.080 227 HZ1 LYS 37 3HZ LYS 37 -4.454 -9.978 9.752 228 HZ2 LYS 37 1HZ LYS 37 -2.827 -10.388 9.990 229 HZ3 LYS 37 2HZ LYS 37 -3.422 -10.157 8.416 230 H PHE 38 H PHE 38 -0.294 -4.431 7.781 231 HA PHE 38 HA PHE 38 0.622 -3.993 5.046 232 HB2 PHE 38 2HB PHE 38 1.919 -4.240 7.742 233 HB3 PHE 38 1HB PHE 38 2.914 -4.355 6.296 234 HD1 PHE 38 2HD PHE 38 0.469 -2.311 5.085 235 HD2 PHE 38 1HD PHE 38 3.551 -2.232 8.083 236 HE1 PHE 38 2HE PHE 38 0.548 0.152 4.944 237 HE2 PHE 38 1HE PHE 38 3.618 0.240 7.938 238 HZ PHE 38 HZ PHE 38 2.118 1.432 6.369 239 H SER 39 H SER 39 1.174 -5.544 3.617 240 HA SER 39 HA SER 39 0.912 -8.333 4.240 241 HB2 SER 39 2HB SER 39 2.436 -7.184 1.883 242 HB3 SER 39 1HB SER 39 1.605 -8.734 1.982 243 HG SER 39 HG SER 39 0.004 -7.635 1.164 244 H ARG 40 H ARG 40 3.764 -8.308 2.520 245 HA ARG 40 HA ARG 40 5.465 -8.264 4.958 246 HB2 ARG 40 2HB ARG 40 5.023 -10.586 3.086 247 HB3 ARG 40 1HB ARG 40 6.554 -10.411 3.946 248 HG2 ARG 40 2HG ARG 40 5.343 -10.335 6.095 249 HG3 ARG 40 1HG ARG 40 3.811 -10.509 5.238 250 HD2 ARG 40 2HD ARG 40 5.630 -12.569 4.373 251 HD3 ARG 40 1HD ARG 40 5.523 -12.581 6.134 252 HE ARG 40 HE ARG 40 2.880 -12.376 5.193 253 HH11 ARG 40 1HH2 ARG 40 5.249 -14.606 6.055 254 HH12 ARG 40 2HH2 ARG 40 4.426 -15.988 5.412 255 HH21 ARG 40 1HH1 ARG 40 1.935 -14.124 3.882 256 HH22 ARG 40 2HH1 ARG 40 2.550 -15.715 4.182 257 H ALA 41 H ALA 41 7.755 -8.014 4.444 258 HA ALA 41 HA ALA 41 8.213 -6.312 2.151 259 HB1 ALA 41 1HB ALA 41 10.315 -5.931 3.059 260 HB2 ALA 41 2HB ALA 41 10.480 -7.590 3.635 261 HB3 ALA 41 3HB ALA 41 9.443 -6.454 4.499 262 H GLY 42 H GLY 42 9.977 -6.798 0.530 263 HA2 GLY 42 2HA GLY 42 10.917 -8.203 -1.110 264 HA3 GLY 42 1HA GLY 42 10.716 -9.549 0.016 265 H LYS 43 H LYS 43 7.952 -7.595 -0.623 266 HA LYS 43 HA LYS 43 6.693 -9.893 -2.024 267 HB2 LYS 43 2HB LYS 43 5.337 -9.156 -0.247 268 HB3 LYS 43 1HB LYS 43 5.655 -7.458 -0.584 269 HG2 LYS 43 2HG LYS 43 3.403 -7.948 -1.315 270 HG3 LYS 43 1HG LYS 43 4.397 -7.732 -2.751 271 HD2 LYS 43 2HD LYS 43 4.623 -10.152 -3.007 272 HD3 LYS 43 1HD LYS 43 3.734 -10.416 -1.506 273 HE2 LYS 43 2HE LYS 43 2.199 -8.695 -3.231 274 HE3 LYS 43 1HE LYS 43 2.663 -10.147 -4.116 275 HZ1 LYS 43 3HZ LYS 43 1.704 -11.515 -2.468 276 HZ2 LYS 43 1HZ LYS 43 0.554 -10.316 -2.811 277 HZ3 LYS 43 2HZ LYS 43 1.489 -10.216 -1.396 278 H ILE 44 H ILE 44 6.702 -9.861 -4.206 279 HA ILE 44 HA ILE 44 7.468 -7.635 -5.799 280 HB ILE 44 HB ILE 44 7.559 -9.934 -6.645 281 HG12 ILE 44 2HG1 ILE 44 6.497 -9.543 -8.856 282 HG13 ILE 44 1HG1 ILE 44 5.604 -8.185 -8.172 283 HG21 ILE 44 1HG2 ILE 44 5.270 -10.429 -5.428 284 HG22 ILE 44 2HG2 ILE 44 5.694 -11.308 -6.897 285 HG23 ILE 44 3HG2 ILE 44 4.576 -9.946 -6.975 286 HD11 ILE 44 3HD1 ILE 44 8.313 -7.778 -7.470 287 HD12 ILE 44 1HD1 ILE 44 7.360 -6.856 -8.632 288 HD13 ILE 44 2HD1 ILE 44 8.308 -8.242 -9.171 289 H CYS 45 H CYS 45 6.149 -5.898 -4.886 290 HA CYS 45 HA CYS 45 3.252 -5.948 -5.159 291 HB2 CYS 45 2HB CYS 45 3.463 -3.499 -4.658 292 HB3 CYS 45 1HB CYS 45 4.247 -4.527 -3.462 293 H ARG 46 H ARG 46 5.942 -5.013 -7.187 294 HA ARG 46 HA ARG 46 3.957 -4.176 -9.258 295 HB2 ARG 46 2HB ARG 46 5.481 -2.344 -8.123 296 HB3 ARG 46 1HB ARG 46 6.709 -2.987 -9.215 297 HG2 ARG 46 2HG ARG 46 4.724 -2.769 -10.984 298 HG3 ARG 46 1HG ARG 46 4.179 -1.529 -9.853 299 HD2 ARG 46 2HD ARG 46 5.635 -0.129 -10.859 300 HD3 ARG 46 1HD ARG 46 6.922 -1.067 -10.103 301 HE ARG 46 HE ARG 46 5.874 -1.983 -12.731 302 HH11 ARG 46 1HH2 ARG 46 8.449 -2.700 -11.048 303 HH12 ARG 46 2HH2 ARG 46 9.656 -2.013 -12.082 304 HH21 ARG 46 1HH1 ARG 46 7.385 -0.188 -13.962 305 HH22 ARG 46 2HH1 ARG 46 9.054 -0.590 -13.731 306 H ILE 47 H ILE 47 3.994 -5.878 -10.660 307 HA ILE 47 HA ILE 47 6.442 -7.385 -11.190 308 HB ILE 47 HB ILE 47 4.267 -8.519 -11.281 309 HG12 ILE 47 2HG1 ILE 47 4.559 -9.674 -13.370 310 HG13 ILE 47 1HG1 ILE 47 5.346 -8.276 -14.103 311 HG21 ILE 47 1HG2 ILE 47 2.485 -7.466 -12.156 312 HG22 ILE 47 2HG2 ILE 47 3.237 -7.522 -13.751 313 HG23 ILE 47 3HG2 ILE 47 3.522 -6.143 -12.689 314 HD11 ILE 47 3HD1 ILE 47 6.444 -9.820 -11.735 315 HD12 ILE 47 1HD1 ILE 47 7.244 -8.498 -12.586 316 HD13 ILE 47 2HD1 ILE 47 6.973 -10.037 -13.403 317 H ALA 48 H ALA 48 7.995 -6.617 -12.546 318 HA ALA 48 HA ALA 48 7.908 -4.265 -14.013 319 HB1 ALA 48 1HB ALA 48 9.598 -6.637 -13.985 320 HB2 ALA 48 2HB ALA 48 10.044 -4.954 -14.263 321 HB3 ALA 48 3HB ALA 48 9.479 -5.949 -15.605 322 H ARG 49 H ARG 49 6.431 -3.673 -15.511 323 HA ARG 49 HA ARG 49 4.899 -5.591 -17.045 324 HB2 ARG 49 2HB ARG 49 5.211 -2.619 -17.562 325 HB3 ARG 49 1HB ARG 49 3.886 -3.656 -18.094 326 HG2 ARG 49 2HG ARG 49 4.583 -3.214 -15.180 327 HG3 ARG 49 1HG ARG 49 3.374 -2.264 -16.044 328 HD2 ARG 49 2HD ARG 49 3.075 -5.174 -16.378 329 HD3 ARG 49 1HD ARG 49 2.850 -4.613 -14.721 330 HE ARG 49 HE ARG 49 1.222 -3.732 -17.059 331 HH11 ARG 49 1HH2 ARG 49 1.879 -2.124 -14.354 332 HH12 ARG 49 2HH2 ARG 49 0.339 -2.297 -13.583 333 HH21 ARG 49 1HH1 ARG 49 -0.783 -4.736 -15.776 334 HH22 ARG 49 2HH1 ARG 49 -1.167 -3.775 -14.386 335 H GLY 50 H GLY 50 6.984 -6.664 -17.874 336 HA2 GLY 50 2HA GLY 50 7.382 -6.711 -20.495 337 HA3 GLY 50 1HA GLY 50 8.202 -5.191 -20.145 338 H ASP 51 H ASP 51 10.270 -5.272 -19.317 339 HA ASP 51 HA ASP 51 11.302 -7.739 -18.106 340 HB2 ASP 51 2HB ASP 51 11.548 -7.388 -20.887 341 HB3 ASP 51 1HB ASP 51 13.129 -6.980 -20.222 342 H TRP 52 H TRP 52 11.261 -5.729 -16.553 343 HA TRP 52 HA TRP 52 13.961 -4.461 -16.732 344 HB2 TRP 52 2HB TRP 52 12.150 -2.782 -15.240 345 HB3 TRP 52 1HB TRP 52 13.097 -2.382 -16.670 346 HD1 TRP 52 HD TRP 52 9.672 -3.686 -15.609 347 HE1 TRP 52 1HE TRP 52 8.024 -3.402 -17.567 348 HE3 TRP 52 3HE TRP 52 12.900 -2.162 -19.245 349 HZ2 TRP 52 2HZ TRP 52 8.070 -2.622 -20.316 350 HZ3 TRP 52 3HZ TRP 52 12.076 -1.649 -21.528 351 HH2 TRP 52 HH TRP 52 9.666 -1.878 -22.066 352 H ASN 53 H ASN 53 13.643 -3.117 -14.180 353 HA ASN 53 HA ASN 53 14.345 -5.318 -12.437 354 HB2 ASN 53 2HB ASN 53 13.681 -2.470 -11.642 355 HB3 ASN 53 1HB ASN 53 14.653 -3.631 -10.735 356 HD21 ASN 53 1HD2 ASN 53 16.569 -2.240 -10.834 357 HD22 ASN 53 2HD2 ASN 53 17.431 -2.036 -12.283 358 H ASP 54 H ASP 54 13.213 -5.490 -10.209 359 HA ASP 54 HA ASP 54 10.248 -5.341 -10.606 360 HB2 ASP 54 2HB ASP 54 10.363 -7.344 -8.884 361 HB3 ASP 54 1HB ASP 54 10.618 -7.642 -10.604 362 H ASP 55 H ASP 55 9.019 -4.748 -8.750 363 HA ASP 55 HA ASP 55 10.642 -3.418 -6.631 364 HB2 ASP 55 2HB ASP 55 8.800 -2.227 -8.078 365 HB3 ASP 55 1HB ASP 55 7.681 -3.025 -6.972 366 H ARG 56 