NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
596734 | 2mxp | 25423 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLN 49 HT1 GLN 49 35.601 2.154 6.097 2 H2 GLN 49 HT2 GLN 49 37.202 2.731 5.868 3 H3 GLN 49 HT3 GLN 49 36.676 2.247 7.429 4 HA GLN 49 HA GLN 49 38.125 0.661 6.244 5 HB2 GLN 49 HB2 GLN 49 36.675 -1.260 6.908 6 HB3 GLN 49 HB1 GLN 49 36.787 -0.004 8.133 7 HG2 GLN 49 HG2 GLN 49 34.613 0.886 7.355 8 HG3 GLN 49 HG1 GLN 49 34.496 -0.477 6.242 9 HE21 GLN 49 HE21 GLN 49 34.847 0.340 9.659 10 HE22 GLN 49 HE22 GLN 49 34.003 -1.043 10.261 11 H MET 50 HN MET 50 38.610 -0.080 4.290 12 HA MET 50 HA MET 50 36.431 -0.751 2.439 13 HB2 MET 50 HB2 MET 50 37.773 0.208 0.573 14 HB3 MET 50 HB1 MET 50 37.202 1.413 1.720 15 HG2 MET 50 HG2 MET 50 39.522 1.099 2.825 16 HG3 MET 50 HG1 MET 50 39.970 0.390 1.274 17 HE1 MET 50 HE1 MET 50 39.554 1.300 -0.816 18 HE2 MET 50 HE2 MET 50 40.775 2.567 -0.944 19 HE3 MET 50 HE3 MET 50 39.078 2.947 -1.232 20 H GLN 51 HN GLN 51 38.120 -2.395 4.155 21 HA GLN 51 HA GLN 51 39.253 -4.364 4.073 22 HB2 GLN 51 HB2 GLN 51 38.022 -4.164 1.378 23 HB3 GLN 51 HB1 GLN 51 39.287 -5.366 1.593 24 HG2 GLN 51 HG2 GLN 51 38.062 -6.528 3.216 25 HG3 GLN 51 HG1 GLN 51 36.948 -5.184 3.458 26 HE21 GLN 51 HE21 GLN 51 35.524 -7.183 3.155 27 HE22 GLN 51 HE22 GLN 51 34.965 -7.471 1.546 28 HA PRO 52 HA PRO 52 43.266 -2.592 3.000 29 HB2 PRO 52 HB2 PRO 52 44.236 -5.035 4.359 30 HB3 PRO 52 HB1 PRO 52 44.602 -3.341 4.695 31 HG2 PRO 52 HG2 PRO 52 43.028 -4.766 6.319 32 HG3 PRO 52 HG1 PRO 52 42.709 -3.051 5.994 33 HD2 PRO 52 HD2 PRO 52 41.367 -5.479 4.864 34 HD3 PRO 52 HD1 PRO 52 40.655 -3.938 5.390 35 H LEU 53 HN LEU 53 42.551 -3.301 0.751 36 HA LEU 53 HA LEU 53 43.899 -5.765 -0.089 37 HB2 LEU 53 HB2 LEU 53 41.387 -4.935 -0.654 38 HB3 LEU 53 HB1 LEU 53 42.249 -4.268 -2.027 39 HG LEU 53 HG LEU 53 43.214 -6.681 -2.266 40 HD11 LEU 53 HD11 LEU 53 41.408 -8.340 -1.583 41 HD12 LEU 53 HD12 LEU 53 40.823 -7.081 -0.496 42 HD13 LEU 53 HD13 LEU 53 42.455 -7.722 -0.306 43 HD21 LEU 53 HD21 LEU 53 41.777 -6.946 -3.988 44 HD22 LEU 53 HD22 LEU 53 41.315 -5.297 -3.566 45 HD23 LEU 53 HD23 LEU 53 40.354 -6.658 -2.988 46 H CYS 54 HN CYS 54 45.205 -3.171 0.518 47 HA CYS 54 HA CYS 54 47.084 -3.134 -1.562 48 HB2 CYS 54 HB2 CYS 54 46.609 -0.867 -2.494 49 HB3 CYS 54 HB1 CYS 54 45.396 -2.070 -2.918 50 HG CYS 54 HG CYS 54 44.655 -0.319 -0.518 51 H PHE 55 HN PHE 55 48.905 -2.017 -0.959 52 HA PHE 55 HA PHE 55 48.796 -0.757 1.684 53 HB2 PHE 55 HB2 PHE 55 51.163 -1.753 0.084 54 HB3 PHE 55 HB1 PHE 55 51.248 -1.065 1.702 55 HD1 PHE 55 HD2 PHE 55 49.002 -2.306 3.061 56 HD2 PHE 55 HD1 PHE 55 51.758 -3.973 0.281 57 HE1 PHE 55 HE2 PHE 55 48.624 -4.537 4.031 58 HE2 PHE 55 HE1 PHE 55 51.385 -6.206 1.244 59 HZ PHE 55 HZ PHE 55 49.817 -6.490 3.121 60 H ASN 56 HN ASN 56 49.885 1.234 2.091 61 HA ASN 56 HA ASN 56 50.447 2.849 -0.298 62 HB2 ASN 56 HB2 ASN 56 49.336 4.784 0.927 63 HB3 ASN 56 HB1 ASN 56 48.262 3.547 0.282 64 HD21 ASN 56 HD21 ASN 56 46.718 4.364 1.806 65 HD22 ASN 56 HD22 ASN 56 46.774 3.842 3.453 66 H CYS 57 HN CYS 57 52.219 4.081 -0.187 67 HA CYS 57 HA CYS 57 53.894 3.879 2.154 68 HB2 CYS 57 HB2 CYS 57 54.979 3.646 0.025 69 HB3 CYS 57 HB1 CYS 57 54.298 5.163 -0.548 70 HA PRO 58 HA PRO 58 52.169 7.752 3.686 71 HB2 PRO 58 HB2 PRO 58 53.940 7.377 5.971 72 HB3 PRO 58 HB1 PRO 58 52.177 7.365 5.914 73 HG2 PRO 58 HG2 PRO 58 53.665 5.140 6.375 74 HG3 PRO 58 HG1 PRO 58 52.073 5.102 5.597 75 HD2 PRO 58 HD2 PRO 58 54.793 4.919 4.371 76 HD3 PRO 58 HD1 PRO 58 53.299 4.055 3.948 77 H ILE 59 HN ILE 59 55.432 6.971 2.965 78 HA ILE 59 HA ILE 59 56.557 9.484 3.770 79 HB ILE 59 HB ILE 59 57.729 7.452 1.877 80 HG12 ILE 59 HG12 ILE 59 59.015 7.177 4.303 81 HG13 ILE 59 HG11 ILE 59 57.337 7.422 4.779 82 HG21 ILE 59 HG21 ILE 59 59.063 9.300 1.609 83 HG22 ILE 59 HG22 ILE 59 59.858 8.527 2.979 84 HG23 ILE 59 HG23 ILE 59 58.766 9.885 3.245 85 HD11 ILE 59 HD11 ILE 59 58.111 5.036 4.445 86 HD12 ILE 59 HD12 ILE 59 58.129 5.395 2.718 87 HD13 ILE 59 HD13 ILE 59 56.622 5.512 3.627 88 H CYS 60 HN CYS 60 55.879 8.027 0.551 89 HA CYS 60 HA CYS 60 55.845 10.785 -0.498 90 HB2 CYS 60 HB2 CYS 60 56.699 10.028 -2.576 91 HB3 CYS 60 HB1 CYS 60 57.701 9.292 -1.330 92 H ASP 61 HN ASP 61 53.901 8.157 0.177 93 HA ASP 61 HA ASP 61 51.622 7.993 -0.086 94 HB2 ASP 61 HB2 ASP 61 51.951 10.506 -1.035 95 HB3 ASP 61 HB1 ASP 61 51.413 9.686 -2.498 96 H LYS 62 HN LYS 62 53.884 6.651 -1.654 97 HA LYS 62 HA LYS 62 52.679 5.878 -4.136 98 HB2 LYS 62 HB2 LYS 62 55.104 5.860 -3.898 99 HB3 LYS 62 HB1 LYS 62 54.992 4.676 -2.605 100 HG2 LYS 62 HG2 LYS 62 55.501 3.291 -4.327 101 HG3 LYS 62 HG1 LYS 62 53.744 3.289 -4.486 102 HD2 LYS 62 HD2 LYS 62 53.776 4.644 -6.351 103 HD3 LYS 62 HD1 LYS 62 55.336 5.358 -5.933 104 HE2 LYS 62 HE2 LYS 62 55.376 2.462 -6.454 105 HE3 LYS 62 HE1 LYS 62 54.975 3.469 -7.845 106 HZ1 LYS 62 HZ1 LYS 62 57.429 2.928 -7.349 107 HZ2 LYS 62 HZ2 LYS 62 57.303 4.128 -6.163 108 HZ3 LYS 62 HZ3 LYS 62 57.017 4.511 -7.785 109 H ILE 63 HN ILE 63 51.003 4.539 -4.307 110 HA ILE 63 HA ILE 63 50.586 2.536 -2.189 111 HB ILE 63 HB ILE 63 48.495 3.522 -4.119 112 HG12 ILE 63 HG12 ILE 63 47.840 4.651 -1.719 113 HG13 ILE 63 HG11 ILE 63 49.595 4.783 -1.694 114 HG21 ILE 63 HG21 ILE 63 48.095 2.302 -1.405 115 HG22 ILE 63 HG22 ILE 63 48.244 1.322 -2.862 116 HG23 ILE 63 HG23 ILE 63 46.928 2.484 -2.715 117 HD11 ILE 63 HD11 ILE 63 47.752 5.847 -3.820 118 HD12 ILE 63 HD12 ILE 63 49.512 5.933 -3.863 119 HD13 ILE 63 HD13 ILE 63 48.618 6.786 -2.606 120 H PHE 64 HN PHE 64 50.138 0.428 -2.678 121 HA PHE 64 HA PHE 64 50.094 -0.405 -5.472 122 HB2 PHE 64 HB2 PHE 64 51.745 -2.202 -3.865 123 HB3 PHE 64 HB1 PHE 64 52.039 -1.543 -5.468 124 HD1 PHE 64 HD1 PHE 64 52.024 -0.410 -1.910 125 HD2 PHE 64 HD2 PHE 64 53.873 -0.202 -5.736 126 HE1 PHE 64 HE1 PHE 64 53.780 1.038 -0.978 127 HE2 PHE 64 HE2 PHE 64 55.633 1.246 -4.811 128 HZ PHE 64 HZ PHE 64 55.590 1.865 -2.428 129 HA PRO 65 HA PRO 65 47.164 -3.456 -4.259 130 HB2 PRO 65 HB2 PRO 65 48.823 -5.678 -5.287 131 HB3 PRO 65 HB1 PRO 65 47.217 -5.146 -5.793 132 HG2 PRO 65 HG2 PRO 65 49.370 -4.714 -7.323 133 HG3 PRO 65 HG1 PRO 65 48.053 -3.531 -7.221 134 HD2 PRO 65 HD2 PRO 65 50.737 -3.501 -5.894 135 HD3 PRO 65 HD1 PRO 65 49.827 -2.164 -6.627 136 H ALA 66 HN ALA 66 46.744 -5.353 -2.910 137 HA ALA 66 HA ALA 66 48.284 -5.326 -0.538 138 HB1 ALA 66 HB1 ALA 66 46.142 -5.879 -0.031 139 HB2 ALA 66 HB2 ALA 66 46.798 -7.510 -0.173 140 HB3 ALA 66 HB3 ALA 66 45.909 -6.797 -1.519 141 H THR 67 HN THR 67 48.348 -7.320 -3.392 142 HA THR 67 HA THR 67 49.914 -9.420 -2.212 143 HB THR 67 HB THR 67 50.258 -9.809 -4.852 144 HG1 THR 67 HG1 THR 67 48.617 -8.971 -6.009 145 HG21 THR 67 HG21 THR 67 48.705 -11.445 -4.728 146 HG22 THR 67 HG22 THR 67 47.518 -10.415 -3.931 147 HG23 THR 67 HG23 THR 67 48.857 -11.095 -3.007 148 H GLU 68 HN GLU 68 50.662 -6.306 -2.980 149 HA GLU 68 HA GLU 68 53.327 -6.890 -3.996 150 HB2 GLU 68 HB2 GLU 68 51.568 -4.896 -4.609 151 HB3 GLU 68 HB1 GLU 68 52.613 -4.089 -3.447 152 HG2 GLU 68 HG2 GLU 68 53.977 -3.678 -5.142 153 HG3 GLU 68 HG1 GLU 68 54.382 -5.393 -5.112 154 H LYS 69 HN LYS 69 52.546 -7.564 -1.250 155 HA LYS 69 HA LYS 69 53.434 -5.775 0.667 156 HB2 LYS 69 HB2 LYS 69 53.645 -7.631 2.150 157 HB3 LYS 69 HB1 LYS 69 52.298 -7.980 1.077 158 HG2 LYS 69 HG2 LYS 69 55.077 -9.050 0.649 159 HG3 LYS 69 HG1 LYS 69 53.826 -9.905 1.551 160 HD2 LYS 69 HD2 LYS 69 52.373 -9.704 -0.500 161 HD3 LYS 69 HD1 LYS 69 53.803 -9.131 -1.359 162 HE2 LYS 69 HE2 LYS 69 53.979 -11.673 0.181 163 HE3 LYS 69 HE1 LYS 69 53.130 -11.679 -1.364 164 HZ1 LYS 69 HZ1 LYS 69 55.145 -10.707 -2.372 165 HZ2 LYS 69 HZ2 LYS 69 55.412 -12.246 -1.722 166 HZ3 LYS 69 HZ3 LYS 69 55.948 -10.873 -0.891 167 H GLN 70 HN GLN 70 55.267 -7.709 -1.563 168 HA GLN 70 HA GLN 70 57.765 -7.543 -0.208 169 HB2 GLN 70 HB2 GLN 70 56.753 -8.664 -2.662 170 HB3 GLN 70 HB1 GLN 70 58.260 -7.813 -2.969 171 HG2 GLN 70 HG2 GLN 70 58.366 -9.489 -0.594 172 HG3 GLN 70 HG1 GLN 70 58.007 -10.391 -2.066 173 HE21 GLN 70 HE21 GLN 70 60.178 -7.820 -0.936 174 HE22 GLN 70 HE22 GLN 70 61.578 -8.405 -1.761 175 H ILE 71 HN ILE 71 56.229 -5.664 -2.763 176 HA ILE 71 HA ILE 71 58.467 -3.881 -3.055 177 HB ILE 71 HB ILE 71 55.657 -3.501 -4.085 178 HG12 ILE 71 HG12 ILE 71 58.022 -4.820 -5.436 179 HG13 ILE 71 HG11 ILE 71 56.611 -5.665 -4.808 180 HG21 ILE 71 HG21 ILE 71 56.988 -2.221 -5.870 181 HG22 ILE 71 HG22 ILE 71 58.304 -2.231 -4.696 182 HG23 ILE 71 HG23 ILE 71 56.769 -1.460 -4.295 183 HD11 ILE 71 HD11 ILE 71 55.645 -3.666 -6.524 184 HD12 ILE 71 HD12 ILE 71 55.645 -5.413 -6.775 185 HD13 ILE 71 HD13 ILE 71 56.998 -4.437 -7.351 186 H PHE 72 HN PHE 72 55.462 -3.930 -1.271 187 HA PHE 72 HA PHE 72 55.381 -1.176 -0.616 188 HB2 PHE 72 HB2 PHE 72 53.371 -2.459 -0.391 189 HB3 PHE 72 HB1 PHE 72 54.154 -3.610 0.684 190 HD1 PHE 72 HD2 PHE 72 54.101 0.115 0.709 191 HD2 PHE 72 HD1 PHE 72 53.070 -3.494 2.713 192 HE1 PHE 72 HE2 PHE 72 53.333 1.417 2.651 193 HE2 PHE 72 HE1 PHE 72 52.300 -2.200 4.658 194 HZ PHE 72 HZ PHE 72 52.432 0.259 4.629 195 H GLU 73 HN GLU 73 56.758 -4.003 0.986 196 HA GLU 73 HA GLU 73 57.642 -2.530 3.278 197 HB2 GLU 73 HB2 GLU 73 58.820 -4.603 3.883 198 HB3 GLU 73 HB1 GLU 73 57.138 -4.908 3.470 199 HG2 GLU 73 HG2 GLU 73 58.032 -6.580 2.269 200 HG3 GLU 73 HG1 GLU 73 58.264 -5.306 1.073 201 H ASP 74 HN ASP 74 59.058 -3.670 0.269 202 HA ASP 74 HA ASP 74 61.715 -2.906 0.916 203 HB2 ASP 74 HB2 ASP 74 60.286 -3.768 -1.554 204 HB3 ASP 74 HB1 ASP 74 61.833 -2.947 -1.743 205 H HIS 75 HN HIS 75 59.043 -1.377 -0.772 206 HA HIS 75 HA HIS 75 60.369 0.877 -1.747 207 HB2 HIS 75 HB2 HIS 75 58.129 0.276 -2.491 208 HB3 HIS 75 HB1 