H ARG 56 10.546 -4.157 -4.549 367 HA ARG 56 HA ARG 56 8.485 -6.238 -3.922 368 HB2 ARG 56 2HB ARG 56 11.262 -6.081 -2.728 369 HB3 ARG 56 1HB ARG 56 10.098 -7.397 -2.575 370 HG2 ARG 56 2HG ARG 56 10.435 -6.979 -5.347 371 HG3 ARG 56 1HG ARG 56 12.055 -6.955 -4.649 372 HD2 ARG 56 2HD ARG 56 11.518 -9.085 -3.450 373 HD3 ARG 56 1HD ARG 56 9.972 -9.130 -4.300 374 HE ARG 56 HE ARG 56 12.602 -9.226 -5.726 375 HH11 ARG 56 1HH2 ARG 56 9.380 -9.065 -6.406 376 HH12 ARG 56 2HH2 ARG 56 9.280 -10.557 -7.279 377 HH21 ARG 56 1HH1 ARG 56 12.452 -11.615 -6.366 378 HH22 ARG 56 2HH1 ARG 56 11.017 -12.000 -7.258 379 H CYS 57 H CYS 57 7.117 -5.575 -2.355 380 HA CYS 57 HA CYS 57 7.279 -3.138 -0.970 381 HB2 CYS 57 2HB CYS 57 5.729 -5.620 -0.705 382 HB3 CYS 57 1HB CYS 57 5.946 -4.764 0.818 383 H THR 58 H THR 58 7.912 -2.649 1.213 384 HA THR 58 HA THR 58 10.218 -4.271 2.121 385 HB THR 58 HB THR 58 10.927 -2.361 3.307 386 HG1 THR 58 1HG THR 58 9.561 -1.087 4.269 387 HG21 THR 58 3HG2 THR 58 9.430 -1.536 0.817 388 HG22 THR 58 1HG2 THR 58 11.156 -1.851 0.994 389 HG23 THR 58 2HG2 THR 58 10.444 -0.411 1.721 390 H GLY 59 H GLY 59 7.120 -4.691 2.540 391 HA2 GLY 59 2HA GLY 59 6.011 -5.953 4.211 392 HA3 GLY 59 1HA GLY 59 7.435 -5.788 5.237 393 H GLN 60 H GLN 60 7.765 -3.126 5.539 394 HA GLN 60 HA GLN 60 5.403 -2.390 7.130 395 HB2 GLN 60 2HB GLN 60 7.879 -0.706 6.755 396 HB3 GLN 60 1HB GLN 60 6.778 -0.745 8.132 397 HG2 GLN 60 2HG GLN 60 7.588 -2.841 8.870 398 HG3 GLN 60 1HG GLN 60 8.352 -3.187 7.319 399 HE21 GLN 60 1HE2 GLN 60 9.051 -2.169 10.445 400 HE22 GLN 60 2HE2 GLN 60 10.518 -1.370 10.140 401 H SER 61 H SER 61 6.045 -2.119 3.944 402 HA SER 61 HA SER 61 4.946 0.651 3.737 403 HB2 SER 61 2HB SER 61 5.991 -0.943 1.408 404 HB3 SER 61 1HB SER 61 5.907 0.805 1.601 405 HG SER 61 HG SER 61 7.666 0.767 2.835 406 H ALA 62 H ALA 62 3.182 1.011 2.219 407 HA ALA 62 HA ALA 62 1.574 -1.453 1.668 408 HB1 ALA 62 1HB ALA 62 0.836 1.087 3.022 409 HB2 ALA 62 2HB ALA 62 0.169 -0.532 3.226 410 HB3 ALA 62 3HB ALA 62 -0.338 0.463 1.862 411 H ASP 63 H ASP 63 2.064 1.967 0.740 412 HA ASP 63 HA ASP 63 0.841 1.503 -1.889 413 HB2 ASP 63 2HB ASP 63 2.293 3.883 -0.690 414 HB3 ASP 63 1HB ASP 63 1.590 3.876 -2.308 415 H CYS 64 H CYS 64 2.144 0.000 -2.966 416 HA CYS 64 HA CYS 64 4.976 -0.055 -2.980 417 HB2 CYS 64 2HB CYS 64 3.643 -1.915 -3.816 418 HB3 CYS 64 1HB CYS 64 3.030 -0.920 -5.135 419 HA PRO 65 HA PRO 65 5.779 3.562 -5.362 420 HB2 PRO 65 2HB PRO 65 8.496 3.294 -5.200 421 HB3 PRO 65 1HB PRO 65 7.513 3.954 -3.892 422 HG2 PRO 65 2HG PRO 65 8.872 1.321 -4.098 423 HG3 PRO 65 1HG PRO 65 8.358 2.206 -2.652 424 HD2 PRO 65 2HD PRO 65 7.025 -0.002 -3.849 425 HD3 PRO 65 1HD PRO 65 6.407 1.032 -2.545 426 H ARG 66 H ARG 66 6.912 4.033 -7.443 427 HA ARG 66 HA ARG 66 7.580 1.569 -9.001 428 HB2 ARG 66 2HB ARG 66 6.562 2.934 -10.981 429 HB3 ARG 66 1HB ARG 66 5.467 2.104 -9.875 430 HG2 ARG 66 2HG ARG 66 4.771 4.067 -8.866 431 HG3 ARG 66 1HG ARG 66 6.285 4.903 -9.213 432 HD2 ARG 66 2HD ARG 66 4.414 5.765 -10.602 433 HD3 ARG 66 1HD ARG 66 5.690 5.049 -11.587 434 HE ARG 66 HE ARG 66 4.106 2.926 -11.414 435 HH11 ARG 66 1HH1 ARG 66 2.256 5.370 -10.385 436 HH12 ARG 66 2HH1 ARG 66 1.192 5.454 -11.749 437 HH21 ARG 66 1HH2 ARG 66 3.154 3.404 -13.742 438 HH22 ARG 66 2HH2 ARG 66 1.700 4.341 -13.649 439 H TYR 67 H TYR 67 8.841 2.180 -11.047 440 HA TYR 67 HA TYR 67 10.591 4.542 -10.485 441 HB2 TYR 67 2HB TYR 67 11.508 1.978 -11.802 442 HB3 TYR 67 1HB TYR 67 12.507 3.294 -11.185 443 HD1 TYR 67 2HD TYR 67 11.524 3.912 -8.582 444 HD2 TYR 67 1HD TYR 67 11.781 0.070 -10.487 445 HE1 TYR 67 2HE TYR 67 11.606 2.816 -6.359 446 HE2 TYR 67 1HE TYR 67 11.863 -1.026 -8.264 447 HH TYR 67 HH TYR 67 11.067 -0.421 -5.886 448 H HIS 68 H HIS 68 8.962 2.554 -12.886 449 HA HIS 68 HA HIS 68 9.911 4.340 -15.060 450 HB2 HIS 68 2HB HIS 68 9.121 1.587 -14.903 451 HB3 HIS 68 1HB HIS 68 8.039 2.419 -16.021 452 HD1 HIS 68 1HD HIS 68 9.007 3.220 -18.239 453 HD2 HIS 68 2HD HIS 68 11.919 1.712 -15.664 454 HE1 HIS 68 1HE HIS 68 11.139 3.042 -19.594 Start of MODEL 19 1 H GLY 1 1HT GLY 1 3.724 16.919 8.482 2 HA2 GLY 1 1HA GLY 1 1.549 16.375 9.567 3 HA3 GLY 1 2HA GLY 1 1.447 17.012 7.925 4 H LYS 2 H LYS 2 0.675 14.372 9.953 5 HA LYS 2 HA LYS 2 -0.226 12.816 7.560 6 HB2 LYS 2 2HB LYS 2 0.576 11.629 10.230 7 HB3 LYS 2 1HB LYS 2 0.235 10.764 8.730 8 HG2 LYS 2 2HG LYS 2 2.322 11.109 7.935 9 HG3 LYS 2 1HG LYS 2 2.302 12.809 8.404 10 HD2 LYS 2 2HD LYS 2 3.575 12.364 10.202 11 HD3 LYS 2 1HD LYS 2 2.400 11.178 10.772 12 HE2 LYS 2 2HE LYS 2 3.814 9.516 10.234 13 HE3 LYS 2 1HE LYS 2 3.785 10.039 8.550 14 HZ1 LYS 2 3HZ LYS 2 6.028 10.037 9.546 15 HZ2 LYS 2 1HZ LYS 2 5.522 11.231 10.639 16 HZ3 LYS 2 2HZ LYS 2 5.555 11.564 8.974 17 H GLU 3 H GLU 3 -2.334 13.748 7.664 18 HA GLU 3 HA GLU 3 -3.877 13.051 10.129 19 HB2 GLU 3 2HB GLU 3 -3.660 15.511 8.706 20 HB3 GLU 3 1HB GLU 3 -5.298 14.900 8.463 21 HG2 GLU 3 2HG GLU 3 -5.726 14.806 10.798 22 HG3 GLU 3 1HG GLU 3 -4.016 14.974 11.197 23 H CYS 4 H CYS 4 -3.495 12.444 6.783 24 HA CYS 4 HA CYS 4 -6.042 10.892 6.849 25 HB2 CYS 4 2HB CYS 4 -6.429 12.853 5.443 26 HB3 CYS 4 1HB CYS 4 -4.965 12.509 4.520 27 H ASP 5 H ASP 5 -5.845 8.803 6.111 28 HA ASP 5 HA ASP 5 -3.146 8.000 5.110 29 HB2 ASP 5 2HB ASP 5 -4.028 7.022 7.301 30 HB3 ASP 5 1HB ASP 5 -5.239 6.184 6.329 31 H CYS 6 H CYS 6 -6.517 8.146 4.344 32 HA CYS 6 HA CYS 6 -6.005 6.506 1.891 33 HB2 CYS 6 2HB CYS 6 -8.434 6.036 1.869 34 HB3 CYS 6 1HB CYS 6 -7.692 5.482 3.369 35 H SER 7 H SER 7 -6.123 7.633 0.006 36 HA SER 7 HA SER 7 -6.813 10.460 0.047 37 HB2 SER 7 2HB SER 7 -6.242 8.634 -2.306 38 HB3 SER 7 1HB SER 7 -6.283 10.394 -2.352 39 HG SER 7 HG SER 7 -4.655 10.084 -0.517 40 H SER 8 H SER 8 -8.736 7.764 0.040 41 HA SER 8 HA SER 8 -10.836 9.166 -1.563 42 HB2 SER 8 2HB SER 8 -11.431 6.376 -1.173 43 HB3 SER 8 1HB SER 8 -11.206 7.253 -2.684 44 HG SER 8 HG SER 8 -9.657 5.580 -2.389 45 HA PRO 9 HA PRO 9 -12.856 9.252 2.408 46 HB2 PRO 9 2HB PRO 9 -15.112 10.556 1.531 47 HB3 PRO 9 1HB PRO 9 -13.575 11.374 1.864 48 HG2 PRO 9 2HG PRO 9 -14.820 10.716 -0.764 49 HG3 PRO 9 1HG PRO 9 -13.682 12.009 -0.355 50 HD2 PRO 9 2HD PRO 9 -13.036 9.578 -1.657 51 HD3 PRO 9 1HD PRO 9 -11.878 10.730 -0.956 52 H GLU 10 H GLU 10 -13.568 7.353 -0.207 53 HA GLU 10 HA GLU 10 -16.117 6.322 0.953 54 HB2 GLU 10 2HB GLU 10 -15.298 6.792 -1.711 55 HB3 GLU 10 1HB GLU 10 -15.325 5.038 -1.517 56 HG2 GLU 10 2HG GLU 10 -17.571 5.044 -1.598 57 HG3 GLU 10 1HG GLU 10 -17.631 6.133 -0.212 58 H ASN 11 H ASN 11 -13.360 5.870 2.000 59 HA ASN 11 HA ASN 11 -13.113 2.934 1.552 60 HB2 ASN 11 2HB ASN 11 -11.171 4.757 1.317 61 HB3 ASN 11 1HB ASN 11 -11.047 4.478 3.053 62 HD21 ASN 11 1HD2 ASN 11 -8.836 3.624 1.859 63 HD22 ASN 11 2HD2 ASN 11 -8.823 1.949 1.591 64 HA PRO 12 HA PRO 12 -14.857 2.709 5.666 65 HB2 PRO 12 2HB PRO 12 -15.026 -0.034 5.710 66 HB3 PRO 12 1HB PRO 12 -16.202 1.009 4.889 67 HG2 PRO 12 2HG PRO 12 -14.057 -0.694 3.708 68 HG3 PRO 12 1HG PRO 12 -15.588 -0.161 2.993 69 HD2 PRO 12 2HD PRO 12 -13.036 0.947 2.465 70 HD3 PRO 12 1HD PRO 12 -14.600 1.667 2.025 71 H CYS 13 H CYS 13 -11.771 1.913 4.669 72 HA CYS 13 HA CYS 13 -11.018 0.559 7.194 73 HB2 CYS 13 2HB CYS 13 -10.146 -0.101 4.849 74 HB3 CYS 13 1HB CYS 13 -9.132 1.338 4.971 75 H CYS 14 H CYS 14 -11.245 3.707 5.947 76 HA CYS 14 HA CYS 14 -9.394 4.673 8.087 77 HB2 CYS 14 2HB CYS 14 -8.747 6.540 6.627 78 HB3 CYS 14 1HB CYS 14 -8.368 4.999 5.858 79 H ASP 15 H ASP 15 -10.390 6.003 9.509 80 HA ASP 15 HA ASP 15 -13.158 6.667 9.326 81 HB2 ASP 15 2HB ASP 15 -11.483 6.654 11.376 82 HB3 ASP 15 1HB ASP 15 -11.275 8.349 10.943 83 H ALA 16 H ALA 16 -14.180 8.402 8.403 84 HA ALA 16 HA ALA 16 -12.659 10.143 6.632 85 HB1 ALA 16 1HB ALA 16 -15.390 9.358 6.957 86 HB2 ALA 16 2HB ALA 16 -14.667 10.256 5.623 87 HB3 ALA 16 3HB ALA 16 -15.316 11.119 7.017 88 H ALA 17 H ALA 17 -14.163 10.429 9.812 89 HA ALA 17 HA ALA 17 -14.223 13.206 10.152 90 HB1 ALA 17 1HB ALA 17 -13.373 11.085 12.148 91 HB2 ALA 17 2HB ALA 17 -15.009 11.692 11.898 92 HB3 ALA 17 3HB ALA 17 -13.769 12.749 12.571 93 H THR 18 H THR 18 -11.450 11.015 10.273 94 HA THR 18 HA THR 18 -9.681 13.421 10.449 95 HB THR 18 HB THR 18 -9.423 11.979 12.414 96 HG1 THR 18 1HG THR 18 -7.561 12.898 11.190 97 HG21 THR 18 3HG2 THR 18 -9.889 9.921 10.529 98 HG22 THR 18 1HG2 THR 18 -9.623 9.746 12.263 99 HG23 THR 18 2HG2 THR 18 -8.258 9.669 11.149 100 H CYS 19 H CYS 19 -10.532 10.549 8.702 101 HA CYS 19 HA CYS 19 -9.982 10.037 6.450 102 HB2 CYS 19 2HB CYS 19 -9.270 12.569 6.405 103 HB3 CYS 19 1HB CYS 19 -7.639 11.915 6.538 104 H LYS 20 H LYS 20 -8.689 9.096 9.090 105 HA LYS 20 HA LYS 20 -6.304 7.814 7.798 106 HB2 LYS 20 2HB LYS 20 -6.677 8.444 10.742 107 HB3 LYS 20 1HB LYS 20 -5.256 7.701 10.006 108 HG2 LYS 20 2HG LYS 20 -5.745 10.060 8.531 109 HG3 LYS 20 1HG LYS 20 -5.917 10.505 10.230 110 HD2 LYS 20 2HD LYS 20 -3.538 9.193 8.898 111 HD3 LYS 20 1HD LYS 20 -3.594 10.763 9.699 112 HE2 LYS 20 2HE LYS 20 -4.524 8.806 11.557 113 HE3 LYS 20 1HE LYS 20 -3.018 8.213 10.857 114 HZ1 LYS 20 3HZ LYS 20 -1.926 10.236 11.444 115 HZ2 LYS 20 1HZ LYS 20 -2.705 9.645 12.830 116 HZ3 LYS 20 2HZ LYS 20 -3.381 10.943 11.965 117 H LEU 21 H LEU 21 -5.731 5.727 9.209 118 HA LEU 21 HA LEU 21 -7.906 3.889 8.851 119 HB2 LEU 21 2HB LEU 21 -5.246 3.665 10.270 120 HB3 LEU 21 1HB LEU 21 -6.371 2.312 10.130 121 HG LEU 21 HG LEU 21 -5.943 3.696 7.587 122 HD11 LEU 21 1HD1 LEU 21 -3.684 3.939 8.719 123 HD12 LEU 21 2HD1 LEU 21 -3.670 3.025 7.212 124 HD13 LEU 21 3HD1 LEU 21 -3.599 2.177 8.756 125 HD21 LEU 21 3HD2 LEU 21 -6.399 1.612 6.830 126 HD22 LEU 21 1HD2 LEU 21 -6.749 1.203 8.509 127 HD23 LEU 21 2HD2 LEU 21 -5.147 0.889 7.841 128 H ARG 22 H ARG 22 -9.552 3.400 10.240 129 HA ARG 22 HA ARG 22 -9.555 4.699 12.885 130 HB2 ARG 22 2HB ARG 22 -11.675 4.979 12.115 131 HB3 ARG 22 1HB ARG 22 -11.587 3.586 11.049 132 HG2 ARG 22 2HG ARG 22 -13.255 3.274 12.870 133 HG3 ARG 22 1HG ARG 22 -11.959 2.080 12.953 134 HD2 ARG 22 2HD ARG 22 -11.272 2.829 14.970 135 HD3 ARG 22 1HD ARG 22 -11.300 4.508 14.430 136 HE ARG 22 HE ARG 22 -13.722 4.546 14.988 137 HH11 ARG 22 1HH1 ARG 22 -11.754 3.431 17.261 138 HH12 ARG 22 2HH1 ARG 22 -12.846 2.319 18.016 139 HH21 ARG 22 1HH2 ARG 22 -15.172 2.449 15.448 140 HH22 ARG 22 2HH2 ARG 22 -14.780 1.764 16.990 141 HA PRO 23 HA PRO 23 -9.993 0.196 14.350 142 HB2 PRO 23 2HB PRO 23 -9.918 -1.810 12.471 143 HB3 PRO 23 1HB PRO 23 -11.411 -1.014 12.998 144 HG2 PRO 23 2HG PRO 23 -9.904 -0.675 10.447 145 HG3 PRO 23 1HG PRO 23 -11.631 -0.450 10.768 146 HD2 PRO 23 2HD PRO 23 -9.720 1.612 10.530 147 HD3 PRO 23 1HD PRO 23 -11.355 1.781 11.200 148 H GLY 24 H GLY 24 -8.471 -1.919 14.305 149 HA2 GLY 24 2HA GLY 24 -5.755 -0.952 14.286 150 HA3 GLY 24 1HA GLY 24 -6.241 -2.629 14.535 151 H ALA 25 H ALA 25 -6.351 -0.273 11.835 152 HA ALA 25 HA ALA 25 -5.377 -2.469 10.061 153 HB1 ALA 25 1HB ALA 25 -7.377 -1.892 9.067 154 HB2 ALA 25 2HB ALA 25 -6.339 -0.693 8.298 155 HB3 ALA 25 3HB ALA 25 -7.330 -0.241 9.685 156 H GLN 26 H GLN 26 -3.288 -2.207 9.425 157 HA GLN 26 HA GLN 26 -1.878 0.287 9.920 158 HB2 GLN 26 2HB GLN 26 -1.207 -2.449 9.309 159 HB3 GLN 26 1HB GLN 26 -0.334 -1.372 8.218 160 HG2 GLN 26 2HG GLN 26 1.120 -1.021 9.907 161 HG3 GLN 26 1HG GLN 26 -0.164 -0.116 10.708 162 HE21 GLN 26 1HE2 GLN 26 1.930 -1.883 11.956 163 HE22 GLN 26 2HE2 GLN 26 1.066 -3.061 12.821 164 H CYS 27 H CYS 27 -3.978 -0.563 7.497 165 HA CYS 27 HA CYS 27 -3.181 1.651 5.818 166 HB2 CYS 27 2HB CYS 27 -2.573 0.332 3.818 167 HB3 CYS 27 1HB CYS 27 -1.441 0.054 5.143 168 H GLY 28 H GLY 28 -4.812 2.175 4.339 169 HA2 GLY 28 2HA GLY 28 -7.274 0.513 4.552 170 HA3 GLY 28 1HA GLY 28 -7.249 2.224 4.141 171 H GLU 29 H GLU 29 -4.940 1.820 2.305 172 HA GLU 29 HA GLU 29 -6.089 0.073 0.215 173 HB2 GLU 29 2HB GLU 29 -6.431 1.761 -1.369 174 HB3 GLU 29 1HB GLU 29 -7.023 2.505 0.109 175 HG2 GLU 29 2HG GLU 29 -5.624 4.214 -0.412 176 HG3 GLU 29 1HG GLU 29 -4.349 3.151 0.183 177 H GLY 30 H GLY 30 -4.524 0.256 -1.814 178 HA2 GLY 30 2HA GLY 30 -2.095 0.963 -2.289 179 HA3 GLY 30 1HA GLY 30 -1.740 0.238 -0.721 180 H LEU 31 H LEU 31 -0.440 -0.735 -2.973 181 HA LEU 31 HA LEU 31 -1.879 -3.050 -4.035 182 HB2 LEU 31 2HB LEU 31 1.080 -2.407 -4.208 183 HB3 LEU 31 1HB LEU 31 0.183 -3.533 -5.227 184 HG LEU 31 HG LEU 31 -0.171 -0.527 -5.088 185 HD11 LEU 31 1HD1 LEU 31 0.161 -1.506 -7.725 186 HD12 LEU 31 2HD1 LEU 31 1.385 -2.308 -6.738 187 HD13 LEU 31 3HD1 LEU 31 1.306 -0.547 -6.786 188 HD21 LEU 31 3HD2 LEU 31 -2.334 -0.986 -5.609 189 HD22 LEU 31 1HD2 LEU 31 -1.981 -2.682 -5.940 190 HD23 LEU 31 2HD2 LEU 31 -1.705 -1.464 -7.186 191 H CYS 32 H CYS 32 0.578 -2.443 -1.555 192 HA CYS 32 HA CYS 32 0.777 -5.339 -0.980 193 HB2 CYS 32 2HB CYS 32 2.074 -3.018 0.478 194 HB3 CYS 32 1HB CYS 32 2.509 -4.720 0.605 195 H CYS 33 H CYS 33 -1.294 -2.840 -0.144 196 HA CYS 33 HA CYS 33 -1.620 -3.544 2.668 197 HB2 CYS 33 2HB CYS 33 -2.151 -1.272 1.895 198 HB3 CYS 33 1HB CYS 33 -3.416 -1.911 0.849 199 H GLU 34 H GLU 34 -2.245 -5.654 2.948 200 HA GLU 34 