HIS 75 57.493 0.559 -0.874 209 HD1 HIS 75 HD1 HIS 75 57.782 2.194 -4.049 210 HD2 HIS 75 HD2 HIS 75 57.975 3.404 -0.072 211 HE1 HIS 75 HE1 HIS 75 57.390 4.696 -4.039 212 H VAL 76 HN VAL 76 58.451 0.516 1.220 213 HA VAL 76 HA VAL 76 59.013 3.059 2.276 214 HB VAL 76 HB VAL 76 58.459 0.525 3.832 215 HG11 VAL 76 HG11 VAL 76 57.467 3.104 4.823 216 HG12 VAL 76 HG12 VAL 76 59.223 2.944 4.817 217 HG13 VAL 76 HG13 VAL 76 58.234 1.773 5.689 218 HG21 VAL 76 HG21 VAL 76 56.235 0.721 3.419 219 HG22 VAL 76 HG22 VAL 76 56.834 1.436 1.923 220 HG23 VAL 76 HG23 VAL 76 56.307 2.474 3.247 221 H PHE 77 HN PHE 77 60.687 -0.012 2.440 222 HA PHE 77 HA PHE 77 62.566 0.544 4.421 223 HB2 PHE 77 HB2 PHE 77 62.163 -1.472 2.437 224 HB3 PHE 77 HB1 PHE 77 63.848 -0.968 2.369 225 HD1 PHE 77 HD2 PHE 77 61.222 -2.058 4.768 226 HD2 PHE 77 HD1 PHE 77 65.375 -1.845 3.865 227 HE1 PHE 77 HE2 PHE 77 61.716 -3.460 6.728 228 HE2 PHE 77 HE1 PHE 77 65.877 -3.247 5.824 229 HZ PHE 77 HZ PHE 77 64.047 -4.056 7.259 230 H CYS 78 HN CYS 78 62.450 1.436 1.029 231 HA CYS 78 HA CYS 78 65.090 2.402 0.848 232 HB2 CYS 78 HB2 CYS 78 63.111 2.026 -0.966 233 HB3 CYS 78 HB1 CYS 78 63.038 3.774 -0.780 234 HG CYS 78 HG CYS 78 64.700 3.101 -2.711 235 H HIS 79 HN HIS 79 62.032 4.017 1.576 236 HA HIS 79 HA HIS 79 63.152 6.588 1.957 237 HB2 HIS 79 HB2 HIS 79 60.657 5.312 3.100 238 HB3 HIS 79 HB1 HIS 79 61.081 7.002 3.343 239 HD1 HIS 79 HD1 HIS 79 61.133 8.498 1.083 240 HD2 HIS 79 HD2 HIS 79 59.364 4.751 0.806 241 HE1 HIS 79 HE1 HIS 79 59.729 8.530 -1.022 242 H SER 80 HN SER 80 63.293 3.685 3.733 243 HA SER 80 HA SER 80 63.716 4.844 6.325 244 HB2 SER 80 HB2 SER 80 63.029 2.356 5.500 245 HB3 SER 80 HB1 SER 80 64.749 2.126 5.811 246 HG SER 80 HG SER 80 64.251 3.206 7.903 247 H LEU 81 HN LEU 81 65.645 4.407 3.563 248 HA LEU 81 HA LEU 81 68.152 4.137 4.906 249 HB2 LEU 81 HB2 LEU 81 67.592 4.968 2.067 250 HB3 LEU 81 HB1 LEU 81 69.137 4.432 2.708 251 HG LEU 81 HG LEU 81 66.794 2.625 2.972 252 HD11 LEU 81 HD11 LEU 81 66.986 1.773 0.773 253 HD12 LEU 81 HD12 LEU 81 68.429 2.733 0.445 254 HD13 LEU 81 HD13 LEU 81 66.860 3.523 0.602 255 HD21 LEU 81 HD21 LEU 81 68.497 0.911 2.756 256 HD22 LEU 81 HD22 LEU 81 68.964 2.079 3.993 257 HD23 LEU 81 HD23 LEU 81 69.716 2.135 2.399 Start of MODEL 2 1 H1 GLN 49 HT1 GLN 49 38.266 -0.052 11.646 2 H2 GLN 49 HT2 GLN 49 37.338 -0.742 12.913 3 H3 GLN 49 HT3 GLN 49 36.571 0.195 11.696 4 HA GLN 49 HA GLN 49 37.829 -2.448 11.443 5 HB2 GLN 49 HB2 GLN 49 35.149 -1.404 11.810 6 HB3 GLN 49 HB1 GLN 49 35.258 -2.345 10.328 7 HG2 GLN 49 HG2 GLN 49 34.563 -3.707 12.227 8 HG3 GLN 49 HG1 GLN 49 36.102 -4.247 11.561 9 HE21 GLN 49 HE21 GLN 49 34.501 -3.744 14.344 10 HE22 GLN 49 HE22 GLN 49 35.827 -3.461 15.414 11 H MET 50 HN MET 50 37.056 -3.333 9.172 12 HA MET 50 HA MET 50 37.358 -3.302 6.918 13 HB2 MET 50 HB2 MET 50 36.281 -0.604 7.513 14 HB3 MET 50 HB1 MET 50 37.045 -0.812 5.943 15 HG2 MET 50 HG2 MET 50 35.136 -2.912 6.706 16 HG3 MET 50 HG1 MET 50 34.447 -1.309 6.451 17 HE1 MET 50 HE1 MET 50 33.319 -0.968 4.226 18 HE2 MET 50 HE2 MET 50 34.326 -0.835 2.784 19 HE3 MET 50 HE3 MET 50 34.740 0.077 4.236 20 H GLN 51 HN GLN 51 38.937 -2.879 5.331 21 HA GLN 51 HA GLN 51 41.051 -0.989 5.886 22 HB2 GLN 51 HB2 GLN 51 42.823 -2.767 5.780 23 HB3 GLN 51 HB1 GLN 51 41.857 -2.777 7.248 24 HG2 GLN 51 HG2 GLN 51 40.608 -4.662 6.505 25 HG3 GLN 51 HG1 GLN 51 41.324 -4.572 4.896 26 HE21 GLN 51 HE21 GLN 51 41.767 -6.864 5.420 27 HE22 GLN 51 HE22 GLN 51 43.234 -7.235 6.251 28 HA PRO 52 HA PRO 52 41.102 -0.733 1.472 29 HB2 PRO 52 HB2 PRO 52 44.042 -0.387 1.785 30 HB3 PRO 52 HB1 PRO 52 42.871 0.637 0.947 31 HG2 PRO 52 HG2 PRO 52 43.872 1.367 3.304 32 HG3 PRO 52 HG1 PRO 52 42.171 1.667 2.903 33 HD2 PRO 52 HD2 PRO 52 43.365 -0.418 4.677 34 HD3 PRO 52 HD1 PRO 52 41.847 0.487 4.857 35 H LEU 53 HN LEU 53 42.398 -1.629 -0.429 36 HA LEU 53 HA LEU 53 43.279 -4.362 0.198 37 HB2 LEU 53 HB2 LEU 53 41.084 -3.982 -1.100 38 HB3 LEU 53 HB1 LEU 53 42.117 -3.530 -2.441 39 HG LEU 53 HG LEU 53 42.925 -6.069 -1.281 40 HD11 LEU 53 HD11 LEU 53 40.914 -7.270 -2.296 41 HD12 LEU 53 HD12 LEU 53 40.078 -5.724 -2.161 42 HD13 LEU 53 HD13 LEU 53 40.701 -6.517 -0.715 43 HD21 LEU 53 HD21 LEU 53 42.325 -4.906 -3.954 44 HD22 LEU 53 HD22 LEU 53 42.355 -6.662 -3.785 45 HD23 LEU 53 HD23 LEU 53 43.782 -5.712 -3.370 46 H CYS 54 HN CYS 54 44.875 -1.876 -0.007 47 HA CYS 54 HA CYS 54 47.120 -2.865 -1.314 48 HB2 CYS 54 HB2 CYS 54 47.167 -1.185 -3.246 49 HB3 CYS 54 HB1 CYS 54 46.124 -2.590 -3.435 50 HG CYS 54 HG CYS 54 45.218 0.288 -3.421 51 H PHE 55 HN PHE 55 48.925 -1.535 -1.041 52 HA PHE 55 HA PHE 55 48.424 0.876 0.571 53 HB2 PHE 55 HB2 PHE 55 50.770 -1.029 0.537 54 HB3 PHE 55 HB1 PHE 55 50.774 0.502 1.406 55 HD1 PHE 55 HD1 PHE 55 49.093 0.855 3.241 56 HD2 PHE 55 HD2 PHE 55 49.789 -2.946 1.459 57 HE1 PHE 55 HE1 PHE 55 48.046 -0.242 5.180 58 HE2 PHE 55 HE2 PHE 55 48.743 -4.049 3.393 59 HZ PHE 55 HZ PHE 55 47.870 -2.696 5.257 60 H ASN 56 HN ASN 56 49.531 2.774 0.125 61 HA ASN 56 HA ASN 56 50.981 2.816 -2.440 62 HB2 ASN 56 HB2 ASN 56 49.262 5.034 -1.312 63 HB3 ASN 56 HB1 ASN 56 50.059 5.015 -2.883 64 HD21 ASN 56 HD21 ASN 56 47.792 5.495 -3.518 65 HD22 ASN 56 HD22 ASN 56 46.754 4.152 -3.847 66 H CYS 57 HN CYS 57 52.935 3.761 -2.482 67 HA CYS 57 HA CYS 57 54.171 4.502 -0.013 68 HB2 CYS 57 HB2 CYS 57 55.526 3.369 -1.620 69 HB3 CYS 57 HB1 CYS 57 55.121 4.532 -2.874 70 HA PRO 58 HA PRO 58 52.808 8.778 -0.399 71 HB2 PRO 58 HB2 PRO 58 54.250 9.209 2.105 72 HB3 PRO 58 HB1 PRO 58 52.522 9.337 1.777 73 HG2 PRO 58 HG2 PRO 58 53.586 7.360 3.290 74 HG3 PRO 58 HG1 PRO 58 52.124 7.143 2.313 75 HD2 PRO 58 HD2 PRO 58 54.932 6.280 1.749 76 HD3 PRO 58 HD1 PRO 58 53.403 5.427 1.444 77 H ILE 59 HN ILE 59 56.035 7.572 -0.130 78 HA ILE 59 HA ILE 59 57.353 10.103 -0.229 79 HB ILE 59 HB ILE 59 58.469 7.401 -0.972 80 HG12 ILE 59 HG12 ILE 59 59.325 8.342 1.594 81 HG13 ILE 59 HG11 ILE 59 57.565 8.367 1.546 82 HG21 ILE 59 HG21 ILE 59 60.588 8.664 -0.096 83 HG22 ILE 59 HG22 ILE 59 59.658 10.099 -0.525 84 HG23 ILE 59 HG23 ILE 59 60.035 8.892 -1.755 85 HD11 ILE 59 HD11 ILE 59 57.447 6.160 1.711 86 HD12 ILE 59 HD12 ILE 59 59.165 6.198 2.104 87 HD13 ILE 59 HD13 ILE 59 58.645 5.922 0.442 88 H CYS 60 HN CYS 60 56.876 7.546 -2.716 89 HA CYS 60 HA CYS 60 57.325 9.663 -4.723 90 HB2 CYS 60 HB2 CYS 60 58.291 8.082 -6.202 91 HB3 CYS 60 HB1 CYS 60 59.042 7.817 -4.633 92 H ASP 61 HN ASP 61 54.927 7.873 -3.369 93 HA ASP 61 HA ASP 61 52.708 7.772 -3.913 94 HB2 ASP 61 HB2 ASP 61 53.297 9.715 -5.522 95 HB3 ASP 61 HB1 ASP 61 53.292 8.477 -6.775 96 H LYS 62 HN LYS 62 54.781 5.648 -4.302 97 HA LYS 62 HA LYS 62 54.042 4.058 -6.524 98 HB2 LYS 62 HB2 LYS 62 56.143 3.873 -5.036 99 HB3 LYS 62 HB1 LYS 62 55.129 2.935 -3.952 100 HG2 LYS 62 HG2 LYS 62 56.502 1.565 -5.490 101 HG3 LYS 62 HG1 LYS 62 54.770 1.264 -5.620 102 HD2 LYS 62 HD2 LYS 62 54.623 2.515 -7.640 103 HD3 LYS 62 HD1 LYS 62 56.261 3.140 -7.444 104 HE2 LYS 62 HE2 LYS 62 56.780 0.509 -7.422 105 HE3 LYS 62 HE1 LYS 62 55.332 0.511 -8.427 106 HZ1 LYS 62 HZ1 LYS 62 56.361 1.698 -10.068 107 HZ2 LYS 62 HZ2 LYS 62 57.681 0.820 -9.481 108 HZ3 LYS 62 HZ3 LYS 62 57.467 2.433 -9.022 109 H ILE 63 HN ILE 63 53.045 1.837 -6.280 110 HA ILE 63 HA ILE 63 50.951 1.770 -4.224 111 HB ILE 63 HB ILE 63 50.376 1.179 -7.126 112 HG12 ILE 63 HG12 ILE 63 48.884 3.366 -6.595 113 HG13 ILE 63 HG11 ILE 63 50.285 3.710 -5.584 114 HG21 ILE 63 HG21 ILE 63 48.886 0.952 -4.600 115 HG22 ILE 63 HG22 ILE 63 48.704 0.063 -6.113 116 HG23 ILE 63 HG23 ILE 63 47.997 1.670 -5.944 117 HD11 ILE 63 HD11 ILE 63 50.225 4.583 -8.008 118 HD12 ILE 63 HD12 ILE 63 50.645 2.927 -8.441 119 HD13 ILE 63 HD13 ILE 63 51.712 3.861 -7.393 120 H PHE 64 HN PHE 64 50.319 -0.246 -3.567 121 HA PHE 64 HA PHE 64 51.370 -2.600 -4.922 122 HB2 PHE 64 HB2 PHE 64 51.965 -1.956 -2.025 123 HB3 PHE 64 HB1 PHE 64 52.275 -3.510 -2.790 124 HD1 PHE 64 HD2 PHE 64 53.932 -3.613 -4.683 125 HD2 PHE 64 HD1 PHE 64 53.499 -0.203 -2.175 126 HE1 PHE 64 HE2 PHE 64 56.162 -2.830 -5.369 127 HE2 PHE 64 HE1 PHE 64 55.727 0.586 -2.855 128 HZ PHE 64 HZ PHE 64 57.062 -0.730 -4.452 129 HA PRO 65 HA PRO 65 47.387 -4.120 -3.706 130 HB2 PRO 65 HB2 PRO 65 47.843 -6.800 -3.889 131 HB3 PRO 65 HB1 PRO 65 47.605 -5.761 -5.297 132 HG2 PRO 65 HG2 PRO 65 50.148 -6.790 -4.110 133 HG3 PRO 65 HG1 PRO 65 49.685 -6.648 -5.815 134 HD2 PRO 65 HD2 PRO 65 51.316 -4.863 -4.594 135 HD3 PRO 65 HD1 PRO 65 50.207 -4.405 -5.901 136 H ALA 66 HN ALA 66 46.329 -5.063 -1.939 137 HA ALA 66 HA ALA 66 47.469 -4.803 0.549 138 HB1 ALA 66 HB1 ALA 66 45.567 -6.507 1.201 139 HB2 ALA 66 HB2 ALA 66 45.065 -6.225 -0.466 140 HB3 ALA 66 HB3 ALA 66 45.190 -4.872 0.658 141 H THR 67 HN THR 67 47.629 -7.528 -1.613 142 HA THR 67 HA THR 67 48.542 -9.389 0.376 143 HB THR 67 HB THR 67 49.232 -10.594 -1.913 144 HG1 THR 67 HG1 THR 67 48.202 -9.834 -3.619 145 HG21 THR 67 HG21 THR 67 47.162 -11.704 -1.958 146 HG22 THR 67 HG22 THR 67 46.324 -10.332 -1.230 147 HG23 THR 67 HG23 THR 67 47.454 -11.287 -0.269 148 H GLU 68 HN GLU 68 49.987 -6.963 -1.571 149 HA GLU 68 HA GLU 68 52.637 -8.136 -1.283 150 HB2 GLU 68 HB2 GLU 68 51.489 -5.962 -2.975 151 HB3 GLU 68 HB1 GLU 68 53.213 -5.955 -2.638 152 HG2 GLU 68 HG2 GLU 68 53.287 -8.310 -3.504 153 HG3 GLU 68 HG1 GLU 68 51.624 -8.086 -4.040 154 H LYS 69 HN LYS 69 51.242 -7.150 1.045 155 HA LYS 69 HA LYS 69 52.008 -4.592 1.838 156 HB2 LYS 69 HB2 LYS 69 51.688 -5.378 4.135 157 HB3 LYS 69 HB1 LYS 69 50.398 -5.949 3.086 158 HG2 LYS 69 HG2 LYS 69 50.968 -8.114 3.336 159 HG3 LYS 69 HG1 LYS 69 52.697 -7.764 3.396 160 HD2 LYS 69 HD2 LYS 69 52.704 -7.520 5.648 161 HD3 LYS 69 HD1 LYS 69 51.094 -6.796 5.679 162 HE2 