HA GLU 34 -4.701 -6.556 1.494 201 HB2 GLU 34 2HB GLU 34 -2.335 -8.066 2.616 202 HB3 GLU 34 1HB GLU 34 -3.865 -8.876 2.285 203 HG2 GLU 34 2HG GLU 34 -2.869 -7.142 0.105 204 HG3 GLU 34 1HG GLU 34 -1.889 -8.572 0.434 205 H GLN 35 H GLN 35 -6.501 -6.912 2.763 206 HA GLN 35 HA GLN 35 -7.816 -7.049 4.709 207 HB2 GLN 35 2HB GLN 35 -5.621 -8.790 5.091 208 HB3 GLN 35 1HB GLN 35 -5.774 -7.873 6.589 209 HG2 GLN 35 2HG GLN 35 -8.326 -8.394 6.351 210 HG3 GLN 35 1HG GLN 35 -7.785 -9.680 5.271 211 HE21 GLN 35 1HE2 GLN 35 -8.021 -11.538 6.574 212 HE22 GLN 35 2HE2 GLN 35 -7.295 -11.728 8.096 213 H CYS 36 H CYS 36 -6.145 -4.681 4.026 214 HA CYS 36 HA CYS 36 -5.692 -2.582 4.952 215 HB2 CYS 36 2HB CYS 36 -7.418 -3.820 7.088 216 HB3 CYS 36 1HB CYS 36 -6.627 -2.273 7.357 217 H LYS 37 H LYS 37 -3.772 -4.758 5.202 218 HA LYS 37 HA LYS 37 -2.335 -3.764 7.623 219 HB2 LYS 37 2HB LYS 37 -3.095 -6.527 6.924 220 HB3 LYS 37 1HB LYS 37 -1.395 -6.330 7.352 221 HG2 LYS 37 2HG LYS 37 -1.861 -5.804 9.525 222 HG3 LYS 37 1HG LYS 37 -3.321 -4.909 9.098 223 HD2 LYS 37 2HD LYS 37 -4.067 -7.443 8.421 224 HD3 LYS 37 1HD LYS 37 -2.996 -7.767 9.784 225 HE2 LYS 37 2HE LYS 37 -4.291 -6.453 11.266 226 HE3 LYS 37 1HE LYS 37 -5.138 -5.648 9.945 227 HZ1 LYS 37 3HZ LYS 37 -6.229 -7.615 11.266 228 HZ2 LYS 37 1HZ LYS 37 -5.360 -8.558 10.156 229 HZ3 LYS 37 2HZ LYS 37 -6.494 -7.421 9.600 230 H PHE 38 H PHE 38 0.020 -3.897 7.419 231 HA PHE 38 HA PHE 38 0.901 -3.297 4.704 232 HB2 PHE 38 2HB PHE 38 2.268 -3.439 7.389 233 HB3 PHE 38 1HB PHE 38 3.193 -3.216 5.905 234 HD1 PHE 38 1HD PHE 38 1.346 -1.538 4.304 235 HD2 PHE 38 2HD PHE 38 2.372 -1.348 8.471 236 HE1 PHE 38 1HE PHE 38 0.795 0.879 4.330 237 HE2 PHE 38 2HE PHE 38 1.821 1.069 8.496 238 HZ PHE 38 HZ PHE 38 1.033 2.183 6.426 239 H SER 39 H SER 39 1.574 -4.814 3.269 240 HA SER 39 HA SER 39 1.768 -7.593 3.898 241 HB2 SER 39 2HB SER 39 2.092 -7.858 1.653 242 HB3 SER 39 1HB SER 39 1.679 -6.150 1.577 243 HG SER 39 HG SER 39 4.104 -7.423 1.251 244 H ARG 40 H ARG 40 3.857 -8.884 3.571 245 HA ARG 40 HA ARG 40 5.901 -7.776 5.341 246 HB2 ARG 40 2HB ARG 40 5.153 -10.383 4.357 247 HB3 ARG 40 1HB ARG 40 6.876 -10.121 4.078 248 HG2 ARG 40 2HG ARG 40 6.417 -11.108 6.322 249 HG3 ARG 40 1HG ARG 40 7.205 -9.532 6.425 250 HD2 ARG 40 2HD ARG 40 5.510 -9.047 7.869 251 HD3 ARG 40 1HD ARG 40 4.579 -8.790 6.394 252 HE ARG 40 HE ARG 40 4.580 -11.559 7.378 253 HH11 ARG 40 1HH1 ARG 40 3.292 -8.510 8.166 254 HH12 ARG 40 2HH1 ARG 40 1.651 -9.059 8.271 255 HH21 ARG 40 1HH2 ARG 40 2.371 -12.261 7.153 256 HH22 ARG 40 2HH2 ARG 40 1.131 -11.182 7.698 257 H ALA 41 H ALA 41 8.218 -7.676 4.645 258 HA ALA 41 HA ALA 41 8.456 -6.208 2.162 259 HB1 ALA 41 1HB ALA 41 9.874 -5.889 4.259 260 HB2 ALA 41 2HB ALA 41 10.766 -5.946 2.739 261 HB3 ALA 41 3HB ALA 41 10.730 -7.359 3.795 262 H GLY 42 H GLY 42 9.798 -6.881 0.302 263 HA2 GLY 42 2HA GLY 42 10.720 -8.538 -1.142 264 HA3 GLY 42 1HA GLY 42 10.458 -9.741 0.118 265 H LYS 43 H LYS 43 7.847 -7.593 -0.616 266 HA LYS 43 HA LYS 43 6.378 -9.912 -1.802 267 HB2 LYS 43 2HB LYS 43 5.138 -9.092 0.021 268 HB3 LYS 43 1HB LYS 43 5.511 -7.416 -0.357 269 HG2 LYS 43 2HG LYS 43 3.250 -7.676 -1.040 270 HG3 LYS 43 1HG LYS 43 4.153 -7.798 -2.535 271 HD2 LYS 43 2HD LYS 43 3.976 -10.177 -2.573 272 HD3 LYS 43 1HD LYS 43 3.404 -10.227 -0.904 273 HE2 LYS 43 2HE LYS 43 1.496 -10.524 -2.378 274 HE3 LYS 43 1HE LYS 43 1.376 -8.937 -1.619 275 HZ1 LYS 43 3HZ LYS 43 2.871 -8.944 -4.080 276 HZ2 LYS 43 1HZ LYS 43 1.632 -7.906 -3.567 277 HZ3 LYS 43 2HZ LYS 43 1.245 -9.402 -4.274 278 H ILE 44 H ILE 44 6.033 -9.918 -3.954 279 HA ILE 44 HA ILE 44 6.801 -7.754 -5.660 280 HB ILE 44 HB ILE 44 5.579 -10.411 -5.950 281 HG12 ILE 44 2HG1 ILE 44 7.891 -9.866 -6.569 282 HG13 ILE 44 1HG1 ILE 44 6.986 -10.386 -7.992 283 HG21 ILE 44 1HG2 ILE 44 3.705 -9.510 -7.015 284 HG22 ILE 44 2HG2 ILE 44 4.816 -9.716 -8.369 285 HG23 ILE 44 3HG2 ILE 44 4.601 -8.125 -7.639 286 HD11 ILE 44 3HD1 ILE 44 7.220 -8.377 -8.997 287 HD12 ILE 44 1HD1 ILE 44 8.428 -8.018 -7.762 288 HD13 ILE 44 2HD1 ILE 44 6.754 -7.512 -7.533 289 H CYS 45 H CYS 45 5.775 -5.815 -5.624 290 HA CYS 45 HA CYS 45 2.916 -5.667 -4.878 291 HB2 CYS 45 2HB CYS 45 4.292 -3.196 -5.766 292 HB3 CYS 45 1HB CYS 45 3.302 -3.470 -4.337 293 H ARG 46 H ARG 46 4.957 -5.572 -7.644 294 HA ARG 46 HA ARG 46 2.641 -5.577 -9.424 295 HB2 ARG 46 2HB ARG 46 3.249 -3.102 -8.840 296 HB3 ARG 46 1HB ARG 46 4.623 -3.367 -9.916 297 HG2 ARG 46 2HG ARG 46 3.247 -3.741 -11.784 298 HG3 ARG 46 1HG ARG 46 1.833 -4.091 -10.789 299 HD2 ARG 46 2HD ARG 46 1.251 -1.914 -10.702 300 HD3 ARG 46 1HD ARG 46 2.886 -1.430 -10.256 301 HE ARG 46 HE ARG 46 2.698 -2.116 -13.068 302 HH11 ARG 46 1HH1 ARG 46 3.699 0.263 -11.050 303 HH12 ARG 46 2HH1 ARG 46 3.121 1.599 -11.989 304 HH21 ARG 46 1HH2 ARG 46 1.255 -0.378 -14.143 305 HH22 ARG 46 2HH2 ARG 46 1.738 1.236 -13.740 306 H ILE 47 H ILE 47 3.253 -7.260 -10.703 307 HA ILE 47 HA ILE 47 6.010 -7.962 -11.186 308 HB ILE 47 HB ILE 47 4.054 -9.555 -11.282 309 HG12 ILE 47 2HG1 ILE 47 4.890 -10.683 -13.433 310 HG13 ILE 47 1HG1 ILE 47 5.966 -9.295 -13.611 311 HG21 ILE 47 1HG2 ILE 47 3.418 -9.110 -14.052 312 HG22 ILE 47 2HG2 ILE 47 3.127 -7.625 -13.146 313 HG23 ILE 47 3HG2 ILE 47 2.331 -9.122 -12.663 314 HD11 ILE 47 3HD1 ILE 47 6.733 -11.482 -12.287 315 HD12 ILE 47 1HD1 ILE 47 5.898 -10.674 -10.961 316 HD13 ILE 47 2HD1 ILE 47 7.243 -9.873 -11.774 317 H ALA 48 H ALA 48 7.238 -7.654 -13.113 318 HA ALA 48 HA ALA 48 6.138 -5.555 -14.941 319 HB1 ALA 48 1HB ALA 48 8.173 -4.461 -14.967 320 HB2 ALA 48 2HB ALA 48 9.088 -5.934 -14.646 321 HB3 ALA 48 3HB ALA 48 8.227 -5.127 -13.335 322 H ARG 49 H ARG 49 6.943 -5.678 -17.175 323 HA ARG 49 HA ARG 49 7.922 -8.388 -17.951 324 HB2 ARG 49 2HB ARG 49 6.340 -7.771 -20.067 325 HB3 ARG 49 1HB ARG 49 5.795 -8.753 -18.708 326 HG2 ARG 49 2HG ARG 49 5.571 -5.794 -18.418 327 HG3 ARG 49 1HG ARG 49 4.451 -6.577 -19.532 328 HD2 ARG 49 2HD ARG 49 4.095 -8.275 -17.570 329 HD3 ARG 49 1HD ARG 49 4.757 -6.981 -16.569 330 HE ARG 49 HE ARG 49 2.809 -5.692 -18.026 331 HH11 ARG 49 1HH2 ARG 49 2.743 -6.663 -15.052 332 HH12 ARG 49 2HH2 ARG 49 1.183 -7.414 -15.024 333 HH21 ARG 49 1HH1 ARG 49 0.864 -7.488 -18.477 334 HH22 ARG 49 2HH1 ARG 49 0.118 -7.881 -16.963 335 H GLY 50 H GLY 50 9.568 -8.299 -19.431 336 HA2 GLY 50 2HA GLY 50 10.244 -7.062 -21.599 337 HA3 GLY 50 1HA GLY 50 10.173 -5.615 -20.596 338 H ASP 51 H ASP 51 11.909 -5.150 -19.270 339 HA ASP 51 HA ASP 51 13.911 -7.172 -18.611 340 HB2 ASP 51 2HB ASP 51 