LYS 69 HE2 LYS 69 50.542 -8.779 6.614 163 HE3 LYS 69 HE1 LYS 69 50.446 -9.286 4.928 164 HZ1 LYS 69 HZ1 LYS 69 52.482 -10.358 5.052 165 HZ2 LYS 69 HZ2 LYS 69 51.789 -10.711 6.554 166 HZ3 LYS 69 HZ3 LYS 69 52.975 -9.511 6.432 167 H GLN 70 HN GLN 70 53.840 -7.529 1.602 168 HA GLN 70 HA GLN 70 55.989 -6.797 3.300 169 HB2 GLN 70 HB2 GLN 70 55.579 -9.121 2.639 170 HB3 GLN 70 HB1 GLN 70 55.933 -8.716 0.965 171 HG2 GLN 70 HG2 GLN 70 57.841 -9.792 1.904 172 HG3 GLN 70 HG1 GLN 70 58.229 -8.090 1.656 173 HE21 GLN 70 HE21 GLN 70 58.370 -6.717 3.463 174 HE22 GLN 70 HE22 GLN 70 58.638 -7.345 5.050 175 H ILE 71 HN ILE 71 55.396 -6.431 -0.155 176 HA ILE 71 HA ILE 71 57.954 -5.301 -0.731 177 HB ILE 71 HB ILE 71 55.398 -5.146 -2.338 178 HG12 ILE 71 HG12 ILE 71 56.863 -6.927 -3.671 179 HG13 ILE 71 HG11 ILE 71 57.541 -7.204 -2.070 180 HG21 ILE 71 HG21 ILE 71 58.254 -4.702 -3.200 181 HG22 ILE 71 HG22 ILE 71 57.051 -3.436 -2.954 182 HG23 ILE 71 HG23 ILE 71 56.825 -4.630 -4.233 183 HD11 ILE 71 HD11 ILE 71 54.666 -7.126 -1.969 184 HD12 ILE 71 HD12 ILE 71 55.780 -8.395 -1.460 185 HD13 ILE 71 HD13 ILE 71 55.236 -8.319 -3.137 186 H PHE 72 HN PHE 72 54.842 -4.038 0.235 187 HA PHE 72 HA PHE 72 55.333 -1.324 -0.426 188 HB2 PHE 72 HB2 PHE 72 53.065 -1.999 -0.104 189 HB3 PHE 72 HB1 PHE 72 53.415 -2.645 1.495 190 HD1 PHE 72 HD2 PHE 72 53.758 0.603 -0.321 191 HD2 PHE 72 HD1 PHE 72 52.667 -1.408 3.268 192 HE1 PHE 72 HE2 PHE 72 53.114 2.754 0.684 193 HE2 PHE 72 HE1 PHE 72 52.019 0.739 4.279 194 HZ PHE 72 HZ PHE 72 52.243 2.824 2.987 195 H GLU 73 HN GLU 73 55.904 -3.266 2.456 196 HA GLU 73 HA GLU 73 56.728 -1.065 4.079 197 HB2 GLU 73 HB2 GLU 73 57.075 -4.052 4.376 198 HB3 GLU 73 HB1 GLU 73 57.615 -2.890 5.580 199 HG2 GLU 73 HG2 GLU 73 55.043 -2.122 5.259 200 HG3 GLU 73 HG1 GLU 73 54.916 -3.856 4.960 201 H ASP 74 HN ASP 74 58.307 -3.451 2.051 202 HA ASP 74 HA ASP 74 60.951 -2.751 2.791 203 HB2 ASP 74 HB2 ASP 74 59.673 -4.532 0.847 204 HB3 ASP 74 HB1 ASP 74 61.191 -3.844 0.279 205 H HIS 75 HN HIS 75 58.849 -1.887 0.092 206 HA HIS 75 HA HIS 75 60.608 -0.336 -1.387 207 HB2 HIS 75 HB2 HIS 75 58.430 -0.945 -2.255 208 HB3 HIS 75 HB1 HIS 75 57.629 -0.018 -0.990 209 HD1 HIS 75 HD1 HIS 75 58.739 0.267 -4.424 210 HD2 HIS 75 HD2 HIS 75 58.252 2.861 -1.208 211 HE1 HIS 75 HE1 HIS 75 58.653 2.604 -5.395 212 H VAL 76 HN VAL 76 58.307 0.749 1.090 213 HA VAL 76 HA VAL 76 59.109 3.432 1.161 214 HB VAL 76 HB VAL 76 58.011 1.762 3.434 215 HG11 VAL 76 HG11 VAL 76 58.730 4.591 3.199 216 HG12 VAL 76 HG12 VAL 76 58.474 3.598 4.635 217 HG13 VAL 76 HG13 VAL 76 57.095 4.312 3.799 218 HG21 VAL 76 HG21 VAL 76 56.268 3.618 1.943 219 HG22 VAL 76 HG22 VAL 76 55.923 2.023 2.613 220 HG23 VAL 76 HG23 VAL 76 56.777 2.169 1.077 221 H PHE 77 HN PHE 77 60.306 0.566 2.781 222 HA PHE 77 HA PHE 77 62.034 1.728 4.637 223 HB2 PHE 77 HB2 PHE 77 61.417 -0.835 3.956 224 HB3 PHE 77 HB1 PHE 77 63.042 -0.704 3.296 225 HD1 PHE 77 HD2 PHE 77 64.659 0.659 5.053 226 HD2 PHE 77 HD1 PHE 77 61.318 -1.790 6.026 227 HE1 PHE 77 HE2 PHE 77 65.600 0.272 7.292 228 HE2 PHE 77 HE1 PHE 77 62.253 -2.182 8.268 229 HZ PHE 77 HZ PHE 77 64.397 -1.151 8.903 230 H CYS 78 HN CYS 78 62.343 1.212 1.191 231 HA CYS 78 HA CYS 78 65.109 1.737 1.015 232 HB2 CYS 78 HB2 CYS 78 63.446 0.758 -0.769 233 HB3 CYS 78 HB1 CYS 78 63.237 2.448 -1.213 234 HG CYS 78 HG CYS 78 65.823 0.804 -1.617 235 H HIS 79 HN HIS 79 62.266 3.799 0.642 236 HA HIS 79 HA HIS 79 63.710 6.187 0.171 237 HB2 HIS 79 HB2 HIS 79 60.958 5.722 1.339 238 HB3 HIS 79 HB1 HIS 79 61.603 7.319 0.974 239 HD1 HIS 79 HD1 HIS 79 62.049 7.807 -1.639 240 HD2 HIS 79 HD2 HIS 79 59.861 4.394 -0.742 241 HE1 HIS 79 HE1 HIS 79 60.890 7.122 -3.782 242 H SER 80 HN SER 80 63.269 4.222 2.916 243 HA SER 80 HA SER 80 63.611 6.263 4.905 244 HB2 SER 80 HB2 SER 80 62.986 3.471 4.866 245 HB3 SER 80 HB1 SER 80 64.341 3.733 5.964 246 HG SER 80 HG SER 80 61.762 4.886 6.042 247 H LEU 81 HN LEU 81 65.698 4.616 2.801 248 HA LEU 81 HA LEU 81 68.015 4.648 4.472 249 HB2 LEU 81 HB2 LEU 81 67.822 4.362 1.482 250 HB3 LEU 81 HB1 LEU 81 69.220 3.978 2.473 251 HG LEU 81 HG LEU 81 66.643 2.634 3.090 252 HD11 LEU 81 HD11 LEU 81 68.482 1.682 0.896 253 HD12 LEU 81 HD12 LEU 81 66.951 2.507 0.608 254 HD13 LEU 81 HD13 LEU 81 66.970 0.946 1.426 255 HD21 LEU 81 HD21 LEU 81 67.943 1.129 4.172 256 HD22 LEU 81 HD22 LEU 81 69.067 2.487 4.212 257 HD23 LEU 81 HD23 LEU 81 69.245 1.231 2.986 Start of MODEL 3 1 H1 GLN 49 HT1 GLN 49 37.927 0.239 3.403 2 H2 GLN 49 HT2 GLN 49 38.536 -1.287 2.904 3 H3 GLN 49 HT3 GLN 49 36.876 -1.113 3.305 4 HA GLN 49 HA GLN 49 37.473 -1.209 0.896 5 HB2 GLN 49 HB2 GLN 49 35.720 0.656 2.377 6 HB3 GLN 49 HB1 GLN 49 35.948 1.026 0.674 7 HG2 GLN 49 HG2 GLN 49 35.148 -1.706 1.611 8 HG3 GLN 49 HG1 GLN 49 33.967 -0.432 1.308 9 HE21 GLN 49 HE21 GLN 49 33.300 -2.223 -0.222 10 HE22 GLN 49 HE22 GLN 49 33.957 -2.156 -1.818 11 H MET 50 HN MET 50 39.851 -0.017 2.103 12 HA MET 50 HA MET 50 40.640 1.630 -0.085 13 HB2 MET 50 HB2 MET 50 39.878 2.890 2.487 14 HB3 MET 50 HB1 MET 50 41.362 3.465 1.741 15 HG2 MET 50 HG2 MET 50 39.704 3.506 -0.384 16 HG3 MET 50 HG1 MET 50 38.564 3.828 0.922 17 HE1 MET 50 HE1 MET 50 38.577 6.024 -1.073 18 HE2 MET 50 HE2 MET 50 38.912 7.472 -0.125 19 HE3 MET 50 HE3 MET 50 37.849 6.222 0.520 20 H GLN 51 HN GLN 51 41.373 0.731 3.257 21 HA GLN 51 HA GLN 51 44.222 0.670 2.656 22 HB2 GLN 51 HB2 GLN 51 42.586 0.873 5.071 23 HB3 GLN 51 HB1 GLN 51 43.936 -0.240 5.248 24 HG2 GLN 51 HG2 GLN 51 45.195 1.832 4.095 25 HG3 GLN 51 HG1 GLN 51 43.915 2.688 4.955 26 HE21 GLN 51 HE21 GLN 51 46.963 2.147 5.262 27 HE22 GLN 51 HE22 GLN 51 47.121 1.830 6.953 28 HA PRO 52 HA PRO 52 43.279 -3.960 4.153 29 HB2 PRO 52 HB2 PRO 52 40.485 -4.006 3.107 30 HB3 PRO 52 HB1 PRO 52 41.178 -4.843 4.501 31 HG2 PRO 52 HG2 PRO 52 39.644 -2.700 4.843 32 HG3 PRO 52 HG1 PRO 52 41.082 -2.956 5.849 33 HD2 PRO 52 HD2 PRO 52 40.670 -1.077 3.570 34 HD3 PRO 52 HD1 PRO 52 41.619 -0.862 5.055 35 H LEU 53 HN LEU 53 43.406 -5.795 2.770 36 HA LEU 53 HA LEU 53 43.901 -6.865 0.828 37 HB2 LEU 53 HB2 LEU 53 41.406 -6.119 0.522 38 HB3 LEU 53 HB1 LEU 53 42.081 -5.027 -0.672 39 HG LEU 53 HG LEU 53 42.941 -7.834 -0.936 40 HD11 LEU 53 HD11 LEU 53 40.675 -8.277 -0.301 41 HD12 LEU 53 HD12 LEU 53 40.811 -8.471 -2.049 42 HD13 LEU 53 HD13 LEU 53 40.076 -7.015 -1.377 43 HD21 LEU 53 HD21 LEU 53 42.253 -5.513 -2.650 44 HD22 LEU 53 HD22 LEU 53 42.064 -7.125 -3.338 45 HD23 LEU 53 HD23 LEU 53 43.634 -6.607 -2.722 46 H CYS 54 HN CYS 54 45.226 -4.230 1.580 47 HA CYS 54 HA CYS 54 47.107 -4.116 -0.465 48 HB2 CYS 54 HB2 CYS 54 46.563 -1.901 -1.477 49 HB3 CYS 54 HB1 CYS 54 45.405 -3.160 -1.888 50 HG CYS 54 HG CYS 54 43.972 -1.969 0.188 51 H PHE 55 HN PHE 55 48.145 -1.668 -0.383 52 HA PHE 55 HA PHE 55 48.149 -0.713 2.370 53 HB2 PHE 55 HB2 PHE 55 50.553 -1.862 0.957 54 HB3 PHE 55 HB1 PHE 55 50.703 -0.752 2.315 55 HD1 PHE 55 HD1 PHE 55 49.101 -1.466 4.374 56 HD2 PHE 55 HD2 PHE 55 50.740 -4.086 1.448 57 HE1 PHE 55 HE1 PHE 55 48.876 -3.349 5.941 58 HE2 PHE 55 HE2 PHE 55 50.515 -5.975 3.010 59 HZ PHE 55 HZ PHE 55 49.583 -5.607 5.260 60 H ASN 56 HN ASN 56 49.792 1.210 2.505 61 HA ASN 56 HA ASN 56 50.001 2.681 0.006 62 HB2 ASN 56 HB2 ASN 56 47.922 3.183 1.960 63 HB3 ASN 56 HB1 ASN 56 48.953 4.596 1.764 64 HD21 ASN 56 HD21 ASN 56 47.044 2.229 -0.019 65 HD22 ASN 56 HD22 ASN 56 46.633 3.279 -1.327 66 H CYS 57 HN CYS 57 51.843 3.802 -0.063 67 HA CYS 57 HA CYS 57 53.598 3.808 2.196 68 HB2 CYS 57 HB2 CYS 57 54.597 3.547 0.040 69 HB3 CYS 57 HB1 CYS 57 53.813 4.997 -0.573 70 HA PRO 58 HA PRO 58 51.839 7.649 3.750 71 HB2 PRO 58 HB2 PRO 58 53.318 7.757 6.021 72 HB3 PRO 58 HB1 PRO 58 51.910 6.704 5.839 73 HG2 PRO 58 HG2 PRO 58 54.819 6.041 5.571 74 HG3 PRO 58 HG1 PRO 58 53.535 5.133 6.394 75 HD2 PRO 58 HD2 PRO 58 54.422 4.473 3.927 76 HD3 PRO 58 HD1 PRO 58 52.737 4.232 4.427 77 H ILE 59 HN ILE 59 55.085 7.004 2.814 78 HA ILE 59 HA ILE 59 56.123 9.590 3.496 79 HB ILE 59 HB ILE 59 57.295 7.617 1.539 80 HG12 ILE 59 HG12 ILE 59 58.703 7.474 3.949 81 HG13 ILE 59 HG11 ILE 59 57.010 7.490 4.432 82 HG21 ILE 59 HG21 ILE 59 58.267 10.094 2.885 83 HG22 ILE 59 HG22 ILE 59 58.480 9.559 1.218 84 HG23 ILE 59 HG23 ILE 59 59.415 8.808 2.511 85 HD11 ILE 59 HD11 ILE 59 57.927 5.647 2.274 86 HD12 ILE 59 HD12 ILE 59 56.557 5.497 3.374 87 HD13 ILE 59 HD13 ILE 59 58.197 5.242 3.970 88 H CYS 60 HN CYS 60 55.300 8.031 0.361 89 HA CYS 60 HA CYS 60 55.096 10.759 -0.740 90 HB2 CYS 60 HB2 CYS 60 55.669 9.919 -2.900 91 HB3 CYS 60 HB1 CYS 60 56.849 9.292 -1.755 92 H ASP 61 HN ASP 61 53.229 8.206 0.265 93 HA ASP 61 HA ASP 61 50.960 7.962 0.244 94 HB2 ASP 61 HB2 ASP 61 51.173 10.531 -0.606 95 HB3 ASP 61 HB1 ASP 61 50.415 9.788 -2.011 96 H LYS 62 HN LYS 62 52.732 6.362 -1.289 97 HA LYS 62 HA LYS 62 51.445 5.881 -3.833 98 HB2 LYS 62 HB2 LYS 62 53.969 5.536 -3.165 99 HB3 LYS 62 HB1 LYS 62 53.399 3.962 -2.633 100 HG2 LYS 62 HG2 LYS 62 53.450 3.203 -4.710 101 HG3 LYS 62 HG1 LYS 62 52.367 4.491 -5.240 102 HD2 LYS 62 HD2 LYS 62 54.570 5.927 -5.140 103 HD3 LYS 62 HD1 LYS 62 55.340 4.350 -5.314 104 HE2 LYS 62 HE2 LYS 62 54.914 5.569 -7.465 105 HE3 LYS 62 HE1 LYS 62 54.235 3.945 -7.377 106 HZ1 LYS 62 HZ1 LYS 62 52.797 5.868 -8.272 107 HZ2 LYS 62 HZ2 LYS 62 52.587 6.271 -6.642 108 HZ3 LYS 62 HZ3 LYS 62 52.100 4.753 -7.207 109 H ILE 63 HN ILE 63 51.185 3.290 -4.212 110 HA ILE 63 HA ILE 63 49.686 2.147 -1.973 111 HB ILE 63 HB ILE 63 48.531 2.239 -4.756 112 HG12 ILE 63 HG12 ILE 63 46.834 3.741 -3.268 113 HG13 ILE 63 HG11 ILE 63 48.368 4.163 -2.514 114 HG21 ILE 63 HG21 ILE 63 47.411 1.374 -2.096 115 HG22 ILE 63 HG22 ILE 63 47.784 0.345 -3.477 116 HG23 ILE 63 HG23 ILE 63 46.470 1.517 -3.580 117 HD11 ILE 63 HD11 ILE 63 47.579 5.649 -4.393 118 HD12 ILE 63 HD12 ILE 63 47.937 4.307 -5.478 119 HD13 ILE 63 HD13 ILE 63 49.227 5.035 -4.522 120 H PHE 64 HN PHE 64 49.445 -0.118 -2.048 121 HA PHE 64 HA PHE 64 50.679 -1.590 -4.227 122 HB2 PHE 64 HB2 PHE 64 51.765 -1.598 -1.410 123 HB3 PHE 64 HB1 PHE 64 52.100 -2.883 -2.564 124 HD1 PHE 64 HD2 PHE 64 52.538 0.719 -1.900 125 HD2 PHE 64 HD1 PHE 64 53.740 -2.630 -4.231 126 HE1 PHE 64 HE2 PHE 64 54.431 2.020 -2.786 127 HE2 PHE 64 HE1 PHE 64 55.635 -1.339 -5.120 128 HZ PHE 64 HZ PHE 64 55.983 0.989 -4.396 129 HA PRO 65 HA PRO 65 47.275 -4.256 -3.174 130 HB2 PRO 65 HB2 PRO 65 48.215 -6.532 -4.417 131 HB3 PRO 65 HB1 PRO 65 47.352 -5.227 -5.235 132 HG2 PRO 65 HG2 PRO 65 50.283 -5.770 -5.097 133 HG3 PRO 65 HG1 PRO 65 49.313 -5.186 -6.459 134 HD2 PRO 65 HD2 PRO 65 50.858 -3.536 -4.993 135 HD3 PRO 65 HD1 PRO 65 49.315 -3.008 -5.693 136 H ALA 66 HN ALA 66 46.802 -5.911 -1.734 137 HA ALA 66 HA ALA 66 48.506 -6.276 0.423 138 HB1 ALA 66 HB1 ALA 66 46.320 -6.676 0.963 139 HB2 ALA 66 HB2 ALA 66 46.921 -8.329 0.835 140 HB3 ALA 66 HB3 ALA 66 46.013 -7.615 -0.499 141 H THR 67 HN THR 67 48.411 -7.971 -2.586 142 HA THR 67 HA THR 67 49.760 -10.324 -1.646 143 HB THR 67 HB THR 67 50.124 -10.431 -4.310 144 HG1 THR 67 HG1 THR 67 48.373 -9.423 -5.316 145 HG21 THR 67 HG21 THR 67 47.516 -10.971 -2.913 146 HG22 THR 67 HG22 THR 67 48.863 -12.093 -3.106 147 HG23 THR 67 HG23 THR 67 47.954 -11.554 -4.518 148 H GLU 68 HN GLU 68 50.690 -7.198 -2.780 149 HA GLU 68 HA GLU 68 53.440 -8.082 -3.179 150 HB2 GLU 68 HB2 GLU 68 51.880 -5.691 -4.043 151 HB3 GLU 68 HB1 GLU 68 53.623 -5.541 -3.877 152 HG2 GLU 68 HG2 GLU 68 53.223 -6.066 -6.132 153 HG3 GLU 68 HG1 GLU 68 53.824 -7.547 -5.388 154 H LYS 69 HN LYS 69 52.311 -7.970 -0.531 155 HA LYS 69 HA LYS 69 52.906 -5.688 0.923 156 HB2 LYS 69 HB2 LYS 69 53.072 -7.129 2.877 157 HB3 LYS 69 HB1 LYS 69 51.744 -7.654 1.853 158 HG2 LYS 69 HG2 LYS 69 52.679 -9.669 2.309 159 HG3 LYS 69 HG1 LYS 69 53.605 -9.249 0.866 160 HD2 LYS 69 HD2 LYS 69 55.409 -9.649 2.135 161 HD3 LYS 69 HD1 LYS 69 55.071 -8.075 2.857 162 HE2 LYS 69 HE2 LYS 69 55.023 -9.205 4.794 163 HE3 LYS 69 HE1 LYS 69 53.409 -9.696 4.279 164 HZ1 LYS 69 HZ1 LYS 69 54.084 -11.787 3.862 165 HZ2 LYS 69 HZ2 LYS 69 55.320 -11.413 4.953 166 HZ3 LYS 69 HZ3 LYS 69 55.606 -11.319 3.289 167 H GLN 70 HN GLN 70 55.026 -8.114 -0.395 168 HA GLN 70 HA GLN 70 57.336 -7.503 1.120 169 HB2 GLN 70 HB2 GLN 70 56.729 -9.468 -0.607 170 HB3 GLN 70 HB1 GLN 70 57.665 -8.434 -1.677 171 HG2 GLN 70 HG2 GLN 70 59.402 -9.599 -0.889 172 HG3 GLN 70 HG1 GLN 70 59.281 -8.502 0.485 173 HE21 GLN 70 HE21 GLN 70 57.690 -9.259 2.197 174 HE22 GLN 70 HE22 GLN 70 57.761 -10.933 2.618 175 H ILE 71 HN ILE 71 56.179 -6.390 -2.027 176 HA ILE 71 HA ILE 71 58.389 -4.684 -2.546 177 HB ILE 71 HB ILE 71 55.590 -4.576 -3.684 178 HG12 ILE 71 HG12 ILE 71 57.028 -5.584 -5.677 179 HG13 ILE 71 HG11 ILE 71 58.044 -6.142 -4.351 180 HG21 ILE 71 HG21 ILE 71 58.136 -3.349 -4.737 181 HG22 ILE 71 HG22 ILE 71 56.830 -2.466 -3.945 182 HG23 ILE 71 HG23 ILE 71 56.543 -3.269 -5.488 183 HD11 ILE 71 HD11 ILE 71 55.255 -6.692 -3.853 184 HD12 ILE 71 HD12 ILE 71 56.639 -7.783 -3.871 185 HD13 ILE 71 HD13 ILE 71 55.804 -7.397 -5.374 186 H PHE 72 HN PHE 72 55.358 -4.306 -0.844 187 HA PHE 72 HA PHE 72 55.323 -1.485 -0.723 188 HB2 PHE 72 HB2 PHE 72 53.320 -2.751 -0.217 189 HB3 PHE 72 HB1 PHE 72 54.125 -3.559 1.125 190 HD1 PHE 72 HD2 PHE 72 53.744 -0.001 0.053 191 HD2 PHE 72 HD1 PHE 72 53.306 -2.885 3.150 192 HE1 PHE 72 HE2 PHE 72 52.965 1.763 1.579 193 HE2 PHE 72 HE1 PHE 72 52.524 -1.127 4.683 194 HZ PHE 72 HZ PHE 72 52.354 1.202 3.898 195 H GLU 73 HN GLU 73 56.756 -3.961 1.331 196 HA GLU 73 HA GLU 73 57.649 -2.141 3.341 197 HB2 GLU 73 HB2 GLU 73 58.446 -4.981 2.678 198 HB3 GLU 73 HB1 GLU 73 59.084 -4.090 4.052 199 HG2 GLU 73 HG2 GLU 73 56.813 -3.860 4.942 200 HG3 GLU 73 HG1 GLU 73 56.195 -4.787 3.577 201 H ASP 74 HN ASP 74 58.941 -3.464 0.379 202 HA ASP 74 HA ASP 74 61.609 -2.590 0.780 203 HB2 ASP 74 HB2 ASP 74 60.413 -4.257 -1.012 204 HB3 ASP 74 HB1 ASP 74 60.667 -2.824 -2.004 205 H HIS 75 HN HIS 75 58.823 -1.274 -0.940 206 HA HIS 75 HA HIS 75 60.018 0.965 -2.073 207 HB2 HIS 75 HB2 HIS 75 57.774 0.313 -2.695 208 HB3 HIS 75 HB1 HIS 75 57.199 0.586 -1.054 209 HD1 HIS 75 HD1 HIS 75 57.483 2.243 -4.273 210 HD2 HIS 75 HD2 HIS 75 57.407 3.418 -0.282 211 HE1 HIS 75 HE1 HIS 75 56.935 4.715 -4.262 212 H VAL 76 HN VAL 76 58.263 0.732 1.006 213 HA VAL 76 HA VAL 76 58.783 3.339 1.900 214 HB VAL 76 HB VAL 76 58.444 0.849 3.586 215 HG11 VAL 76 HG11 VAL 76 58.429 2.132 5.417 216 HG12 VAL 76 HG12 VAL 76 57.435 3.368 4.646 217 HG13 VAL 76 HG13 VAL 76 59.183 3.368 4.412 218 HG21 VAL 76 HG21 VAL 76 56.649 1.755 1.788 219 HG22 VAL 76 HG22 VAL 76 56.186 2.700 3.203 220 HG23 VAL 76 HG23 VAL 76 56.211 0.939 3.289 221 H PHE 77 HN PHE 77 60.595 0.350 2.133 222 HA PHE 77 HA PHE 77 62.598 1.117 3.915 223 HB2 PHE 77 HB2 PHE 77 62.136 -1.042 2.078 224 HB3 PHE 77 HB1 PHE 77 63.802 -0.499 1.915 225 HD1 PHE 77 HD1 PHE 77 61.304 -1.453 4.504 226 HD2 PHE 77 HD2 PHE 77 65.402 -1.297 3.370 227 HE1 PHE 77 HE1 PHE 77 61.907 -2.716 6.527 228 HE2 PHE 77 HE2 PHE 77 66.013 -2.562 5.390 229 HZ PHE 77 HZ PHE 77 64.265 -3.272 6.971 230 H CYS 78 HN CYS 78 62.108 1.844 0.533 231 HA CYS 78 HA CYS 78 64.698 2.852 0.026 232 HB2 CYS 78 HB2 CYS 78 62.326 2.492 -1.457 233 HB3 CYS 78 HB1 CYS 78 62.702 4.209 -1.554 234 HG CYS 78 HG CYS 78 63.923 3.067 -3.507 235 H HIS 79 HN HIS 79 61.672 4.399 0.980 236 HA HIS 79 HA HIS 79 62.710 7.022 1.129 237 HB2 HIS 79 HB2 HIS 79 60.402 5.699 2.569 238 HB3 HIS 79 HB1 HIS 79 60.778 7.411 2.717 239 HD1 HIS 79 HD1 HIS 79 60.473 8.857 0.471 240 HD2 HIS 79 HD2 HIS 79 58.970 4.987 0.384 241 HE1 HIS 79 HE1 HIS 79 58.883 8.757 -1.495 242 H SER 80 HN SER 80 63.158 4.215 3.013 243 HA SER 80 HA SER 80 63.800 5.516 5.487 244 HB2 SER 80 HB2 SER 80 63.447 2.827 4.570 245 HB3 SER 80 HB1 SER 80 64.999 2.948 5.398 246 HG SER 80 HG SER 80 62.419 3.532 6.391 247 H LEU 81 HN LEU 81 65.444 5.017 2.558 248 HA LEU 81 HA LEU 81 68.089 4.912 3.635 249 HB2 LEU 81 HB2 LEU 81 67.197 5.582 0.839 250 HB3 LEU 81 HB1 LEU 81 68.823 5.140 1.333 251 HG LEU 81 HG LEU 81 66.611 3.252 1.933 252 HD11 LEU 81 HD11 LEU 81 66.657 2.281 -0.251 253 HD12 LEU 81 HD12 LEU 81 67.925 3.387 -0.778 254 HD13 LEU 81 HD13 LEU 81 66.306 3.999 -0.440 255 HD21 LEU 81 HD21 LEU 81 68.671 1.783 1.037 256 HD22 LEU 81 HD22 LEU 81 68.516 2.314 2.712 257 HD23 LEU 81 HD23 LEU 81 69.545 3.210 1.595 Start of MODEL 4 1 H1 GLN 49 HT1 GLN 49 37.653 2.195 1.209 2 H2 GLN 49 HT2 GLN 49 39.311 2.644 1.217 3 H3 GLN 49 HT3 GLN 49 38.094 3.848 1.100 4 HA GLN 49 HA GLN 49 39.163 3.602 3.297 5 HB2 GLN 49 HB2 GLN 49 36.317 3.689 2.565 6 HB3 GLN 49 HB1 GLN 49 36.608 3.273 4.248 7 HG2 GLN 49 HG2 GLN 49 37.877 5.297 4.572 8 HG3 GLN 49 HG1 GLN 49 37.723 5.700 2.863 9 HE21 GLN 49 HE21 GLN 49 36.919 7.336 5.033 10 HE22 GLN 49 HE22 GLN 49 35.208 7.546 4.928 11 H MET 50 HN MET 50 40.086 2.109 4.529 12 HA MET 50 HA MET 50 40.506 0.171 5.642 13 HB2 MET 50 HB2 MET 50 37.904 0.829 6.221 14 HB3 MET 50 HB1 MET 50 37.742 -0.821 5.637 15 HG2 MET 50 HG2 MET 50 38.669 -1.686 7.469 16 HG3 MET 50 HG1 MET 50 39.938 -0.463 7.521 17 HE1 MET 50 HE1 MET 50 40.100 0.571 9.914 18 HE2 MET 50 HE2 MET 50 38.956 1.886 10.181 19 HE3 MET 50 HE3 MET 50 39.811 1.760 8.644 20 H GLN 51 HN GLN 51 41.000 -0.001 2.999 21 HA GLN 51 HA GLN 51 39.858 -2.565 2.128 22 HB2 GLN 51 HB2 GLN 51 41.174 -0.310 0.632 23 HB3 GLN 51 HB1 GLN 51 40.968 -1.899 -0.090 24 HG2 GLN 51 HG2 GLN 51 38.769 -0.115 0.929 25 HG3 GLN 51 HG1 GLN 51 39.188 -0.398 -0.760 26 HE21 GLN 51 HE21 GLN 51 39.473 -3.002 -1.015 27 HE22 GLN 51 HE22 GLN 51 38.036 -3.855 -0.577 28 HA PRO 52 HA PRO 52 43.993 -3.996 3.334 29 HB2 PRO 52 HB2 PRO 52 42.884 -6.646 3.514 30 HB3 PRO 52 HB1 PRO 52 43.404 -5.586 4.823 31 HG2 PRO 52 HG2 PRO 52 40.793 -6.303 4.357 32 HG3 PRO 52 HG1 PRO 52 41.289 -4.837 5.219 33 HD2 PRO 52 HD2 PRO 52 40.401 -5.162 2.380 34 HD3 PRO 52 HD1 PRO 52 40.043 -3.860 3.535 35 H LEU 53 HN LEU 53 42.456 -4.174 0.513 36 HA LEU 53 HA LEU 53 43.940 -6.424 -0.595 37 HB2 LEU 53 HB2 LEU 53 41.456 -5.169 -1.176 38 HB3 LEU 53 HB1 LEU 53 42.482 -4.996 -2.588 39 HG LEU 53 HG LEU 53 42.530 -7.703 -1.497 40 HD11 LEU 53 HD11 LEU 53 40.291 -8.334 -2.145 41 HD12 LEU 53 HD12 LEU 53 39.915 -6.666 -2.581 42 HD13 LEU 53 HD13 LEU 53 40.219 -7.090 -0.896 43 HD21 LEU 53 HD21 LEU 53 41.600 -6.883 -4.219 44 HD22 LEU 53 HD22 LEU 53 42.515 -8.309 -3.730 45 HD23 LEU 53 HD23 LEU 53 43.300 -6.731 -3.772 46 H CYS 54 HN CYS 54 45.243 -3.905 0.300 47 HA CYS 54 HA CYS 54 47.171 -3.647 -1.679 48 HB2 CYS 54 HB2 CYS 54 46.597 -1.258 -2.419 49 HB3 CYS 54 HB1 CYS 54 45.683 -2.570 -3.153 50 HG CYS 54 HG CYS 54 43.735 -1.243 -2.483 51 H PHE 55 HN PHE 55 48.908 -2.474 -0.955 52 HA PHE 55 HA PHE 55 48.648 -1.365 1.741 53 HB2 PHE 55 HB2 PHE 55 51.147 -2.007 0.161 54 HB3 PHE 55 HB1 PHE 55 51.079 -1.547 1.858 55 HD1 PHE 55 HD1 PHE 55 49.517 -3.087 3.336 56 HD2 PHE 55 HD2 PHE 55 51.295 -4.237 -0.355 57 HE1 PHE 55 HE1 PHE 55 49.294 -5.453 3.971 58 HE2 PHE 55 HE2 PHE 55 51.074 -6.606 0.273 59 HZ PHE 55 HZ PHE 55 50.073 -7.216 2.439 60 H ASN 56 HN ASN 56 49.651 0.662 2.293 61 HA ASN 56 HA ASN 56 50.094 2.467 0.016 62 HB2 ASN 56 HB2 ASN 56 48.376 3.062 2.434 63 HB3 ASN 56 HB1 ASN 56 48.823 4.237 1.200 64 HD21 ASN 56 HD21 ASN 56 46.269 4.063 1.532 65 HD22 ASN 56 HD22 ASN 56 45.490 3.134 0.301 66 H CYS 57 HN CYS 57 51.888 3.648 0.188 67 HA CYS 57 HA CYS 57 53.526 3.433 2.537 68 HB2 CYS 57 HB2 CYS 57 54.666 3.423 0.438 69 HB3 CYS 57 HB1 CYS 57 53.865 4.900 -0.081 70 HA PRO 58 HA PRO 58 51.629 7.101 4.318 71 HB2 PRO 58 HB2 PRO 58 52.827 6.956 6.727 72 HB3 PRO 58 HB1 PRO 58 51.502 5.880 6.268 73 HG2 PRO 58 HG2 PRO 58 54.450 5.358 6.274 74 HG3 PRO 58 HG1 PRO 58 53.127 4.311 6.821 75 HD2 PRO 58 HD2 PRO 58 54.346 4.039 4.398 76 HD3 PRO 58 HD1 PRO 58 52.658 3.583 4.695 77 H ILE 59 HN ILE 59 54.946 6.542 3.627 78 HA ILE 59 HA ILE 59 55.949 8.991 4.716 79 HB ILE 59 HB ILE 59 57.218 7.286 2.574 80 HG12 ILE 59 HG12 ILE 59 58.463 6.818 5.049 81 HG13 ILE 59 HG11 ILE 59 56.734 6.750 5.381 82 HG21 ILE 59 HG21 ILE 59 58.432 9.243 2.591 83 HG22 ILE 59 HG22 ILE 59 59.296 8.288 3.794 84 HG23 ILE 59 HG23 ILE 59 58.152 9.527 4.308 85 HD11 ILE 59 HD11 ILE 59 56.410 4.955 3.938 86 HD12 ILE 59 HD12 ILE 59 57.934 4.589 4.747 87 HD13 ILE 59 HD13 ILE 59 57.940 5.227 3.105 88 H CYS 60 HN CYS 60 55.321 7.907 1.351 89 HA CYS 60 HA CYS 60 55.186 10.762 0.620 90 HB2 CYS 60 HB2 CYS 60 55.949 10.234 -1.568 91 HB3 CYS 60 HB1 CYS 60 57.016 9.397 -0.447 92 H ASP 61 HN ASP 61 53.237 8.194 1.231 93 HA ASP 61 HA ASP 61 50.983 7.946 0.971 94 HB2 ASP 61 HB2 ASP 61 51.163 10.549 0.500 95 HB3 ASP 61 HB1 ASP 61 50.788 10.043 -1.144 96 H LYS 62 HN LYS 62 52.878 6.459 -0.474 97 HA LYS 62 HA LYS 62 51.902 6.202 -3.186 98 HB2 LYS 62 HB2 LYS 62 54.306 5.604 -1.919 99 HB3 LYS 62 HB1 LYS 62 53.604 4.029 -2.264 100 HG2 LYS 62 HG2 LYS 62 53.357 5.769 -4.543 101 HG3 LYS 62 HG1 LYS 62 55.035 5.669 -4.007 102 HD2 LYS 62 HD2 LYS 62 55.128 3.361 -4.332 103 HD3 LYS 62 HD1 LYS 62 53.371 3.194 -4.317 104 HE2 LYS 62 HE2 LYS 62 53.400 4.605 -6.447 105 HE3 LYS 62 HE1 LYS 62 55.133 4.285 -6.492 106 HZ1 LYS 62 HZ1 LYS 62 53.211 2.063 -6.244 107 HZ2 LYS 62 HZ2 LYS 62 54.791 2.041 -6.846 108 HZ3 LYS 62 HZ3 LYS 62 53.549 2.733 -7.761 109 H ILE 63 HN ILE 63 51.416 3.872 -3.957 110 HA ILE 63 HA ILE 63 49.987 2.296 -1.961 111 HB ILE 63 HB ILE 63 48.609 3.289 -4.456 112 HG12 ILE 63 HG12 ILE 63 47.082 4.305 -2.566 113 HG13 ILE 63 HG11 ILE 63 48.555 4.206 -1.607 114 HG21 ILE 63 HG21 ILE 63 47.525 1.329 -4.114 115 HG22 ILE 63 HG22 ILE 63 46.638 2.308 -2.947 116 HG23 ILE 63 HG23 ILE 63 47.950 1.264 -2.404 117 HD11 ILE 63 HD11 ILE 63 47.852 6.001 -3.824 118 HD12 ILE 63 HD12 ILE 63 49.511 5.403 -3.816 119 HD13 ILE 63 HD13 ILE 63 48.880 6.272 -2.417 120 H PHE 64 HN PHE 64 49.582 0.161 -2.563 121 HA PHE 64 HA PHE 64 50.385 -0.790 -5.181 122 HB2 PHE 64 HB2 PHE 64 51.663 -2.246 -2.918 123 HB3 PHE 64 HB1 PHE 64 52.198 -2.070 -4.583 124 HD1 PHE 64 HD1 PHE 64 51.753 -0.066 -1.473 125 HD2 PHE 64 HD2 PHE 64 53.985 -0.703 -5.039 126 HE1 PHE 64 HE1 PHE 64 53.377 1.636 -0.755 127 HE2 PHE 64 HE2 PHE 64 55.613 0.999 -4.328 128 HZ PHE 64 HZ PHE 64 55.312 2.166 -2.181 129 HA PRO 65 HA PRO 65 47.217 -3.751 -4.386 130 HB2 PRO 65 HB2 PRO 65 48.143 -5.973 -5.664 131 HB3 PRO 65 HB1 PRO 65 47.482 -4.572 -6.512 132 HG2 PRO 65 HG2 PRO 65 50.335 -5.328 -6.037 133 HG3 PRO 65 HG1 PRO 65 49.580 -4.668 -7.498 134 HD2 PRO 65 HD2 PRO 65 51.020 -3.143 -5.781 135 HD3 PRO 65 HD1 PRO 65 49.648 -2.504 -6.708 136 H ALA 66 HN ALA 66 46.689 -5.694 -3.229 137 HA ALA 66 HA ALA 66 48.037 -6.072 -0.853 138 HB1 ALA 66 HB1 ALA 66 46.786 -8.360 -0.880 139 HB2 ALA 66 HB2 ALA 66 46.045 -7.717 -2.346 140 HB3 ALA 66 HB3 ALA 66 45.872 -6.854 -0.819 141 H THR 67 HN THR 67 48.516 -7.700 -3.925 142 HA THR 67 HA THR 67 50.289 -9.688 -2.851 143 HB THR 67 HB THR 67 50.791 -9.838 -5.470 144 HG1 THR 67 HG1 THR 67 49.653 -8.157 -6.229 145 HG21 THR 67 HG21 THR 67 48.960 -11.378 -5.742 146 HG22 THR 67 HG22 THR 67 48.163 -10.728 -4.309 147 HG23 THR 67 HG23 THR 67 49.693 -11.592 -4.152 148 H GLU 68 HN GLU 68 50.683 -6.454 -3.264 149 HA GLU 68 HA GLU 68 53.426 -6.615 -4.224 150 HB2 GLU 68 HB2 GLU 68 51.396 -4.713 -4.533 151 HB3 GLU 68 HB1 GLU 68 52.570 -3.958 -3.466 152 HG2 GLU 68 HG2 GLU 68 53.496 -3.332 -5.415 153 HG3 GLU 68 HG1 GLU 68 54.235 -4.928 -5.315 154 H LYS 69 HN LYS 69 52.646 -7.656 -1.590 155 HA LYS 69 HA LYS 69 53.346 -5.927 0.492 156 HB2 LYS 69 HB2 LYS 69 53.713 -7.935 1.828 157 HB3 LYS 69 HB1 LYS 69 52.263 -8.105 0.848 158 HG2 LYS 69 HG2 LYS 69 53.058 -10.039 0.124 159 HG3 LYS 69 HG1 LYS 69 54.331 -9.148 -0.712 160 HD2 LYS 69 HD2 LYS 69 55.867 -9.492 0.999 161 HD3 LYS 69 HD1 LYS 69 54.611 -9.831 2.191 162 HE2 LYS 69 HE2 LYS 69 54.084 -11.900 0.800 163 HE3 LYS 69 HE1 LYS 69 55.612 -11.598 -0.023 164 HZ1 LYS 69 HZ1 LYS 69 56.821 -12.055 1.865 165 HZ2 LYS 69 HZ2 LYS 69 55.554 -13.166 2.006 166 HZ3 LYS 69 HZ3 LYS 69 55.533 -11.741 2.915 167 H GLN 70 HN GLN 70 55.295 -7.759 -1.744 168 HA GLN 70 HA GLN 70 57.754 -7.512 -0.327 169 HB2 GLN 70 HB2 GLN 70 56.972 -8.301 -3.103 170 HB3 GLN 70 HB1 GLN 70 58.659 -7.946 -2.762 171 HG2 GLN 70 HG2 GLN 70 57.086 -9.905 -1.126 172 HG3 GLN 70 HG1 GLN 70 57.912 -10.370 -2.613 173 HE21 GLN 70 HE21 GLN 70 58.218 -9.768 0.709 174 HE22 GLN 70 HE22 GLN 70 59.932 -9.958 0.833 175 H ILE 71 HN ILE 71 56.261 -5.731 -2.985 176 HA ILE 71 HA ILE 71 58.412 -3.874 -3.266 177 HB ILE 71 HB ILE 71 55.560 -3.526 -4.191 178 HG12 ILE 71 HG12 ILE 71 57.908 -4.839 -5.579 179 HG13 ILE 71 HG11 ILE 71 56.441 -5.642 -5.027 180 HG21 ILE 71 HG21 ILE 71 57.019 -1.510 -4.188 181 HG22 ILE 71 HG22 ILE 71 56.459 -1.982 -5.792 182 HG23 ILE 71 HG23 ILE 71 58.109 -2.352 -5.290 183 HD11 ILE 71 HD11 ILE 71 55.437 -5.204 -6.944 184 HD12 ILE 71 HD12 ILE 71 56.950 -4.520 -7.539 185 HD13 ILE 71 HD13 ILE 71 55.755 -3.479 -6.765 186 H PHE 72 HN PHE 72 55.477 -4.010 -1.384 187 HA PHE 72 HA PHE 72 55.344 -1.277 -0.671 188 HB2 PHE 72 HB2 PHE 72 53.410 -2.720 -0.416 189 HB3 PHE 72 HB1 PHE 72 54.279 -3.737 0.725 190 HD1 PHE 72 HD2 PHE 72 53.904 -0.037 0.460 191 HD2 PHE 72 HD1 PHE 72 53.283 -3.546 2.786 192 HE1 PHE 72 HE2 PHE 72 53.072 1.346 2.317 193 HE2 PHE 72 HE1 PHE 72 52.449 -2.169 4.647 194 HZ PHE 72 HZ PHE 72 52.343 0.280 4.415 195 H GLU 73 HN GLU 73 56.854 -4.083 0.856 196 HA GLU 73 HA GLU 73 57.766 -2.637 3.143 197 HB2 GLU 73 HB2 GLU 73 59.053 -4.646 3.655 198 HB3 GLU 73 HB1 GLU 73 57.409 -5.071 3.203 199 HG2 GLU 73 HG2 GLU 73 58.108 -5.803 1.048 200 HG3 GLU 73 HG1 GLU 73 59.731 -5.161 1.298 201 H ASP 74 HN ASP 74 59.066 -3.494 0.009 202 HA ASP 74 HA ASP 74 61.721 -2.659 0.550 203 HB2 ASP 74 HB2 ASP 74 60.272 -3.775 -1.673 204 HB3 ASP 74 HB1 ASP 74 61.257 -2.423 -2.224 205 H HIS 75 HN HIS 75 58.907 -1.132 -0.922 206 HA HIS 75 HA HIS 75 60.088 1.244 -1.760 207 HB2 HIS 75 HB2 HIS 75 57.831 0.615 -2.425 208 HB3 HIS 75 HB1 HIS 75 57.279 0.756 -0.759 209 HD1 HIS 75 HD1 HIS 75 57.347 2.634 -3.813 210 HD2 HIS 75 HD2 HIS 75 57.709 3.544 0.229 211 HE1 HIS 75 HE1 HIS 75 56.892 5.115 -3.592 212 H VAL 76 HN VAL 76 58.358 0.582 1.271 213 HA VAL 76 HA VAL 76 58.868 3.050 2.501 214 HB VAL 76 HB VAL 76 58.543 0.359 3.846 215 HG11 VAL 76 HG11 VAL 76 57.512 2.661 5.268 216 HG12 VAL 76 HG12 VAL 76 59.245 2.798 4.970 217 HG13 VAL 76 HG13 VAL 76 58.604 1.391 5.818 218 HG21 VAL 76 HG21 VAL 76 56.686 1.986 2.365 219 HG22 VAL 76 HG22 VAL 76 56.175 1.834 4.046 220 HG23 VAL 76 HG23 VAL 76 56.457 0.389 3.078 221 H PHE 77 HN PHE 77 60.713 0.079 2.309 222 HA PHE 77 HA PHE 77 62.704 0.598 4.187 223 HB2 PHE 77 HB2 PHE 77 62.246 -1.306 2.131 224 HB3 PHE 77 HB1 PHE 77 63.869 -0.667 1.887 225 HD1 PHE 77 HD2 PHE 77 65.258 -0.455 4.164 226 HD2 PHE 77 HD1 PHE 77 62.037 -3.147 3.471 227 HE1 PHE 77 HE2 PHE 77 66.104 -1.921 5.950 228 HE2 PHE 77 HE1 PHE 77 62.877 -4.619 5.256 229 HZ PHE 77 HZ PHE 77 64.914 -4.006 6.498 230 H CYS 78 HN CYS 78 62.269 1.744 0.903 231 HA CYS 78 HA CYS 78 64.819 2.894 0.593 232 HB2 CYS 78 HB2 CYS 78 62.528 2.649 -0.987 233 HB3 CYS 78 HB1 CYS 78 62.743 4.385 -0.786 234 HG CYS 78 HG CYS 78 64.674 2.504 -2.291 235 H HIS 79 HN HIS 79 61.744 4.255 1.688 236 HA HIS 79 HA HIS 79 62.730 6.848 2.215 237 HB2 HIS 79 HB2 HIS 79 60.436 5.297 3.433 238 HB3 HIS 79 HB1 HIS 79 60.780 6.976 3.830 239 HD1 HIS 79 HD1 HIS 79 60.503 8.716 1.784 240 HD2 HIS 79 HD2 HIS 79 59.002 4.891 1.185 241 HE1 HIS 79 HE1 HIS 79 58.922 8.875 -0.186 242 H SER 80 HN SER 80 63.209 3.822 3.709 243 HA SER 80 HA SER 80 63.801 4.785 6.344 244 HB2 SER 80 HB2 SER 80 63.186 2.338 5.371 245 HB3 SER 80 HB1 SER 80 64.940 2.195 5.486 246 HG SER 80 HG SER 80 63.502 1.682 7.411 247 H LEU 81 HN LEU 81 65.499 4.686 3.397 248 HA LEU 81 HA LEU 81 68.127 4.491 4.496 249 HB2 LEU 81 HB2 LEU 81 67.267 5.510 1.797 250 HB3 LEU 81 HB1 LEU 81 68.892 5.028 2.258 251 HG LEU 81 HG LEU 81 66.700 3.048 2.567 252 HD11 LEU 81 HD11 LEU 81 66.804 2.370 0.272 253 HD12 LEU 81 HD12 LEU 81 68.053 3.565 -0.081 254 HD13 LEU 81 HD13 LEU 81 66.414 4.090 0.308 255 HD21 LEU 81 HD21 LEU 81 69.336 2.405 1.390 256 HD22 LEU 81 HD22 LEU 81 68.380 1.530 2.585 257 HD23 LEU 81 HD23 LEU 81 69.328 2.936 3.072 Start of MODEL 5 1 H1 GLN 49 HT1 GLN 49 34.390 -0.545 1.507 2 H2 GLN 49 HT2 GLN 49 34.255 0.740 2.636 3 H3 GLN 49 HT3 GLN 49 34.862 -0.785 3.137 4 HA GLN 49 HA GLN 49 36.136 0.944 1.128 5 HB2 GLN 49 HB2 GLN 49 36.342 0.772 4.108 6 HB3 GLN 49 HB1 GLN 49 37.791 1.129 3.178 7 HG2 GLN 49 HG2 GLN 49 35.268 2.701 2.810 8 HG3 GLN 49 HG1 GLN 49 36.426 3.086 4.083 9 HE21 GLN 49 HE21 GLN 49 35.514 4.382 1.471 10 HE22 GLN 49 HE22 GLN 49 36.995 4.820 0.697 11 H MET 50 HN MET 50 38.429 0.320 0.862 12 HA MET 50 HA MET 50 38.963 -2.500 1.469 13 HB2 MET 50 HB2 MET 50 39.133 -1.211 -1.257 14 HB3 MET 50 HB1 MET 50 39.877 -2.756 -0.866 15 HG2 MET 50 HG2 MET 50 37.899 -3.414 -1.817 16 HG3 MET 50 HG1 MET 50 37.490 -3.420 -0.102 17 HE1 MET 50 HE1 MET 50 34.298 -1.887 -0.176 18 HE2 MET 50 HE2 MET 50 35.363 -3.254 0.155 19 HE3 MET 50 HE3 MET 50 34.546 -3.130 -1.402 20 H GLN 51 HN GLN 51 39.985 -0.094 2.665 21 HA GLN 51 HA GLN 51 42.533 0.580 1.643 22 HB2 GLN 51 HB2 GLN 