14.208 -5.610 -21.011 341 HB3 ASP 51 1HB ASP 51 15.465 -5.156 -19.860 342 H TRP 52 H TRP 52 12.407 -5.647 -16.894 343 HA TRP 52 HA TRP 52 14.457 -3.767 -15.813 344 HB2 TRP 52 2HB TRP 52 12.175 -2.670 -14.835 345 HB3 TRP 52 1HB TRP 52 12.961 -2.121 -16.311 346 HD1 TRP 52 HD TRP 52 10.551 -5.077 -15.544 347 HE1 TRP 52 1HE TRP 52 8.685 -5.045 -17.319 348 HE3 TRP 52 3HE TRP 52 11.966 -0.983 -18.248 349 HZ2 TRP 52 2HZ TRP 52 7.890 -3.489 -19.583 350 HZ3 TRP 52 3HZ TRP 52 10.636 -0.247 -20.207 351 HH2 TRP 52 HH TRP 52 8.602 -1.498 -20.877 352 H ASN 53 H ASN 53 13.479 -3.189 -13.387 353 HA ASN 53 HA ASN 53 13.563 -5.803 -12.035 354 HB2 ASN 53 2HB ASN 53 14.483 -3.228 -11.420 355 HB3 ASN 53 1HB ASN 53 13.160 -3.513 -10.287 356 HD21 ASN 53 1HD2 ASN 53 13.336 -5.432 -8.858 357 HD22 ASN 53 2HD2 ASN 53 14.850 -6.137 -8.557 358 H ASP 54 H ASP 54 11.987 -6.269 -10.265 359 HA ASP 54 HA ASP 54 9.253 -5.433 -11.103 360 HB2 ASP 54 2HB ASP 54 9.937 -7.660 -9.178 361 HB3 ASP 54 1HB ASP 54 8.457 -7.443 -10.112 362 H ASP 55 H ASP 55 7.663 -5.209 -9.222 363 HA ASP 55 HA ASP 55 8.774 -3.303 -7.308 364 HB2 ASP 55 2HB ASP 55 6.239 -3.803 -8.427 365 HB3 ASP 55 1HB ASP 55 6.066 -4.133 -6.703 366 H ARG 56 H ARG 56 8.659 -3.556 -4.985 367 HA ARG 56 HA ARG 56 8.136 -6.265 -3.923 368 HB2 ARG 56 2HB ARG 56 10.573 -6.125 -4.690 369 HB3 ARG 56 1HB ARG 56 10.804 -4.944 -3.403 370 HG2 ARG 56 2HG ARG 56 11.125 -6.675 -2.004 371 HG3 ARG 56 1HG ARG 56 9.414 -7.059 -2.204 372 HD2 ARG 56 2HD ARG 56 10.331 -9.060 -2.904 373 HD3 ARG 56 1HD ARG 56 10.310 -8.199 -4.444 374 HE ARG 56 HE ARG 56 12.765 -8.012 -2.788 375 HH11 ARG 56 1HH1 ARG 56 11.793 -7.652 -5.870 376 HH12 ARG 56 2HH1 ARG 56 12.886 -8.790 -6.588 377 HH21 ARG 56 1HH2 ARG 56 13.868 -10.157 -3.556 378 HH22 ARG 56 2HH2 ARG 56 14.061 -10.209 -5.276 379 H CYS 57 H CYS 57 6.785 -5.760 -2.244 380 HA CYS 57 HA CYS 57 6.650 -3.222 -0.981 381 HB2 CYS 57 2HB CYS 57 6.021 -5.809 0.457 382 HB3 CYS 57 1HB CYS 57 5.241 -4.238 0.646 383 H THR 58 H THR 58 7.789 -2.346 0.723 384 HA THR 58 HA THR 58 10.344 -3.580 1.377 385 HB THR 58 HB THR 58 10.213 -1.433 3.025 386 HG1 THR 58 1HG THR 58 9.063 0.146 1.698 387 HG21 THR 58 3HG2 THR 58 10.631 -0.697 0.198 388 HG22 THR 58 1HG2 THR 58 11.537 -2.113 0.731 389 HG23 THR 58 2HG2 THR 58 11.733 -0.572 1.569 390 H GLY 59 H GLY 59 7.266 -3.969 2.628 391 HA2 GLY 59 1HA GLY 59 7.156 -5.676 4.467 392 HA3 GLY 59 2HA GLY 59 8.422 -4.757 5.273 393 H GLN 60 H GLN 60 7.280 -2.149 4.606 394 HA GLN 60 HA GLN 60 4.756 -2.243 6.199 395 HB2 GLN 60 2HB GLN 60 6.864 -0.103 6.534 396 HB3 GLN 60 1HB GLN 60 5.470 -0.422 7.565 397 HG2 GLN 60 2HG GLN 60 6.485 -2.711 8.026 398 HG3 GLN 60 1HG GLN 60 7.948 -2.125 7.233 399 HE21 GLN 60 1HE2 GLN 60 9.122 -2.249 9.314 400 HE22 GLN 60 2HE2 GLN 60 8.865 -1.079 10.517 401 H SER 61 H SER 61 6.183 -1.335 3.325 402 HA SER 61 HA SER 61 4.684 1.193 3.033 403 HB2 SER 61 2HB SER 61 6.231 -0.331 0.924 404 HB3 SER 61 1HB SER 61 5.714 1.351 0.852 405 HG SER 61 HG SER 61 7.046 1.703 2.720 406 H ALA 62 H ALA 62 2.513 0.980 2.714 407 HA ALA 62 HA ALA 62 1.337 -1.389 1.512 408 HB1 ALA 62 1HB ALA 62 -0.756 0.127 1.501 409 HB2 ALA 62 2HB ALA 62 0.254 1.309 2.335 410 HB3 ALA 62 3HB ALA 62 -0.054 -0.263 3.072 411 H ASP 63 H ASP 63 1.797 1.987 0.437 412 HA ASP 63 HA ASP 63 0.918 1.267 -2.288 413 HB2 ASP 63 2HB ASP 63 2.159 3.913 -1.611 414 HB3 ASP 63 1HB ASP 63 0.833 3.553 -2.717 415 H CYS 64 H CYS 64 2.602 -0.212 -2.864 416 HA CYS 64 HA CYS 64 5.367 0.209 -2.577 417 HB2 CYS 64 2HB CYS 64 3.735 -1.664 -3.876 418 HB3 CYS 64 1HB CYS 64 4.783 -1.011 -5.137 419 HA PRO 65 HA PRO 65 6.260 3.514 -5.246 420 HB2 PRO 65 2HB PRO 65 8.963 3.098 -5.318 421 HB3 PRO 65 1HB PRO 65 8.134 3.818 -3.940 422 HG2 PRO 65 2HG PRO 65 9.328 1.113 -4.225 423 HG3 PRO 65 1HG PRO 65 8.981 2.036 -2.753 424 HD2 PRO 65 2HD PRO 65 7.446 -0.101 -3.822 425 HD3 PRO 65 1HD PRO 65 6.995 0.963 -2.475 426 H ARG 66 H ARG 66 7.596 3.882 -7.349 427 HA ARG 66 HA ARG 66 7.684 1.389 -8.991 428 HB2 ARG 66 2HB ARG 66 6.659 2.587 -10.863 429 HB3 ARG 66 1HB ARG 66 5.591 2.659 -9.460 430 HG2 ARG 66 2HG ARG 66 7.057 4.886 -9.018 431 HG3 ARG 66 1HG ARG 66 7.130 4.832 -10.780 432 HD2 ARG 66 2HD ARG 66 4.590 4.496 -10.725 433 HD3 ARG 66 1HD ARG 66 4.671 4.957 -9.024 434 HE ARG 66 HE ARG 66 4.645 7.148 -9.892 435 HH11 ARG 66 1HH1 ARG 66 5.676 5.193 -12.423 436 HH12 ARG 66 2HH1 ARG 66 6.695 6.384 -13.160 437 HH21 ARG 66 1HH2 ARG 66 6.378 8.651 -10.555 438 HH22 ARG 66 2HH2 ARG 66 7.093 8.342 -12.103 439 H TYR 67 H TYR 67 9.258 1.433 -10.687 440 HA TYR 67 HA TYR 67 11.213 3.690 -10.469 441 HB2 TYR 67 2HB TYR 67 12.006 0.918 -11.330 442 HB3 TYR 67 1HB TYR 67 13.003 2.185 -10.616 443 HD1 TYR 67 2HD TYR 67 12.246 2.970 -8.196 444 HD2 TYR 67 1HD TYR 67 11.272 -0.822 -9.961 445 HE1 TYR 67 2HE TYR 67 11.836 2.025 -5.940 446 HE2 TYR 67 1HE TYR 67 10.864 -1.768 -7.705 447 HH TYR 67 HH TYR 67 11.313 -1.393 -5.448 448 H HIS 68 H HIS 68 10.234 1.039 -12.677 449 HA HIS 68 HA HIS 68 11.167 2.537 -15.003 450 HB2 HIS 68 2HB HIS 68 10.427 0.651 -16.292 451 HB3 HIS 68 1HB HIS 68 11.132 0.002 -14.812 452 HD1 HIS 68 1HD HIS 68 9.337 -0.597 -12.863 453 HD2 HIS 68 2HD HIS 68 7.778 -0.082 -16.695 454 HE1 HIS 68 1HE HIS 68 7.025 -1.633 -12.842 Start of MODEL 20 1 H GLY 1 1HT GLY 1 -0.996 13.602 2.005 2 HA2 GLY 1 1HA GLY 1 1.121 14.366 2.241 3 HA3 GLY 1 2HA GLY 1 0.617 15.650 3.339 4 H LYS 2 H LYS 2 0.636 15.234 5.547 5 HA LYS 2 HA LYS 2 1.518 12.489 6.340 6 HB2 LYS 2 2HB LYS 2 2.497 13.619 8.347 7 HB3 LYS 2 1HB LYS 2 3.209 14.172 6.830 8 HG2 LYS 2 2HG LYS 2 0.845 15.722 7.544 9 HG3 LYS 2 1HG LYS 2 2.082 15.794 8.800 10 HD2 LYS 2 2HD LYS 2 3.627 16.089 6.586 11 HD3 LYS 2 1HD LYS 2 2.136 16.853 6.033 12 HE2 LYS 2 2HE LYS 2 2.193 18.077 8.336 13 HE3 LYS 2 1HE LYS 2 3.894 17.613 8.355 14 HZ1 LYS 2 3HZ LYS 2 3.539 19.804 7.362 15 HZ2 LYS 2 1HZ LYS 2 2.561 19.108 6.164 16 HZ3 LYS 2 2HZ LYS 2 4.210 18.709 6.249 17 H GLU 3 H GLU 3 -1.282 13.415 5.998 18 HA GLU 3 HA GLU 3 -2.220 12.670 8.711 19 HB2 GLU 3 2HB GLU 3 -3.869 14.488 8.760 20 HB3 GLU 3 1HB GLU 3 -2.240 15.156 8.647 21 HG2 GLU 3 2HG GLU 3 -2.803 14.903 6.015 22 HG3 GLU 3 1HG GLU 3 -4.431 15.165 6.641 23 H CYS 4 H CYS 4 -2.115 11.301 6.121 24 HA CYS 4 HA CYS 4 -4.915 10.460 6.042 25 HB2 CYS 4 2HB CYS 4 -4.972 12.350 4.469 26 HB3 CYS 4 1HB CYS 4 -3.617 11.657 3.576 27 H ASP 5 H ASP 5 -4.892 8.282 5.781 28 HA ASP 5 HA ASP 5 -2.418 7.052 4.653 29 HB2 ASP 5 2HB ASP 5 -3.347 6.530 7.049 30 HB3 ASP 5 1HB ASP 