51 40.911 1.532 3.653 23 HB3 GLN 51 HB1 GLN 51 42.244 0.818 4.549 24 HG2 GLN 51 HG2 GLN 51 42.588 3.196 4.095 25 HG3 GLN 51 HG1 GLN 51 43.832 2.186 3.356 26 HE21 GLN 51 HE21 GLN 51 44.082 4.270 2.147 27 HE22 GLN 51 HE22 GLN 51 43.162 4.454 0.697 28 HA PRO 52 HA PRO 52 44.139 -2.544 5.093 29 HB2 PRO 52 HB2 PRO 52 41.834 -4.413 5.070 30 HB3 PRO 52 HB1 PRO 52 42.829 -3.869 6.424 31 HG2 PRO 52 HG2 PRO 52 40.344 -2.957 6.098 32 HG3 PRO 52 HG1 PRO 52 41.641 -1.895 6.676 33 HD2 PRO 52 HD2 PRO 52 40.404 -2.075 3.959 34 HD3 PRO 52 HD1 PRO 52 40.943 -0.645 4.862 35 H LEU 53 HN LEU 53 42.323 -3.218 2.221 36 HA LEU 53 HA LEU 53 43.554 -5.752 1.674 37 HB2 LEU 53 HB2 LEU 53 41.276 -4.913 0.864 38 HB3 LEU 53 HB1 LEU 53 42.169 -3.992 -0.331 39 HG LEU 53 HG LEU 53 43.205 -6.223 -1.040 40 HD11 LEU 53 HD11 LEU 53 42.750 -7.829 0.492 41 HD12 LEU 53 HD12 LEU 53 41.325 -8.044 -0.525 42 HD13 LEU 53 HD13 LEU 53 41.213 -7.103 0.963 43 HD21 LEU 53 HD21 LEU 53 41.207 -6.803 -2.398 44 HD22 LEU 53 HD22 LEU 53 41.612 -5.087 -2.430 45 HD23 LEU 53 HD23 LEU 53 40.270 -5.658 -1.437 46 H CYS 54 HN CYS 54 44.830 -2.719 1.657 47 HA CYS 54 HA CYS 54 46.966 -3.539 -0.127 48 HB2 CYS 54 HB2 CYS 54 46.916 -1.486 -1.448 49 HB3 CYS 54 HB1 CYS 54 45.396 -2.360 -1.615 50 HG CYS 54 HG CYS 54 44.181 -0.455 -0.644 51 H PHE 55 HN PHE 55 48.499 -1.363 -0.256 52 HA PHE 55 HA PHE 55 48.721 -0.234 2.432 53 HB2 PHE 55 HB2 PHE 55 51.017 -1.623 1.035 54 HB3 PHE 55 HB1 PHE 55 51.089 -0.806 2.593 55 HD1 PHE 55 HD1 PHE 55 49.106 -1.699 4.243 56 HD2 PHE 55 HD2 PHE 55 51.001 -3.903 1.136 57 HE1 PHE 55 HE1 PHE 55 48.506 -3.801 5.374 58 HE2 PHE 55 HE2 PHE 55 50.405 -6.009 2.261 59 HZ PHE 55 HZ PHE 55 49.156 -5.959 4.382 60 H ASN 56 HN ASN 56 48.735 1.884 2.119 61 HA ASN 56 HA ASN 56 49.835 3.006 -0.334 62 HB2 ASN 56 HB2 ASN 56 48.390 4.368 1.950 63 HB3 ASN 56 HB1 ASN 56 48.815 5.108 0.409 64 HD21 ASN 56 HD21 ASN 56 46.467 5.532 0.439 65 HD22 ASN 56 HD22 ASN 56 45.418 4.328 -0.221 66 H CYS 57 HN CYS 57 51.680 4.165 -0.467 67 HA CYS 57 HA CYS 57 53.526 4.051 1.714 68 HB2 CYS 57 HB2 CYS 57 54.317 3.849 -0.588 69 HB3 CYS 57 HB1 CYS 57 53.721 5.464 -0.957 70 HA PRO 58 HA PRO 58 51.982 7.927 3.421 71 HB2 PRO 58 HB2 PRO 58 53.442 7.853 5.696 72 HB3 PRO 58 HB1 PRO 58 51.986 6.877 5.466 73 HG2 PRO 58 HG2 PRO 58 54.860 6.086 5.182 74 HG3 PRO 58 HG1 PRO 58 53.531 5.209 5.964 75 HD2 PRO 58 HD2 PRO 58 54.403 4.620 3.465 76 HD3 PRO 58 HD1 PRO 58 52.711 4.416 3.963 77 H ILE 59 HN ILE 59 55.088 7.140 2.287 78 HA ILE 59 HA ILE 59 56.291 9.653 3.088 79 HB ILE 59 HB ILE 59 57.451 7.615 1.198 80 HG12 ILE 59 HG12 ILE 59 58.730 7.348 3.650 81 HG13 ILE 59 HG11 ILE 59 57.032 7.504 4.085 82 HG21 ILE 59 HG21 ILE 59 58.475 10.022 2.629 83 HG22 ILE 59 HG22 ILE 59 58.742 9.504 0.964 84 HG23 ILE 59 HG23 ILE 59 59.574 8.686 2.287 85 HD11 ILE 59 HD11 ILE 59 57.860 5.594 1.948 86 HD12 ILE 59 HD12 ILE 59 56.444 5.558 2.998 87 HD13 ILE 59 HD13 ILE 59 58.035 5.165 3.649 88 H CYS 60 HN CYS 60 55.522 8.069 -0.056 89 HA CYS 60 HA CYS 60 55.453 10.789 -1.182 90 HB2 CYS 60 HB2 CYS 60 56.181 9.969 -3.290 91 HB3 CYS 60 HB1 CYS 60 57.262 9.307 -2.073 92 H ASP 61 HN ASP 61 53.931 7.596 -1.497 93 HA ASP 61 HA ASP 61 51.345 8.122 -1.282 94 HB2 ASP 61 HB2 ASP 61 50.532 8.583 -3.663 95 HB3 ASP 61 HB1 ASP 61 51.235 9.942 -2.793 96 H LYS 62 HN LYS 62 53.606 6.761 -3.589 97 HA LYS 62 HA LYS 62 52.409 4.860 -4.971 98 HB2 LYS 62 HB2 LYS 62 54.915 5.205 -4.581 99 HB3 LYS 62 HB1 LYS 62 54.750 4.054 -3.261 100 HG2 LYS 62 HG2 LYS 62 55.443 2.728 -5.018 101 HG3 LYS 62 HG1 LYS 62 53.691 2.514 -5.039 102 HD2 LYS 62 HD2 LYS 62 53.570 4.305 -6.776 103 HD3 LYS 62 HD1 LYS 62 55.334 4.305 -6.826 104 HE2 LYS 62 HE2 LYS 62 54.744 1.648 -7.106 105 HE3 LYS 62 HE1 LYS 62 53.414 2.415 -7.971 106 HZ1 LYS 62 HZ1 LYS 62 56.306 2.560 -8.527 107 HZ2 LYS 62 HZ2 LYS 62 55.267 3.774 -9.081 108 HZ3 LYS 62 HZ3 LYS 62 55.038 2.175 -9.579 109 H ILE 63 HN ILE 63 51.074 3.201 -4.722 110 HA ILE 63 HA ILE 63 50.732 2.073 -2.018 111 HB ILE 63 HB ILE 63 48.646 2.139 -4.198 112 HG12 ILE 63 HG12 ILE 63 48.665 3.888 -1.744 113 HG13 ILE 63 HG11 ILE 63 49.404 4.411 -3.254 114 HG21 ILE 63 HG21 ILE 63 48.562 1.416 -1.278 115 HG22 ILE 63 HG22 ILE 63 48.241 0.368 -2.660 116 HG23 ILE 63 HG23 ILE 63 47.123 1.673 -2.264 117 HD11 ILE 63 HD11 ILE 63 46.537 3.989 -2.591 118 HD12 ILE 63 HD12 ILE 63 47.076 3.788 -4.259 119 HD13 ILE 63 HD13 ILE 63 47.319 5.327 -3.433 120 H PHE 64 HN PHE 64 50.082 -0.183 -1.912 121 HA PHE 64 HA PHE 64 50.605 -1.811 -4.268 122 HB2 PHE 64 HB2 PHE 64 52.122 -2.234 -1.685 123 HB3 PHE 64 HB1 PHE 64 52.240 -3.221 -3.137 124 HD1 PHE 64 HD1 PHE 64 52.875 0.172 -1.798 125 HD2 PHE 64 HD2 PHE 64 53.741 -2.675 -4.840 126 HE1 PHE 64 HE1 PHE 64 54.704 1.603 -2.611 127 HE2 PHE 64 HE2 PHE 64 55.571 -1.249 -5.659 128 HZ PHE 64 HZ PHE 64 56.055 0.891 -4.542 129 HA PRO 65 HA PRO 65 47.142 -4.108 -2.744 130 HB2 PRO 65 HB2 PRO 65 48.100 -6.642 -3.511 131 HB3 PRO 65 HB1 PRO 65 47.064 -5.577 -4.462 132 HG2 PRO 65 HG2 PRO 65 49.999 -5.997 -4.616 133 HG3 PRO 65 HG1 PRO 65 48.848 -5.598 -5.903 134 HD2 PRO 65 HD2 PRO 65 50.541 -3.767 -4.897 135 HD3 PRO 65 HD1 PRO 65 48.899 -3.336 -5.418 136 H ALA 66 HN ALA 66 46.589 -5.635 -1.112 137 HA ALA 66 HA ALA 66 48.227 -5.578 1.149 138 HB1 ALA 66 HB1 ALA 66 46.591 -7.580 1.795 139 HB2 ALA 66 HB2 ALA 66 45.712 -6.948 0.402 140 HB3 ALA 66 HB3 ALA 66 46.071 -5.895 1.771 141 H THR 67 HN THR 67 47.969 -7.935 -1.424 142 HA THR 67 HA THR 67 49.450 -9.968 -0.041 143 HB THR 67 HB THR 67 49.585 -10.771 -2.598 144 HG1 THR 67 HG1 THR 67 47.677 -10.050 -3.645 145 HG21 THR 67 HG21 THR 67 46.855 -10.973 -1.500 146 HG22 THR 67 HG22 THR 67 48.167 -11.604 -0.504 147 HG23 THR 67 HG23 THR 67 47.924 -12.222 -2.138 148 H GLU 68 HN GLU 68 50.283 -7.122 -1.678 149 HA GLU 68 HA GLU 68 52.927 -8.120 -2.389 150 HB2 GLU 68 HB2 GLU 68 51.284 -5.782 -3.206 151 HB3 GLU 68 HB1 GLU 68 53.032 -5.596 -3.239 152 HG2 GLU 68 HG2 GLU 68 53.031 -7.781 -4.589 153 HG3 GLU 68 HG1 GLU 68 51.312 -7.464 -4.820 154 H LYS 69 HN LYS 69 52.246 -7.849 0.374 155 HA LYS 69 HA LYS 69 53.099 -5.486 1.571 156 HB2 LYS 69 HB2 LYS 69 53.428 -6.777 3.586 157 HB3 LYS 69 HB1 LYS 69 51.989 -7.359 2.761 158 HG2 LYS 69 HG2 LYS 69 52.813 -9.407 2.885 159 HG3 LYS 69 HG1 LYS 69 54.097 -8.915 1.780 160 HD2 LYS 69 HD2 LYS 69 54.935 -7.927 4.219 161 HD3 LYS 69 HD1 LYS 69 54.201 -9.476 4.636 162 HE2 LYS 69 HE2 LYS 69 56.174 -9.202 2.388 163 HE3 LYS 69 HE1 LYS 69 56.690 -9.464 4.053 164 HZ1 LYS 69 HZ1 LYS 69 54.896 -11.392 3.820 165 HZ2 LYS 69 HZ2 LYS 69 56.525 -11.607 3.418 166 HZ3 LYS 69 HZ3 LYS 69 55.389 -11.295 2.203 167 H GLN 70 HN GLN 70 54.913 -8.016 0.051 168 HA GLN 70 HA GLN 70 57.426 -7.534 1.238 169 HB2 GLN 70 HB2 GLN 70 56.364 -9.210 -0.808 170 HB3 GLN 70 HB1 GLN 70 57.785 -8.399 -1.452 171 HG2 GLN 70 HG2 GLN 70 57.680 -10.005 1.092 172 HG3 GLN 70 HG1 GLN 70 58.337 -10.552 -0.450 173 HE21 GLN 70 HE21 GLN 70 59.776 -8.463 -1.316 174 HE22 GLN 70 HE22 GLN 70 61.060 -8.101 -0.218 175 H ILE 71 HN ILE 71 56.190 -6.536 -1.938 176 HA ILE 71 HA ILE 71 58.329 -4.832 -2.572 177 HB ILE 71 HB ILE 71 55.480 -4.555 -3.534 178 HG12 ILE 71 HG12 ILE 71 56.825 -5.867 -5.517 179 HG13 ILE 71 HG11 ILE 71 57.560 -6.570 -4.079 180 HG21 ILE 71 HG21 ILE 71 57.737 -3.957 -5.317 181 HG22 ILE 71 HG22 ILE 71 57.544 -2.856 -3.953 182 HG23 ILE 71 HG23 ILE 71 56.213 -3.101 -5.084 183 HD11 ILE 71 HD11 ILE 71 55.338 -7.516 -5.233 184 HD12 ILE 71 HD12 ILE 71 54.624 -6.400 -4.070 185 HD13 ILE 71 HD13 ILE 71 55.693 -7.686 -3.514 186 H PHE 72 HN PHE 72 55.382 -4.315 -0.750 187 HA PHE 72 HA PHE 72 55.446 -1.496 -0.689 188 HB2 PHE 72 HB2 PHE 72 53.432 -2.696 -0.071 189 HB3 PHE 72 HB1 PHE 72 54.267 -3.481 1.265 190 HD1 PHE 72 HD2 PHE 72 53.641 -0.011 0.030 191 HD2 PHE 72 HD1 PHE 72 53.837 -2.660 3.355 192 HE1 PHE 72 HE2 PHE 72 52.963 1.821 1.525 193 HE2 PHE 72 HE1 PHE 72 53.158 -0.833 4.856 194 HZ PHE 72 HZ PHE 72 52.720 1.412 3.942 195 H GLU 73 HN GLU 73 56.957 -3.963 1.306 196 HA GLU 73 HA GLU 73 57.941 -2.140 3.273 197 HB2 GLU 73 HB2 GLU 73 58.592 -5.006 2.595 198 HB3 GLU 73 HB1 GLU 73 59.436 -4.127 3.864 199 HG2 GLU 73 HG2 GLU 73 56.467 -4.607 3.763 200 HG3 GLU 73 HG1 GLU 73 57.620 -5.529 4.727 201 H ASP 74 HN ASP 74 59.100 -3.489 0.268 202 HA ASP 74 HA ASP 74 61.790 -2.643 0.556 203 HB2 ASP 74 HB2 ASP 74 60.111 -3.701 -1.663 204 HB3 ASP 74 HB1 ASP 74 61.594 -2.853 -2.095 205 H HIS 75 HN HIS 75 58.977 -1.321 -1.126 206 HA HIS 75 HA HIS 75 60.169 0.914 -2.271 207 HB2 HIS 75 HB2 HIS 75 57.907 0.238 -2.854 208 HB3 HIS 75 HB1 HIS 75 57.355 0.582 -1.217 209 HD1 HIS 75 HD1 HIS 75 57.563 2.100 -4.493 210 HD2 HIS 75 HD2 HIS 75 57.679 3.450 -0.560 211 HE1 HIS 75 HE1 HIS 75 57.065 4.581 -4.571 212 H VAL 76 HN VAL 76 58.437 0.690 0.819 213 HA VAL 76 HA VAL 76 58.981 3.297 1.705 214 HB VAL 76 HB VAL 76 58.613 0.816 3.399 215 HG11 VAL 76 HG11 VAL 76 57.618 3.345 4.446 216 HG12 VAL 76 HG12 VAL 76 59.365 3.343 4.205 217 HG13 VAL 76 HG13 VAL 76 58.613 2.112 5.220 218 HG21 VAL 76 HG21 VAL 76 56.827 1.562 1.614 219 HG22 VAL 76 HG22 VAL 76 56.416 2.748 2.852 220 HG23 VAL 76 HG23 VAL 76 56.341 1.025 3.221 221 H PHE 77 HN PHE 77 60.790 0.309 1.853 222 HA PHE 77 HA PHE 77 62.785 1.017 3.672 223 HB2 PHE 77 HB2 PHE 77 62.330 -1.087 1.773 224 HB3 PHE 77 HB1 PHE 77 63.994 -0.534 1.624 225 HD1 PHE 77 HD1 PHE 77 61.549 -1.350 4.327 226 HD2 PHE 77 HD2 PHE 77 65.556 -1.592 2.915 227 HE1 PHE 77 HE1 PHE 77 62.163 -2.671 6.310 228 HE2 PHE 77 HE2 PHE 77 66.178 -2.915 4.895 229 HZ PHE 77 HZ PHE 77 64.480 -3.457 6.595 230 H CYS 78 HN CYS 78 62.344 1.793 0.284 231 HA CYS 78 HA CYS 78 64.928 2.842 -0.151 232 HB2 CYS 78 