5 -4.509 5.525 6.183 31 H CYS 6 H CYS 6 -5.665 7.699 3.936 32 HA CYS 6 HA CYS 6 -5.512 5.883 1.601 33 HB2 CYS 6 2HB CYS 6 -8.001 5.947 3.315 34 HB3 CYS 6 1HB CYS 6 -7.618 4.839 1.999 35 H SER 7 H SER 7 -6.196 6.978 -0.184 36 HA SER 7 HA SER 7 -7.328 9.659 0.138 37 HB2 SER 7 2HB SER 7 -5.850 8.287 -1.856 38 HB3 SER 7 1HB SER 7 -7.390 8.731 -2.585 39 HG SER 7 HG SER 7 -5.398 10.357 -1.439 40 H SER 8 H SER 8 -8.726 6.749 0.424 41 HA SER 8 HA SER 8 -11.105 7.309 -1.246 42 HB2 SER 8 2HB SER 8 -10.166 4.968 0.393 43 HB3 SER 8 1HB SER 8 -11.857 5.092 -0.081 44 HG SER 8 HG SER 8 -10.814 4.004 -1.696 45 HA PRO 9 HA PRO 9 -12.755 9.269 2.455 46 HB2 PRO 9 2HB PRO 9 -14.842 10.483 1.135 47 HB3 PRO 9 1HB PRO 9 -13.198 11.146 1.190 48 HG2 PRO 9 2HG PRO 9 -14.600 9.785 -1.064 49 HG3 PRO 9 1HG PRO 9 -13.290 10.976 -1.112 50 HD2 PRO 9 2HD PRO 9 -13.000 8.187 -1.474 51 HD3 PRO 9 1HD PRO 9 -11.683 9.342 -1.180 52 H GLU 10 H GLU 10 -14.059 6.917 0.350 53 HA GLU 10 HA GLU 10 -16.461 6.544 2.081 54 HB2 GLU 10 2HB GLU 10 -15.886 6.101 -0.767 55 HB3 GLU 10 1HB GLU 10 -16.681 4.730 0.006 56 HG2 GLU 10 2HG GLU 10 -18.471 6.099 -0.717 57 HG3 GLU 10 1HG GLU 10 -18.306 6.472 1.000 58 H ASN 11 H ASN 11 -13.417 5.682 2.250 59 HA ASN 11 HA ASN 11 -13.741 2.762 2.494 60 HB2 ASN 11 2HB ASN 11 -11.634 4.267 1.716 61 HB3 ASN 11 1HB ASN 11 -11.261 4.103 3.430 62 HD21 ASN 11 1HD2 ASN 11 -9.388 2.786 2.261 63 HD22 ASN 11 2HD2 ASN 11 -9.684 1.127 2.059 64 HA PRO 12 HA PRO 12 -14.726 3.327 6.810 65 HB2 PRO 12 2HB PRO 12 -15.024 0.651 7.361 66 HB3 PRO 12 1HB PRO 12 -16.266 1.629 6.561 67 HG2 PRO 12 2HG PRO 12 -14.434 -0.406 5.384 68 HG3 PRO 12 1HG PRO 12 -16.032 0.118 4.830 69 HD2 PRO 12 2HD PRO 12 -13.552 0.921 3.729 70 HD3 PRO 12 1HD PRO 12 -15.128 1.675 3.411 71 H CYS 13 H CYS 13 -12.170 1.306 5.522 72 HA CYS 13 HA CYS 13 -10.936 0.709 8.079 73 HB2 CYS 13 2HB CYS 13 -10.349 0.255 5.223 74 HB3 CYS 13 1HB CYS 13 -8.921 0.442 6.240 75 H CYS 14 H CYS 14 -11.129 3.519 6.197 76 HA CYS 14 HA CYS 14 -8.813 4.664 7.692 77 HB2 CYS 14 2HB CYS 14 -9.202 4.496 4.817 78 HB3 CYS 14 1HB CYS 14 -9.060 6.174 5.345 79 H ASP 15 H ASP 15 -9.637 6.121 9.083 80 HA ASP 15 HA ASP 15 -12.249 7.192 9.012 81 HB2 ASP 15 2HB ASP 15 -10.519 7.218 10.931 82 HB3 ASP 15 1HB ASP 15 -9.903 8.689 10.179 83 H ALA 16 H ALA 16 -13.152 8.823 7.835 84 HA ALA 16 HA ALA 16 -11.563 10.126 5.764 85 HB1 ALA 16 1HB ALA 16 -13.625 10.993 4.964 86 HB2 ALA 16 2HB ALA 16 -14.391 10.848 6.546 87 HB3 ALA 16 3HB ALA 16 -14.032 9.401 5.604 88 H ALA 17 H ALA 17 -13.160 11.129 8.783 89 HA ALA 17 HA ALA 17 -12.751 13.904 8.638 90 HB1 ALA 17 1HB ALA 17 -13.359 13.903 10.833 91 HB2 ALA 17 2HB ALA 17 -12.132 12.714 11.269 92 HB3 ALA 17 3HB ALA 17 -13.661 12.185 10.569 93 H THR 18 H THR 18 -10.460 11.333 9.429 94 HA THR 18 HA THR 18 -8.307 13.403 9.599 95 HB THR 18 HB THR 18 -7.006 11.718 10.840 96 HG1 THR 18 1HG THR 18 -8.361 9.832 11.497 97 HG21 THR 18 3HG2 THR 18 -8.419 11.632 12.868 98 HG22 THR 18 1HG2 THR 18 -9.822 12.085 11.901 99 HG23 THR 18 2HG2 THR 18 -8.487 13.219 12.102 100 H CYS 19 H CYS 19 -9.614 10.929 7.676 101 HA CYS 19 HA CYS 19 -8.883 10.035 5.629 102 HB2 CYS 19 2HB CYS 19 -7.867 12.507 5.597 103 HB3 CYS 19 1HB CYS 19 -6.350 11.618 5.727 104 H LYS 20 H LYS 20 -7.726 9.296 8.478 105 HA LYS 20 HA LYS 20 -5.529 7.584 7.374 106 HB2 LYS 20 2HB LYS 20 -5.740 8.730 10.174 107 HB3 LYS 20 1HB LYS 20 -4.453 7.677 9.583 108 HG2 LYS 20 2HG LYS 20 -4.890 9.995 7.847 109 HG3 LYS 20 1HG LYS 20 -4.432 10.452 9.488 110 HD2 LYS 20 2HD LYS 20 -2.922 8.229 8.180 111 HD3 LYS 20 1HD LYS 20 -2.585 9.880 7.657 112 HE2 LYS 20 2HE LYS 20 -1.497 10.371 9.579 113 HE3 LYS 20 1HE LYS 20 -2.760 9.640 10.569 114 HZ1 LYS 20 3HZ LYS 20 -0.248 8.604 9.966 115 HZ2 LYS 20 1HZ LYS 20 -1.383 7.621 9.178 116 HZ3 LYS 20 2HZ LYS 20 -1.495 7.867 10.855 117 H LEU 21 H LEU 21 -5.214 5.541 8.651 118 HA LEU 21 HA LEU 21 -7.473 3.921 8.702 119 HB2 LEU 21 2HB LEU 21 -4.896 3.764 10.262 120 HB3 LEU 21 1HB LEU 21 -6.132 2.512 10.385 121 HG LEU 21 HG LEU 21 -5.534 3.273 7.616 122 HD11 LEU 21 1HD1 LEU 21 -3.290 3.472 8.911 123 HD12 LEU 21 2HD1 LEU 21 -3.325 2.462 7.465 124 HD13 LEU 21 3HD1 LEU 21 -3.395 1.718 9.063 125 HD21 LEU 21 3HD2 LEU 21 -6.162 0.910 9.262 126 HD22 LEU 21 1HD2 LEU 21 -5.051 0.584 7.932 127 HD23 LEU 21 2HD2 LEU 21 -6.637 1.283 7.605 128 H ARG 22 H ARG 22 -9.284 4.003 9.922 129 HA ARG 22 HA ARG 22 -9.352 5.587 12.379 130 HB2 ARG 22 2HB ARG 22 -11.233 5.131 10.525 131 HB3 ARG 22 1HB ARG 22 -11.637 3.823 11.637 132 HG2 ARG 22 2HG ARG 22 -11.247 6.677 12.559 133 HG3 ARG 22 1HG ARG 22 -12.819 6.036 12.076 134 HD2 ARG 22 2HD ARG 22 -12.091 4.082 13.765 135 HD3 ARG 22 1HD ARG 22 -11.169 5.405 14.478 136 HE ARG 22 HE ARG 22 -14.060 5.843 13.951 137 HH11 ARG 22 1HH2 ARG 22 -12.112 7.535 15.658 138 HH12 ARG 22 2HH2 ARG 22 -12.656 7.123 17.250 139 HH21 ARG 22 1HH1 ARG 22 -14.473 4.362 16.204 140 HH22 ARG 22 2HH1 ARG 22 -13.993 5.327 17.559 141 HA PRO 23 HA PRO 23 -10.039 1.260 14.284 142 HB2 PRO 23 2HB PRO 23 -9.622 -0.923 12.669 143 HB3 PRO 23 1HB PRO 23 -11.194 -0.125 12.849 144 HG2 PRO 23 2HG PRO 23 -9.299 -0.037 10.555 145 HG3 PRO 23 1HG PRO 23 -11.050 0.223 10.573 146 HD2 PRO 23 2HD PRO 23 -9.048 2.234 10.456 147 HD3 PRO 23 1HD PRO 23 -10.783 2.490 10.730 148 H GLY 24 H GLY 24 -8.461 -1.068 14.156 149 HA2 GLY 24 2HA GLY 24 -5.758 0.094 14.530 150 HA3 GLY 24 1HA GLY 24 -6.294 -1.474 15.133 151 H ALA 25 H ALA 25 -6.891 -0.402 11.840 152 HA ALA 25 HA ALA 25 -5.492 -2.767 10.820 153 HB1 ALA 25 1HB ALA 25 -7.021 -2.520 9.187 154 HB2 ALA 25 2HB ALA 25 -6.234 -1.020 8.697 155 HB3 ALA 25 3HB ALA 25 -7.539 -0.985 9.883 156 H GLN 26 H GLN 26 -3.635 -2.712 9.478 157 HA GLN 26 HA GLN 26 -1.746 -0.590 10.062 158 HB2 GLN 26 2HB GLN 26 -1.489 -2.721 7.926 159 HB3 GLN 26 1HB GLN 26 -0.190 -1.871 8.753 160 HG2 GLN 26 2HG GLN 26 -1.799 -3.023 10.777 161 HG3 GLN 26 1HG GLN 26 -1.553 -4.275 9.559 162 HE21 GLN 26 1HE2 GLN 26 0.063 -5.525 10.619 163 HE22 GLN 26 2HE2 GLN 26 1.583 -4.907 11.054 164 H CYS 27 H CYS 27 -3.581 -1.571 7.181 165 HA CYS 27 HA CYS 27 -3.216 1.177 6.114 166 HB2 CYS 27 2HB CYS 27 -1.598 0.265 4.750 167 HB3 CYS 27 1HB CYS 27 -2.227 -1.366 4.911 168 H GLY 28 H GLY 28 -4.960 1.795 4.687 169 HA2 GLY 28 2HA GLY 28 -7.399 0.145 5.087 170 HA3 GLY 28 1HA GLY 28 -7.383 1.843 4.610 171 H GLU 29 H GLU 29 -5.400 1.614 2.598 172 HA GLU 29 HA GLU 29 -6.441 -0.372 0.682 173 HB2 GLU 29 2HB GLU 29 -7.054 1.253 -0.958 174 HB3 GLU 29 1HB GLU 29 -7.850 1.731 0.532 175 HG2 GLU 29 2HG GLU 29 -6.897 3.754 0.229 176 HG3 GLU 29 1HG GLU 29 -5.385 2.984 0.708 177 H GLY 30 H GLY 30 -4.914 -0.825 -0.979 178 HA2 GLY 30 2HA GLY 30 -2.732 0.609 -1.851 179 HA3 GLY 30 1HA GLY 30 -2.168 -0.072 -0.326 180 H LEU 31 H LEU 31 -0.825 -0.891 -2.526 181 HA LEU 31 HA LEU 31 -1.963 -3.213 -3.814 182 HB2 LEU 31 2HB LEU 31 0.665 -1.851 -3.739 183 HB3 LEU 31 1HB LEU 31 0.725 -3.581 -4.073 184 HG LEU 31 HG LEU 31 -0.887 -1.505 -5.583 185 HD11 LEU 31 1HD1 LEU 31 1.372 -3.327 -6.464 186 HD12 LEU 31 2HD1 LEU 31 1.558 -1.616 -6.078 187 HD13 LEU 31 3HD1 LEU 31 0.566 -2.108 -7.451 188 HD21 LEU 31 3HD2 LEU 31 -1.217 -3.662 -7.076 189 HD22 LEU 31 1HD2 LEU 31 -2.275 -3.377 -5.694 190 HD23 LEU 31 2HD2 LEU 31 -0.929 -4.508 -5.555 191 H CYS 32 H CYS 32 0.189 -2.763 -1.016 192 HA CYS 32 HA CYS 32 0.005 -5.701 -0.523 193 HB2 CYS 32 2HB CYS 32 2.096 -3.694 -0.122 194 HB3 CYS 32 1HB CYS 32 1.804 -4.663 1.322 195 H CYS 33 H CYS 33 -2.326 -4.637 0.086 196 HA CYS 33 HA CYS 33 -2.244 -4.273 3.053 197 HB2 CYS 33 2HB CYS 33 -4.129 -2.987 1.059 198 HB3 CYS 33 1HB CYS 33 -4.287 -2.861 2.810 199 H GLU 34 H GLU 34 -2.744 -6.414 3.584 200 HA GLU 34 HA GLU 34 -5.124 -7.641 2.290 201 HB2 GLU 34 2HB GLU 34 -2.986 -8.814 4.096 202 HB3 GLU 34 1HB GLU 34 -4.352 -9.722 3.448 203 HG2 GLU 34 2HG GLU 34 -3.598 -9.082 1.137 204 HG3 GLU 34 1HG GLU 34 -2.154 -8.370 1.859 205 H GLN 35 H GLN 35 -7.028 -7.431 3.350 206 HA GLN 35 HA GLN 35 -8.559 -7.162 5.102 207 HB2 GLN 35 2HB GLN 35 -6.752 -9.131 5.924 208 HB3 GLN 35 1HB GLN 35 -6.820 -8.008 7.283 209 HG2 GLN 35 2HG GLN 35 -9.460 -8.168 6.663 210 HG3 GLN 35 1HG GLN 35 -8.930 -9.782 6.191 211 HE21 GLN 35 1HE2 GLN 35 -10.554 -8.835 8.615 212 HE22 GLN 35 2HE2 GLN 35 -9.723 -9.477 9.950 213 H CYS 36 H CYS 36 -6.778 -4.997 4.394 214 HA CYS 36 HA CYS 36 -6.232 -2.869 5.183 215 HB2 CYS 36 2HB CYS 36 -7.936 -3.806 7.507 216 HB3 CYS 36 1HB CYS 36 -7.306 -2.163 7.348 217 H LYS 37 H LYS 37 -4.331 -4.883 5.501 218 HA LYS 37 HA LYS 37 -2.896 -3.895 7.901 219 HB2 LYS 37 2HB LYS 37 -3.792 -6.675 7.389 220 HB3 LYS 37 1HB LYS 37 -2.107 -6.507 7.886 221 HG2 LYS 37 2HG LYS 37 -2.658 -5.778 9.983 222 HG3 LYS 37 1HG LYS 37 -4.076 -4.896 9.415 223 HD2 LYS 37 2HD LYS 37 -5.456 -6.653 9.786 224 HD3 LYS 37 1HD LYS 37 -4.315 -7.803 9.087 225 HE2 LYS 37 2HE LYS 37 -3.054 -7.910 11.143 226 HE3 LYS 37 1HE LYS 37 -3.987 -6.586 11.842 227 HZ1 LYS 37 3HZ LYS 37 -5.838 -8.456 11.038 228 HZ2 LYS 37 1HZ LYS 37 -5.360 -8.116 12.630 229 HZ3 LYS 37 2HZ LYS 37 -4.593 -9.359 11.761 230 H PHE 38 H PHE 38 -0.504 -4.331 7.667 231 HA PHE 38 HA PHE 38 0.299 -3.924 4.890 232 HB2 PHE 38 2HB PHE 38 1.833 -4.176 7.485 233 HB3 PHE 38 1HB PHE 38 2.645 -4.024 5.930 234 HD1 PHE 38 2HD PHE 38 0.646 -2.169 4.572 235 HD2 PHE 38 1HD PHE 38 2.418 -2.099 8.486 236 HE1 PHE 38 2HE PHE 38 0.345 0.287 4.667 237 HE2 PHE 38 1HE PHE 38 2.119 0.359 8.575 238 HZ PHE 38 HZ PHE 38 1.082 1.552 6.665 239 H SER 39 H SER 39 0.797 -5.534 3.478 240 HA SER 39 HA SER 39 0.649 -8.297 4.180 241 HB2 SER 39 2HB SER 39 2.174 -7.179 1.811 242 HB3 SER 39 1HB SER 39 1.404 -8.756 1.947 243 HG SER 39 HG SER 39 -0.282 -6.639 2.422 244 H ARG 40 H ARG 40 3.278 -8.894 2.635 245 HA ARG 40 HA ARG 40 5.086 -8.490 4.986 246 HB2 ARG 40 2HB ARG 40 4.561 -10.894 3.271 247 HB3 ARG 40 1HB ARG 40 6.170 -10.672 3.961 248 HG2 ARG 40 2HG ARG 40 5.080 -10.368 6.213 249 HG3 ARG 40 1HG ARG 40 3.546 -10.821 5.469 250 HD2 ARG 40 2HD ARG 40 5.980 -12.506 5.961 251 HD3 ARG 40 1HD ARG 40 4.284 -12.881 6.269 252 HE ARG 40 HE ARG 40 4.041 -13.082 3.755 253 HH11 ARG 40 1HH1 ARG 40 7.194 -12.225 4.231 254 HH12 ARG 40 2HH1 ARG 40 7.900 -13.596 3.441 255 HH21 ARG 40 1HH2 ARG 40 4.900 -15.319 3.184 256 HH22 ARG 40 2HH2 ARG 40 6.599 -15.349 2.847 257 H ALA 41 H ALA 41 7.373 -8.261 4.446 258 HA ALA 41 HA ALA 41 7.791 -6.636 2.087 259 HB1 ALA 41 1HB ALA 41 9.069 -6.741 4.436 260 HB2 ALA 41 2HB ALA 41 9.882 -6.194 2.969 261 HB3 ALA 41 3HB ALA 41 10.108 -7.849 3.538 262 H GLY 42 H GLY 42 9.652 -7.246 0.500 263 HA2 GLY 42 2HA GLY 42 10.535 -8.804 -1.043 264 HA3 GLY 42 1HA GLY 42 10.152 -10.075 0.114 265 H LYS 43 H LYS 43 7.664 -7.817 -0.749 266 HA LYS 43 HA LYS 43 6.229 -10.051 -2.124 267 HB2 LYS 43 2HB LYS 43 4.961 -9.151 -0.301 268 HB3 LYS 43 1HB LYS 43 5.269 -7.495 -0.822 269 HG2 LYS 43 2HG LYS 43 2.979 -8.296 -1.435 270 HG3 LYS 43 1HG LYS 43 3.942 -7.832 -2.835 271 HD2 LYS 43 2HD LYS 43 2.907 -9.929 -3.378 272 HD3 LYS 43 1HD LYS 43 4.607 -10.271 -3.052 273 HE2 LYS 43 2HE LYS 43 3.956 -11.751 -1.488 274 HE3 LYS 43 1HE LYS 43 3.296 -10.408 -0.554 275 HZ1 LYS 43 3HZ LYS 43 1.782 -12.368 -1.354 276 HZ2 LYS 43 1HZ LYS 43 1.720 -11.462 -2.787 277 HZ3 LYS 43 2HZ LYS 43 1.199 -10.772 -1.323 278 H ILE 44 H ILE 44 6.364 -10.007 -4.298 279 HA ILE 44 HA ILE 44 7.211 -7.767 -5.843 280 HB ILE 44 HB ILE 44 7.382 -10.030 -6.713 281 HG12 ILE 44 2HG1 ILE 44 6.553 -9.659 -8.942 282 HG13 ILE 44 1HG1 ILE 44 5.296 -8.570 -8.359 283 HG21 ILE 44 1HG2 ILE 44 5.710 -11.476 -6.304 284 HG22 ILE 44 2HG2 ILE 44 4.718 -10.613 -7.480 285 HG23 ILE 44 3HG2 ILE 44 4.663 -10.159 -5.776 286 HD11 ILE 44 3HD1 ILE 44 7.521 -7.585 -9.376 287 HD12 ILE 44 1HD1 ILE 44 8.167 -7.927 -7.772 288 HD13 ILE 44 2HD1 ILE 44 6.794 -6.834 -7.955 289 H CYS 45 H CYS 45 5.693 -6.188 -4.718 290 HA CYS 45 HA CYS 45 2.897 -6.140 -5.037 291 HB2 CYS 45 2HB CYS 45 3.333 -3.527 -5.253 292 HB3 CYS 45 1HB CYS 45 3.623 -4.361 -3.733 293 H ARG 46 H ARG 46 5.427 -5.409 -7.367 294 HA ARG 46 HA ARG 46 3.443 -5.559 -9.533 295 HB2 ARG 46 2HB ARG 46 4.209 -3.036 -8.491 296 HB3 ARG 46 1HB ARG 46 5.035 -3.214 -10.039 297 HG2 ARG 46 2HG ARG 46 2.864 -3.839 -11.091 298 HG3 ARG 46 1HG ARG 46 2.063 -3.548 -9.547 299 HD2 ARG 46 2HD ARG 46 1.778 -1.457 -10.445 300 HD3 ARG 46 1HD ARG 46 3.395 -1.217 -9.784 301 HE ARG 46 HE ARG 46 3.038 -2.096 -12.616 302 HH11 ARG 46 1HH1 ARG 46 3.131 0.792 -11.058 303 HH12 ARG 46 2HH1 ARG 46 4.612 1.361 -11.752 304 HH21 ARG 46 1HH2 ARG 46 5.440 -1.700 -13.158 305 HH22 ARG 46 2HH2 ARG 46 5.921 -0.050 -12.939 306 H ILE 47 H ILE 47 4.389 -6.353 -11.392 307 HA ILE 47 HA ILE 47 7.250 -7.056 -11.219 308 HB ILE 47 HB ILE 47 6.839 -8.531 -13.049 309 HG12 ILE 47 2HG1 ILE 47 4.224 -7.041 -13.457 310 HG13 ILE 47 1HG1 ILE 47 5.656 -6.885 -14.478 311 HG21 ILE 47 1HG2 ILE 47 5.485 -8.776 -10.734 312 HG22 ILE 47 2HG2 ILE 47 5.343 -9.949 -12.043 313 HG23 ILE 47 3HG2 ILE 47 4.123 -8.691 -11.849 314 HD11 ILE 47 3HD1 ILE 47 3.621 -8.671 -14.926 315 HD12 ILE 47 1HD1 ILE 47 4.779 -9.666 -14.042 316 HD13 ILE 47 2HD1 ILE 47 5.266 -8.860 -15.533 317 H ALA 48 H ALA 48 8.821 -6.293 -12.686 318 HA ALA 48 HA ALA 48 8.318 -3.661 -13.800 319 HB1 ALA 48 1HB ALA 48 10.551 -3.589 -13.561 320 HB2 ALA 48 2HB ALA 48 10.700 -4.720 -14.904 321 HB3 ALA 48 3HB ALA 48 10.603 -5.324 -13.250 322 H ARG 49 H ARG 49 6.706 -3.897 -15.396 323 HA ARG 49 HA ARG 49 6.896 -5.888 -17.491 324 HB2 ARG 49 2HB ARG 49 5.340 -3.323 -17.757 325 HB3 ARG 49 1HB ARG 49 4.930 -4.933 -18.352 326 HG2 ARG 49 2HG ARG 49 3.724 -5.280 -16.487 327 HG3 ARG 49 1HG ARG 49 5.204 -5.153 -15.536 328 HD2 ARG 49 2HD ARG 49 3.452 -3.531 -14.807 329 HD3 ARG 49 1HD ARG 49 4.929 -2.736 -15.355 330 HE ARG 49 HE ARG 49 3.719 -2.327 -17.535 331 HH11 ARG 49 1HH2 ARG 49 2.469 -1.061 -14.926 332 HH12 ARG 49 2HH2 ARG 49 0.790 -1.222 -15.317 333 HH21 ARG 49 1HH1 ARG 49 1.340 -3.421 -17.942 334 HH22 ARG 49 2HH1 ARG 49 0.150 -2.559 -17.025 335 H GLY 50 H GLY 50 8.937 -5.650 -18.523 336 HA2 GLY 50 2HA GLY 50 9.363 -4.338 -20.788 337 HA3 GLY 50 1HA GLY 50 9.573 -2.989 -19.681 338 H ASP 51 H ASP 51 10.987 -4.040 -17.642 339 HA ASP 51 HA ASP 51 13.036 -5.844 -17.952 340 HB2 ASP 51 2HB ASP 51 13.359 -3.667 -19.844 341 HB3 ASP 51 1HB ASP 51 14.742 -3.774 -18.755 342 H TRP 52 H TRP 52 12.576 -2.424 -17.205 343 HA TRP 52 HA TRP 52 14.552 -1.929 -15.340 344 HB2 TRP 52 2HB TRP 52 12.476 -0.755 -14.044 345 HB3 TRP 52 1HB TRP 52 13.239 -0.064 -15.473 346 HD1 TRP 52 HD TRP 52 10.101 -1.928 -14.342 347 HE1 TRP 52 1HE TRP 52 8.326 -1.765 -16.203 348 HE3 TRP 52 3HE TRP 52 12.891 0.221 -18.042 349 HZ2 TRP 52 2HZ TRP 52 8.116 -0.846 -18.905 350 HZ3 TRP 52 3HZ TRP 52 11.879 0.728 -20.247 351 HH2 TRP 52 HH TRP 52 9.496 0.198 -20.683 352 H ASN 53 H ASN 53 14.116 -1.773 -12.830 353 HA ASN 53 HA ASN 53 13.935 -4.470 -11.843 354 HB2 ASN 53 2HB ASN 53 14.977 -2.135 -10.874 355 HB3 ASN 53 1HB ASN 53 13.519 -2.294 -9.891 356 HD21 ASN 53 1HD2 ASN 53 13.460 -3.973 -8.310 357 HD22 ASN 53 2HD2 ASN 53 14.765 -5.018 -8.018 358 H ASP 54 H ASP 54 12.321 -5.302 -10.333 359 HA ASP 54 HA ASP 54 9.600 -4.452 -11.084 360 HB2 ASP 54 2HB ASP 54 10.360 -6.673 -9.176 361 HB3 ASP 54 1HB ASP 54 8.864 -6.497 -10.094 362 H ASP 55 H ASP 55 8.160 -5.032 -8.792 363 HA ASP 55 HA ASP 55 9.166 -2.966 -6.876 364 HB2 ASP 55 2HB ASP 55 6.269 -3.686 -7.393 365 HB3 ASP 55 1HB ASP 55 6.885 -2.310 -6.475 366 H ARG 56 H ARG 56 9.263 -3.561 -4.729 367 HA ARG 56 HA ARG 56 8.027 -6.172 -3.962 368 HB2 ARG 56 2HB ARG 56 10.540 -6.278 -4.424 369 HB3 ARG 56 1HB ARG 56 10.739 -5.260 -2.999 370 HG2 ARG 56 2HG ARG 56 10.558 -7.071 -1.693 371 HG3 ARG 56 1HG ARG 56 8.935 -7.356 -2.323 372 HD2 ARG 56 2HD ARG 56 10.193 -9.339 -2.804 373 HD3 ARG 56 1HD ARG 56 10.038 -8.469 -4.329 374 HE ARG 56 HE ARG 56 12.497 -8.062 -2.705 375 HH11 ARG 56 1HH2 ARG 56 12.442 -6.948 -5.408 376 HH12 ARG 56 2HH2 ARG 56 13.184 -8.183 -6.369 377 HH21 ARG 56 1HH1 ARG 56 12.769 -10.660 -3.977 378 HH22 ARG 56 2HH1 ARG 56 13.368 -10.286 -5.559 379 H CYS 57 H CYS 57 6.571 -5.700 -2.354 380 HA CYS 57 HA CYS 57 6.456 -3.300 -0.876 381 HB2 CYS 57 2HB CYS 57 5.672 -6.022 0.211 382 HB3 CYS 57 1HB CYS 57 5.021 -4.458 0.694 383 H THR 58 H THR 58 7.496 -2.591 0.967 384 HA THR 58 HA THR 58 9.979 -3.918 1.703 385 HB THR 58 HB THR 58 10.305 -2.020 3.197 386 HG1 THR 58 1HG THR 58 8.581 -0.506 3.393 387 HG21 THR 58 3HG2 THR 58 9.279 -0.263 1.285 388 HG22 THR 58 1HG2 THR 58 9.563 -1.758 0.394 389 HG23 THR 58 2HG2 THR 58 10.885 -0.992 1.276 390 H GLY 59 H GLY 59 6.787 -4.360 2.654 391 HA2 GLY 59 1HA GLY 59 6.357 -6.212 4.234 392 HA3 GLY 59 2HA GLY 59 7.721 -5.638 5.189 393 H GLN 60 H GLN 60 6.998 -2.821 4.972 394 HA GLN 60 HA GLN 60 4.531 -2.832 6.664 395 HB2 GLN 60 2HB GLN 60 6.850 -0.892 6.862 396 HB3 GLN 60 1HB GLN 60 5.484 -1.036 7.969 397 HG2 GLN 60 2HG GLN 60 6.512 -3.613 7.891 398 HG3 GLN 60 1HG GLN 60 7.954 -2.599 7.860 399 HE21 GLN 60 1HE2 GLN 60 6.825 -4.267 10.129 400 HE22 GLN 60 2HE2 GLN 60 6.628 -3.177 11.415 401 H SER 61 H SER 61 5.833 -1.840 3.740 402 HA SER 61 HA SER 61 4.389 0.731 3.626 403 HB2 SER 61 2HB SER 61 5.751 -0.727 1.350 404 HB3 SER 61 1HB SER 61 5.355 0.988 1.445 405 HG SER 61 HG SER 61 7.592 0.362 1.943 406 H ALA 62 H ALA 62 2.429 1.034 2.595 407 HA ALA 62 HA ALA 62 1.037 -1.436 1.686 408 HB1 ALA 62 1HB ALA 62 -0.465 -0.471 3.128 409 HB2 ALA 62 2HB ALA 62 -0.909 0.439 1.684 410 HB3 ALA 62 3HB ALA 62 0.177 1.152 2.877 411 H ASP 63 H ASP 63 1.664 1.929 0.680 412 HA ASP 63 HA ASP 63 0.633 1.350 -2.023 413 HB2 ASP 63 2HB ASP 63 1.951 3.856 -0.932 414 HB3 ASP 63 1HB ASP 63 1.092 3.716 -2.466 415 H CYS 64 H CYS 64 2.265 -0.303 -2.524 416 HA CYS 64 HA CYS 64 5.051 0.046 -2.457 417 HB2 CYS 64 2HB CYS 64 3.360 -1.889 -3.409 418 HB3 CYS 64 1HB CYS 64 4.064 -1.262 -4.899 419 HA PRO 65 HA PRO 65 5.752 3.198 -5.384 420 HB2 PRO 65 2HB PRO 65 8.463 2.870 -5.493 421 HB3 PRO 65 1HB PRO 65 7.642 3.653 -4.145 422 HG2 PRO 65 2HG PRO 65 8.958 1.003 -4.265 423 HG3 PRO 65 1HG PRO 65 8.544 1.984 -2.849 424 HD2 PRO 65 2HD PRO 65 7.132 -0.283 -3.869 425 HD3 PRO 65 1HD PRO 65 6.666 0.745 -2.505 426 H ARG 66 H ARG 66 7.555 3.301 -7.394 427 HA ARG 66 HA ARG 66 7.424 0.759 -8.920 428 HB2 ARG 66 2HB ARG 66 6.415 1.804 -10.856 429 HB3 ARG 66 1HB ARG 66 5.377 2.126 -9.466 430 HG2 ARG 66 2HG ARG 66 5.674 4.351 -9.665 431 HG3 ARG 66 1HG ARG 66 7.427 4.168 -9.730 432 HD2 ARG 66 2HD ARG 66 7.117 4.954 -11.863 433 HD3 ARG 66 1HD ARG 66 6.812 3.248 -12.187 434 HE ARG 66 HE ARG 66 4.655 5.276 -11.763 435 HH11 ARG 66 1HH2 ARG 66 6.042 3.090 -13.897 436 HH12 ARG 66 2HH2 ARG 66 4.554 2.348 -14.383 437 HH21 ARG 66 1HH1 ARG 66 2.649 3.988 -11.994 438 HH22 ARG 66 2HH1 ARG 66 2.633 2.856 -13.305 439 H TYR 67 H TYR 67 8.912 0.778 -10.781 440 HA TYR 67 HA TYR 67 10.940 2.970 -10.647 441 HB2 TYR 67 2HB TYR 67 11.703 0.086 -11.100 442 HB3 TYR 67 1HB TYR 67 12.737 1.436 -10.631 443 HD1 TYR 67 1HD TYR 67 11.374 2.725 -8.452 444 HD2 TYR 67 2HD TYR 67 11.639 -1.467 -9.353 445 HE1 TYR 67 1HE TYR 67 10.997 2.187 -6.061 446 HE2 TYR 67 2HE TYR 67 11.262 -2.004 -6.961 447 HH TYR 67 HH TYR 67 11.393 -1.039 -4.821 448 H HIS 68 H HIS 68 10.170 3.891 -12.597 449 HA HIS 68 HA HIS 68 9.924 4.097 -14.924 450 HB2 HIS 68 2HB HIS 68 11.936 1.844 -15.084 451 HB3 HIS 68 1HB HIS 68 11.691 3.164 -16.228 452 HD1 HIS 68 1HD HIS 68 14.490 2.876 -15.139 453 HD2 HIS 68 2HD HIS 68 11.582 5.156 -13.209 454 HE1 HIS 68 1HE HIS 68 15.730 4.527 -13.674
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