HB2 CYS 78 62.453 2.657 -1.630 233 HB3 CYS 78 HB1 CYS 78 63.160 4.259 -1.820 234 HG CYS 78 HG CYS 78 64.444 1.618 -2.798 235 H HIS 79 HN HIS 79 61.871 4.338 0.782 236 HA HIS 79 HA HIS 79 62.881 6.970 0.995 237 HB2 HIS 79 HB2 HIS 79 60.568 5.605 2.384 238 HB3 HIS 79 HB1 HIS 79 60.921 7.321 2.547 239 HD1 HIS 79 HD1 HIS 79 60.728 8.739 0.235 240 HD2 HIS 79 HD2 HIS 79 59.091 4.923 0.243 241 HE1 HIS 79 HE1 HIS 79 59.152 8.640 -1.742 242 H SER 80 HN SER 80 63.320 4.135 2.834 243 HA SER 80 HA SER 80 63.912 5.394 5.344 244 HB2 SER 80 HB2 SER 80 63.169 2.933 4.855 245 HB3 SER 80 HB1 SER 80 64.894 2.659 4.614 246 HG SER 80 HG SER 80 63.841 3.900 6.931 247 H LEU 81 HN LEU 81 65.611 4.970 2.435 248 HA LEU 81 HA LEU 81 68.236 4.855 3.562 249 HB2 LEU 81 HB2 LEU 81 67.394 5.569 0.761 250 HB3 LEU 81 HB1 LEU 81 69.014 5.127 1.279 251 HG LEU 81 HG LEU 81 66.801 3.217 1.801 252 HD11 LEU 81 HD11 LEU 81 68.175 3.390 -0.878 253 HD12 LEU 81 HD12 LEU 81 66.553 4.012 -0.569 254 HD13 LEU 81 HD13 LEU 81 66.885 2.289 -0.395 255 HD21 LEU 81 HD21 LEU 81 68.753 2.373 2.640 256 HD22 LEU 81 HD22 LEU 81 69.751 3.158 1.414 257 HD23 LEU 81 HD23 LEU 81 68.819 1.718 1.003 Start of MODEL 6 1 H1 GLN 49 HT1 GLN 49 33.916 1.009 2.950 2 H2 GLN 49 HT2 GLN 49 33.296 1.557 4.454 3 H3 GLN 49 HT3 GLN 49 34.664 0.523 4.414 4 HA GLN 49 HA GLN 49 34.584 3.211 3.234 5 HB2 GLN 49 HB2 GLN 49 35.109 2.226 5.987 6 HB3 GLN 49 HB1 GLN 49 36.188 3.469 5.367 7 HG2 GLN 49 HG2 GLN 49 34.376 4.980 5.034 8 HG3 GLN 49 HG1 GLN 49 33.192 3.722 5.386 9 HE21 GLN 49 HE21 GLN 49 34.798 6.321 6.624 10 HE22 GLN 49 HE22 GLN 49 34.602 6.000 8.310 11 H MET 50 HN MET 50 36.946 1.274 5.014 12 HA MET 50 HA MET 50 38.740 1.464 2.686 13 HB2 MET 50 HB2 MET 50 39.211 1.665 5.623 14 HB3 MET 50 HB1 MET 50 40.478 0.953 4.634 15 HG2 MET 50 HG2 MET 50 40.553 2.969 3.266 16 HG3 MET 50 HG1 MET 50 39.269 3.682 4.239 17 HE1 MET 50 HE1 MET 50 40.507 5.661 4.444 18 HE2 MET 50 HE2 MET 50 41.836 5.973 5.561 19 HE3 MET 50 HE3 MET 50 40.228 5.602 6.184 20 H GLN 51 HN GLN 51 40.149 -0.327 2.260 21 HA GLN 51 HA GLN 51 39.296 -2.874 3.445 22 HB2 GLN 51 HB2 GLN 51 38.697 -2.035 0.828 23 HB3 GLN 51 HB1 GLN 51 39.987 -3.217 0.665 24 HG2 GLN 51 HG2 GLN 51 38.234 -4.352 2.492 25 HG3 GLN 51 HG1 GLN 51 37.195 -3.601 1.282 26 HE21 GLN 51 HE21 GLN 51 40.243 -5.426 1.330 27 HE22 GLN 51 HE22 GLN 51 39.809 -6.512 0.058 28 HA PRO 52 HA PRO 52 43.713 -3.371 3.683 29 HB2 PRO 52 HB2 PRO 52 43.796 -5.812 4.774 30 HB3 PRO 52 HB1 PRO 52 43.201 -4.418 5.685 31 HG2 PRO 52 HG2 PRO 52 41.661 -6.577 4.302 32 HG3 PRO 52 HG1 PRO 52 41.365 -5.826 5.879 33 HD2 PRO 52 HD2 PRO 52 40.042 -5.149 3.558 34 HD3 PRO 52 HD1 PRO 52 40.224 -4.074 4.958 35 H LEU 53 HN LEU 53 42.990 -3.602 1.093 36 HA LEU 53 HA LEU 53 44.110 -6.180 0.235 37 HB2 LEU 53 HB2 LEU 53 41.682 -5.347 -0.416 38 HB3 LEU 53 HB1 LEU 53 42.568 -4.456 -1.641 39 HG LEU 53 HG LEU 53 43.630 -6.916 -1.994 40 HD11 LEU 53 HD11 LEU 53 40.743 -7.493 -1.413 41 HD12 LEU 53 HD12 LEU 53 42.010 -7.745 -0.213 42 HD13 LEU 53 HD13 LEU 53 42.051 -8.629 -1.739 43 HD21 LEU 53 HD21 LEU 53 41.174 -5.672 -3.201 44 HD22 LEU 53 HD22 LEU 53 41.895 -7.156 -3.825 45 HD23 LEU 53 HD23 LEU 53 42.826 -5.657 -3.819 46 H CYS 54 HN CYS 54 45.542 -3.704 0.999 47 HA CYS 54 HA CYS 54 47.530 -3.711 -0.954 48 HB2 CYS 54 HB2 CYS 54 47.172 -1.320 -1.799 49 HB3 CYS 54 HB1 CYS 54 46.141 -2.573 -2.483 50 HG CYS 54 HG CYS 54 44.277 -1.134 -1.837 51 H PHE 55 HN PHE 55 48.874 -1.499 -0.745 52 HA PHE 55 HA PHE 55 48.797 -0.516 2.000 53 HB2 PHE 55 HB2 PHE 55 51.374 -1.572 0.841 54 HB3 PHE 55 HB1 PHE 55 51.052 -1.081 2.501 55 HD1 PHE 55 HD2 PHE 55 49.033 -2.450 3.613 56 HD2 PHE 55 HD1 PHE 55 51.497 -3.816 0.423 57 HE1 PHE 55 HE2 PHE 55 48.491 -4.778 4.195 58 HE2 PHE 55 HE1 PHE 55 50.958 -6.146 1.000 59 HZ PHE 55 HZ PHE 55 49.454 -6.630 2.889 60 H ASN 56 HN ASN 56 48.770 1.614 1.803 61 HA ASN 56 HA ASN 56 49.975 2.898 -0.510 62 HB2 ASN 56 HB2 ASN 56 48.453 4.161 1.778 63 HB3 ASN 56 HB1 ASN 56 48.839 4.906 0.229 64 HD21 ASN 56 HD21 ASN 56 46.803 5.269 -0.474 65 HD22 ASN 56 HD22 ASN 56 45.663 4.020 -0.824 66 H CYS 57 HN CYS 57 51.798 4.098 -0.495 67 HA CYS 57 HA CYS 57 53.542 3.901 1.761 68 HB2 CYS 57 HB2 CYS 57 54.428 3.839 -0.521 69 HB3 CYS 57 HB1 CYS 57 53.841 5.475 -0.807 70 HA PRO 58 HA PRO 58 51.848 7.655 3.591 71 HB2 PRO 58 HB2 PRO 58 53.200 7.485 5.927 72 HB3 PRO 58 HB1 PRO 58 51.775 6.498 5.579 73 HG2 PRO 58 HG2 PRO 58 54.673 5.769 5.396 74 HG3 PRO 58 HG1 PRO 58 53.323 4.830 6.062 75 HD2 PRO 58 HD2 PRO 58 54.332 4.395 3.581 76 HD3 PRO 58 HD1 PRO 58 52.624 4.127 3.984 77 H ILE 59 HN ILE 59 55.021 6.968 2.579 78 HA ILE 59 HA ILE 59 56.142 9.456 3.557 79 HB ILE 59 HB ILE 59 57.415 7.510 1.640 80 HG12 ILE 59 HG12 ILE 59 58.588 7.206 4.154 81 HG13 ILE 59 HG11 ILE 59 56.860 7.278 4.487 82 HG21 ILE 59 HG21 ILE 59 58.672 9.441 1.525 83 HG22 ILE 59 HG22 ILE 59 59.482 8.567 2.824 84 HG23 ILE 59 HG23 ILE 59 58.359 9.871 3.207 85 HD11 ILE 59 HD11 ILE 59 57.851 4.992 4.108 86 HD12 ILE 59 HD12 ILE 59 58.027 5.451 2.416 87 HD13 ILE 59 HD13 ILE 59 56.425 5.395 3.151 88 H CYS 60 HN CYS 60 55.544 8.018 0.309 89 HA CYS 60 HA CYS 60 55.496 10.786 -0.693 90 HB2 CYS 60 HB2 CYS 60 56.300 10.058 -2.812 91 HB3 CYS 60 HB1 CYS 60 57.349 9.367 -1.582 92 H ASP 61 HN ASP 61 54.009 7.602 -1.219 93 HA ASP 61 HA ASP 61 51.416 8.088 -1.070 94 HB2 ASP 61 HB2 ASP 61 50.668 8.692 -3.434 95 HB3 ASP 61 HB1 ASP 61 51.345 9.999 -2.472 96 H LYS 62 HN LYS 62 53.767 6.891 -3.376 97 HA LYS 62 HA LYS 62 52.644 5.072 -4.916 98 HB2 LYS 62 HB2 LYS 62 55.181 5.245 -3.587 99 HB3 LYS 62 HB1 LYS 62 54.689 3.560 -3.693 100 HG2 LYS 62 HG2 LYS 62 54.317 5.095 -6.161 101 HG3 LYS 62 HG1 LYS 62 55.994 4.922 -5.639 102 HD2 LYS 62 HD2 LYS 62 55.405 2.425 -5.346 103 HD3 LYS 62 HD1 LYS 62 54.012 2.793 -6.364 104 HE2 LYS 62 HE2 LYS 62 55.801 1.975 -7.749 105 HE3 LYS 62 HE1 LYS 62 55.556 3.690 -8.078 106 HZ1 LYS 62 HZ1 LYS 62 57.922 2.986 -7.856 107 HZ2 LYS 62 HZ2 LYS 62 57.629 2.667 -6.221 108 HZ3 LYS 62 HZ3 LYS 62 57.467 4.242 -6.816 109 H ILE 63 HN ILE 63 51.291 3.424 -4.824 110 HA ILE 63 HA ILE 63 50.926 2.029 -2.251 111 HB ILE 63 HB ILE 63 48.785 2.448 -4.337 112 HG12 ILE 63 HG12 ILE 63 47.941 3.934 -2.259 113 HG13 ILE 63 HG11 ILE 63 49.680 4.141 -2.068 114 HG21 ILE 63 HG21 ILE 63 47.300 1.811 -2.416 115 HG22 ILE 63 HG22 ILE 63 48.758 1.363 -1.531 116 HG23 ILE 63 HG23 ILE 63 48.338 0.519 -3.021 117 HD11 ILE 63 HD11 ILE 63 47.965 4.898 -4.408 118 HD12 ILE 63 HD12 ILE 63 49.725 4.822 -4.502 119 HD13 ILE 63 HD13 ILE 63 48.949 5.942 -3.382 120 H PHE 64 HN PHE 64 50.161 -0.204 -2.427 121 HA PHE 64 HA PHE 64 50.538 -1.522 -4.990 122 HB2 PHE 64 HB2 PHE 64 52.066 -2.718 -2.725 123 HB3 PHE 64 HB1 PHE 64 52.371 -2.812 -4.456 124 HD1 PHE 64 HD2 PHE 64 52.476 -0.447 -1.591 125 HD2 PHE 64 HD1 PHE 64 54.018 -1.497 -5.416 126 HE1 PHE 64 HE2 PHE 64 54.190 1.304 -1.376 127 HE2 PHE 64 HE1 PHE 64 55.736 0.252 -5.207 128 HZ PHE 64 HZ PHE 64 55.822 1.654 -3.184 129 HA PRO 65 HA PRO 65 47.375 -4.216 -3.537 130 HB2 PRO 65 HB2 PRO 65 48.198 -6.654 -4.483 131 HB3 PRO 65 HB1 PRO 65 47.443 -5.412 -5.485 132 HG2 PRO 65 HG2 PRO 65 50.338 -6.084 -5.160 133 HG3 PRO 65 HG1 PRO 65 49.440 -5.680 -6.635 134 HD2 PRO 65 HD2 PRO 65 51.008 -3.884 -5.387 135 HD3 PRO 65 HD1 PRO 65 49.504 -3.408 -6.204 136 H ALA 66 HN ALA 66 46.869 -5.839 -1.998 137 HA ALA 66 HA ALA 66 48.505 -5.927 0.252 138 HB1 ALA 66 HB1 ALA 66 46.233 -6.317 0.619 139 HB2 ALA 66 HB2 ALA 66 46.988 -7.882 0.919 140 HB3 ALA 66 HB3 ALA 66 46.157 -7.582 -0.608 141 H THR 67 HN THR 67 48.452 -7.973 -2.558 142 HA THR 67 HA THR 67 49.952 -10.110 -1.359 143 HB THR 67 HB THR 67 50.256 -10.526 -4.014 144 HG1 THR 67 HG1 THR 67 47.743 -9.252 -3.857 145 HG21 THR 67 HG21 THR 67 47.667 -11.083 -2.591 146 HG22 THR 67 HG22 THR 67 49.138 -12.039 -2.405 147 HG23 THR 67 HG23 THR 67 48.339 -11.948 -3.974 148 H GLU 68 HN GLU 68 50.709 -7.057 -2.658 149 HA GLU 68 HA GLU 68 53.446 -7.832 -3.292 150 HB2 GLU 68 HB2 GLU 68 51.745 -5.457 -3.903 151 HB3 GLU 68 HB1 GLU 68 53.492 -5.258 -3.885 152 HG2 GLU 68 HG2 GLU 68 53.704 -7.042 -5.551 153 HG3 GLU 68 HG1 GLU 68 51.949 -7.206 -5.583 154 H LYS 69 HN LYS 69 52.541 -7.872 -0.553 155 HA LYS 69 HA LYS 69 53.229 -5.617 0.926 156 HB2 LYS 69 HB2 LYS 69 53.728 -7.294 2.773 157 HB3 LYS 69 HB1 LYS 69 52.120 -7.363 2.067 158 HG2 LYS 69 HG2 LYS 69 52.429 -9.426 1.246 159 HG3 LYS 69 HG1 LYS 69 54.101 -9.106 0.785 160 HD2 LYS 69 HD2 LYS 69 54.831 -9.417 3.068 161 HD3 LYS 69 HD1 LYS 69 53.162 -9.599 3.610 162 HE2 LYS 69 HE2 LYS 69 52.922 -11.663 2.477 163 HE3 LYS 69 HE1 LYS 69 54.416 -11.422 1.574 164 HZ1 LYS 69 HZ1 LYS 69 55.670 -11.664 3.600 165 HZ2 LYS 69 HZ2 LYS 69 54.667 -13.011 3.401 166 HZ3 LYS 69 HZ3 LYS 69 54.253 -11.806 4.514 167 H GLN 70 HN GLN 70 55.235 -7.941 -0.682 168 HA GLN 70 HA GLN 70 57.632 -7.471 0.752 169 HB2 GLN 70 HB2 GLN 70 56.802 -8.973 -1.579 170 HB3 GLN 70 HB1 GLN 70 58.351 -8.190 -1.857 171 HG2 GLN 70 HG2 GLN 70 57.895 -9.723 0.661 172 HG3 GLN 70 HG1 GLN 70 58.254 -10.576 -0.839 173 HE21 GLN 70 HE21 GLN 70 59.549 -9.075 1.837 174 HE22 GLN 70 HE22 GLN 70 61.179 -8.907 1.290 175 H ILE 71 HN ILE 71 56.265 -6.071 -2.186 176 HA ILE 71 HA ILE 71 58.493 -4.365 -2.706 177 HB ILE 71 HB ILE 71 55.666 -4.022 -3.707 178 HG12 ILE 71 HG12 ILE 71 57.935 -5.598 -4.947 179 HG13 ILE 71 HG11 ILE 71 56.532 -6.304 -4.151 180 HG21 ILE 71 HG21 ILE 71 56.594 -2.140 -4.503 181 HG22 ILE 71 HG22 ILE 71 57.332 -3.211 -5.694 182 HG23 ILE 71 HG23 ILE 71 58.239 -2.727 -4.260 183 HD11 ILE 71 HD11 ILE 71 56.229 -4.454 -6.483 184 HD12 ILE 71 HD12 ILE 71 55.089 -5.642 -5.851 185 HD13 ILE 71 HD13 ILE 71 56.539 -6.177 -6.699 186 H PHE 72 HN PHE 72 55.533 -4.084 -0.871 187 HA PHE 72 HA PHE 72 55.552 -1.266 -0.572 188 HB2 PHE 72 HB2 PHE 72 53.528 -2.560 -0.169 189 HB3 PHE 72 HB1 PHE 72 54.310 -3.417 1.156 190 HD1 PHE 72 HD1 PHE 72 53.620 0.099 0.105 191 HD2 PHE 72 HD2 PHE 72 53.810 -2.726 3.281 192 HE1 PHE 72 HE1 PHE 72 52.825 1.819 1.676 193 HE2 PHE 72 HE2 PHE 72 53.014 -1.013 4.857 194 HZ PHE 72 HZ PHE 72 52.520 1.263 4.055 195 H GLU 73 HN GLU 73 56.966 -3.913 1.263 196 HA GLU 73 HA GLU 73 57.870 -2.263 3.418 197 HB2 GLU 73 HB2 GLU 73 58.594 -5.069 2.562 198 HB3 GLU 73 HB1 GLU 73 59.251 -4.294 3.998 199 HG2 GLU 73 HG2 GLU 73 56.332 -4.822 3.479 200 HG3 GLU 73 HG1 GLU 73 57.384 -5.789 4.512 201 H ASP 74 HN ASP 74 59.205 -3.497 0.421 202 HA ASP 74 HA ASP 74 61.866 -2.649 0.916 203 HB2 ASP 74 HB2 ASP 74 61.323 -4.404 -0.731 204 HB3 ASP 74 HB1 ASP 74 60.497 -3.206 -1.722 205 H HIS 75 HN HIS 75 59.145 -1.282 -0.869 206 HA HIS 75 HA HIS 75 60.382 0.976 -1.907 207 HB2 HIS 75 HB2 HIS 75 58.138 0.320 -2.584 208 HB3 HIS 75 HB1 HIS 75 57.530 0.641 -0.961 209 HD1 HIS 75 HD1 HIS 75 57.866 2.213 -4.203 210 HD2 HIS 75 HD2 HIS 75 57.849 3.491 -0.244 211 HE1 HIS 75 HE1 HIS 75 57.403 4.702 -4.254 212 H VAL 76 HN VAL 76 58.542 0.681 1.115 213 HA VAL 76 HA VAL 76 59.039 3.259 2.091 214 HB VAL 76 HB VAL 76 58.671 0.723 3.701 215 HG11 VAL 76 HG11 VAL 76 58.744 1.962 5.546 216 HG12 VAL 76 HG12 VAL 76 57.589 3.117 4.881 217 HG13 VAL 76 HG13 VAL 76 59.313 3.307 4.558 218 HG21 VAL 76 HG21 VAL 76 56.404 0.907 3.476 219 HG22 VAL 76 HG22 VAL 76 56.911 1.527 1.905 220 HG23 VAL 76 HG23 VAL 76 56.460 2.646 3.190 221 H PHE 77 HN PHE 77 60.889 0.294 2.209 222 HA PHE 77 HA PHE 77 62.835 0.985 4.088 223 HB2 PHE 77 HB2 PHE 77 62.409 -1.243 2.719 224 HB3 PHE 77 HB1 PHE 77 63.624 -0.555 1.648 225 HD1 PHE 77 HD1 PHE 77 65.768 0.366 2.929 226 HD2 PHE 77 HD2 PHE 77 63.124 -2.630 4.394 227 HE1 PHE 77 HE1 PHE 77 67.545 -0.475 4.408 228 HE2 PHE 77 HE2 PHE 77 64.896 -3.476 5.876 229 HZ PHE 77 HZ PHE 77 67.110 -2.397 5.885 230 H CYS 78 HN CYS 78 62.470 1.811 0.702 231 HA CYS 78 HA CYS 78 65.033 2.921 0.339 232 HB2 CYS 78 HB2 CYS 78 62.440 3.594 -1.066 233 HB3 CYS 78 HB1 CYS 78 64.038 4.091 -1.611 234 HG CYS 78 HG CYS 78 62.973 1.803 -2.727 235 H HIS 79 HN HIS 79 61.941 4.364 1.253 236 HA HIS 79 HA HIS 79 62.919 7.001 1.547 237 HB2 HIS 79 HB2 HIS 79 60.592 5.572 2.850 238 HB3 HIS 79 HB1 HIS 79 60.928 7.284 3.084 239 HD1 HIS 79 HD1 HIS 79 60.756 8.792 0.834 240 HD2 HIS 79 HD2 HIS 79 59.182 4.954 0.645 241 HE1 HIS 79 HE1 HIS 79 59.228 8.751 -1.184 242 H SER 80 HN SER 80 63.352 4.128 3.323 243 HA SER 80 HA SER 80 63.887 5.328 5.873 244 HB2 SER 80 HB2 SER 80 63.536 2.701 4.872 245 HB3 SER 80 HB1 SER 80 65.129 2.759 5.626 246 HG SER 80 HG SER 80 64.234 3.140 7.534 247 H LEU 81 HN LEU 81 65.643 4.994 2.986 248 HA LEU 81 HA LEU 81 68.249 4.879 4.156 249 HB2 LEU 81 HB2 LEU 81 67.447 5.654 1.359 250 HB3 LEU 81 HB1 LEU 81 69.063 5.220 1.895 251 HG LEU 81 HG LEU 81 66.867 3.269 2.330 252 HD11 LEU 81 HD11 LEU 81 68.283 3.518 -0.320 253 HD12 LEU 81 HD12 LEU 81 66.655 4.130 -0.026 254 HD13 LEU 81 HD13 LEU 81 66.986 2.404 0.115 255 HD21 LEU 81 HD21 LEU 81 69.529 2.534 1.272 256 HD22 LEU 81 HD22 LEU 81 68.547 1.764 2.519 257 HD23 LEU 81 HD23 LEU 81 69.482 3.210 2.901 Start of MODEL 7 1 H1 GLN 49 HT1 GLN 49 35.179 2.132 5.456 2 H2 GLN 49 HT2 GLN 49 33.519 1.714 5.315 3 H3 GLN 49 HT3 GLN 49 34.594 1.420 4.009 4 HA GLN 49 HA GLN 49 34.384 0.056 6.590 5 HB2 GLN 49 HB2 GLN 49 34.441 -0.799 3.689 6 HB3 GLN 49 HB1 GLN 49 34.379 -1.911 5.050 7 HG2 GLN 49 HG2 GLN 49 32.208 -1.351 5.583 8 HG3 GLN 49 HG1 GLN 49 32.304 0.213 4.775 9 HE21 GLN 49 HE21 GLN 49 32.516 -3.252 4.044 10 HE22 GLN 49 HE22 GLN 49 31.650 -3.165 2.552 11 H MET 50 HN MET 50 36.051 -1.386 7.190 12 HA MET 50 HA MET 50 38.697 -0.453 6.435 13 HB2 MET 50 HB2 MET 50 37.591 -2.146 8.639 14 HB3 MET 50 HB1 MET 50 39.302 -2.259 8.251 15 HG2 MET 50 HG2 MET 50 38.337 0.482 8.514 16 HG3 MET 50 HG1 MET 50 38.172 -0.478 9.983 17 HE1 MET 50 HE1 MET 50 41.891 1.442 8.361 18 HE2 MET 50 HE2 MET 50 40.284 2.105 8.653 19 HE3 MET 50 HE3 MET 50 40.547 0.994 7.310 20 H GLN 51 HN GLN 51 39.134 -1.271 4.422 21 HA GLN 51 HA GLN 51 39.524 -4.176 4.303 22 HB2 GLN 51 HB2 GLN 51 37.883 -2.491 2.480 23 HB3 GLN 51 HB1 GLN 51 38.855 -3.761 1.750 24 HG2 GLN 51 HG2 GLN 51 37.662 -5.072 3.830 25 HG3 GLN 51 HG1 GLN 51 36.409 -3.938 3.328 26 HE21 GLN 51 HE21 GLN 51 36.734 -3.792 0.657 27 HE22 GLN 51 HE22 GLN 51 36.456 -5.331 -0.075 28 HA PRO 52 HA PRO 52 43.379 -2.014 3.035 29 HB2 PRO 52 HB2 PRO 52 45.048 -3.920 4.011 30 HB3 PRO 52 HB1 PRO 52 44.376 -2.627 5.013 31 HG2 PRO 52 HG2 PRO 52 43.477 -5.470 4.731 32 HG3 PRO 52 HG1 PRO 52 43.642 -4.489 6.200 33 HD2 PRO 52 HD2 PRO 52 41.254 -4.917 4.999 34 HD3 PRO 52 HD1 PRO 52 41.633 -3.410 5.857 35 H LEU 53 HN LEU 53 42.418 -2.654 0.887 36 HA LEU 53 HA LEU 53 43.294 -5.198 -0.190 37 HB2 LEU 53 HB2 LEU 53 41.097 -4.061 -0.745 38 HB3 LEU 53 HB1 LEU 53 42.027 -2.914 -1.689 39 HG LEU 53 HG LEU 53 42.842 -4.765 -3.109 40 HD11 LEU 53 HD11 LEU 53 41.058 -6.400 -1.324 41 HD12 LEU 53 HD12 LEU 53 42.771 -6.634 -1.666 42 HD13 LEU 53 HD13 LEU 53 41.573 -6.939 -2.923 43 HD21 LEU 53 HD21 LEU 53 40.407 -5.383 -3.938 44 HD22 LEU 53 HD22 LEU 53 41.081 -3.767 -4.156 45 HD23 LEU 53 HD23 LEU 53 39.965 -4.086 -2.828 46 H CYS 54 HN CYS 54 44.967 -2.529 0.489 47 HA CYS 54 HA CYS 54 47.067 -3.124 -1.316 48 HB2 CYS 54 HB2 CYS 54 47.109 -1.052 -2.603 49 HB3 CYS 54 HB1 CYS 54 45.598 -1.911 -2.884 50 HG CYS 54 HG CYS 54 45.523 0.391 -0.833 51 H PHE 55 HN PHE 55 48.590 -0.931 -1.298 52 HA PHE 55 HA PHE 55 48.604 0.254 1.353 53 HB2 PHE 55 HB2 PHE 55 50.611 -1.750 0.400 54 HB3 PHE 55 HB1 PHE 55 51.150 -0.429 1.430 55 HD1 PHE 55 HD2 PHE 55 49.226 -0.060 3.429 56 HD2 PHE 55 HD1 PHE 55 50.375 -3.704 1.556 57 HE1 PHE 55 HE2 PHE 55 48.488 -1.309 5.415 58 HE2 PHE 55 HE1 PHE 55 49.640 -4.961 3.540 59 HZ PHE 55 HZ PHE 55 48.695 -3.762 5.474 60 H ASN 56 HN ASN 56 48.920 2.343 1.006 61 HA ASN 56 HA ASN 56 50.362 3.214 -1.379 62 HB2 ASN 56 HB2 ASN 56 48.831 4.881 0.627 63 HB3 ASN 56 HB1 ASN 56 49.416 5.405 -0.949 64 HD21 ASN 56 HD21 ASN 56 48.236 4.983 -2.733 65 HD22 ASN 56 HD22 ASN 56 46.706 4.181 -2.718 66 H CYS 57 HN CYS 57 52.292 4.209 -1.356 67 HA CYS 57 HA CYS 57 53.864 4.124 1.031 68 HB2 CYS 57 HB2 CYS 57 54.958 3.652 -1.047 69 HB3 CYS 57 HB1 CYS 57 54.409 5.165 -1.749 70 HA PRO 58 HA PRO 58 52.624 8.246 2.288 71 HB2 PRO 58 HB2 PRO 58 53.798 8.260 4.691 72 HB3 PRO 58 HB1 PRO 58 52.376 7.262 4.363 73 HG2 PRO 58 HG2 PRO 58 55.263 6.474 4.449 74 HG3 PRO 58 HG1 PRO 58 53.855 5.632 5.119 75 HD2 PRO 58 HD2 PRO 58 55.038 4.976 2.734 76 HD3 PRO 58 HD1 PRO 58 53.335 4.656 3.115 77 H ILE 59 HN ILE 59 55.409 7.514 0.910 78 HA ILE 59 HA ILE 59 56.779 9.951 1.825 79 HB ILE 59 HB ILE 59 58.030 7.577 0.439 80 HG12 ILE 59 HG12 ILE 59 59.031 7.987 3.078 81 HG13 ILE 59 HG11 ILE 59 57.275 7.940 3.173 82 HG21 ILE 59 HG21 ILE 59 60.117 8.796 1.435 83 HG22 ILE 59 HG22 ILE 59 59.058 10.206 1.410 84 HG23 ILE 59 HG23 ILE 59 59.413 9.342 -0.086 85 HD11 ILE 59 HD11 ILE 59 58.207 5.835 1.475 86 HD12 ILE 59 HD12 ILE 59 57.287 5.740 2.976 87 HD13 ILE 59 HD13 ILE 59 59.050 5.785 3.023 88 H CYS 60 HN CYS 60 56.299 7.948 -1.118 89 HA CYS 60 HA CYS 60 56.468 10.464 -2.655 90 HB2 CYS 60 HB2 CYS 60 57.364 9.283 -4.506 91 HB3 CYS 60 HB1 CYS 60 58.257 8.737 -3.092 92 H ASP 61 HN ASP 61 54.266 8.325 -1.518 93 HA ASP 61 HA ASP 61 52.012 8.225 -1.893 94 HB2 ASP 61 HB2 ASP 61 52.625 10.416 -3.387 95 HB3 ASP 61 HB1 ASP 61 52.021 9.323 -4.629 96 H LYS 62 HN LYS 62 54.243 6.435 -3.030 97 HA LYS 62 HA LYS 62 53.343 5.221 -5.379 98 HB2 LYS 62 HB2 LYS 62 55.488 4.857 -3.733 99 HB3 LYS 62 HB1 LYS 62 54.557 3.406 -3.402 100 HG2 LYS 62 HG2 LYS 62 56.053 2.847 -5.129 101 HG3 LYS 62 HG1 LYS 62 54.474 3.032 -5.894 102 HD2 LYS 62 HD2 LYS 62 55.231 5.469 -6.321 103 HD3 LYS 62 HD1 LYS 62 56.853 4.848 -6.007 104 HE2 LYS 62 HE2 LYS 62 56.481 4.775 -8.366 105 HE3 LYS 62 HE1 LYS 62 56.450 3.121 -7.758 106 HZ1 LYS 62 HZ1 LYS 62 54.227 2.921 -8.141 107 HZ2 LYS 62 HZ2 LYS 62 54.621 3.994 -9.389 108 HZ3 LYS 62 HZ3 LYS 62 53.915 4.575 -7.965 109 H ILE 63 HN ILE 63 52.603 2.836 -5.414 110 HA ILE 63 HA ILE 63 50.635 2.268 -3.323 111 HB ILE 63 HB ILE 63 49.923 2.160 -6.254 112 HG12 ILE 63 HG12 ILE 63 48.264 4.027 -5.117 113 HG13 ILE 63 HG11 ILE 63 49.787 4.348 -4.294 114 HG21 ILE 63 HG21 ILE 63 48.599 1.336 -3.746 115 HG22 ILE 63 HG22 ILE 63 48.467 0.671 -5.375 116 HG23 ILE 63 HG23 ILE 63 47.583 2.135 -4.946 117 HD11 ILE 63 HD11 ILE 63 49.074 5.429 -6.653 118 HD12 ILE 63 HD12 ILE 63 49.982 4.021 -7.203 119 HD13 ILE 63 HD13 ILE 63 50.744 5.197 -6.133 120 H PHE 64 HN PHE 64 50.146 0.095 -3.059 121 HA PHE 64 HA PHE 64 51.318 -1.864 -4.857 122 HB2 PHE 64 HB2 PHE 64 52.097 -1.657 -1.942 123 HB3 PHE 64 HB1 PHE 64 52.449 -3.044 -2.966 124 HD1 PHE 64 HD1 PHE 64 53.195 0.502 -2.352 125 HD2 PHE 64 HD2 PHE 64 54.228 -2.997 -4.543 126 HE1 PHE 64 HE1 PHE 64 55.291 1.574 -3.068 127 HE2 PHE 64 HE2 PHE 64 56.325 -1.931 -5.264 128 HZ PHE 64 HZ PHE 64 56.860 0.355 -4.524 129 HA PRO 65 HA PRO 65 47.485 -3.894 -3.878 130 HB2 PRO 65 HB2 PRO 65 48.994 -6.394 -4.403 131 HB3 PRO 65 HB1 PRO 65 47.499 -5.807 -5.138 132 HG2 PRO 65 HG2 PRO 65 49.816 -5.757 -6.469 133 HG3 PRO 65 HG1 PRO 65 48.611 -4.470 -6.656 134 HD2 PRO 65 HD2 PRO 65 51.177 -4.462 -5.133 135 HD3 PRO 65 HD1 PRO 65 50.395 -3.150 -6.038 136 H ALA 66 HN ALA 66 46.615 -5.411 -2.331 137 HA ALA 66 HA ALA 66 47.773 -5.258 0.199 138 HB1 ALA 66 HB1 ALA 66 45.555 -6.863 -0.979 139 HB2 ALA 66 HB2 ALA 66 45.513 -5.645 0.296 140 HB3 ALA 66 HB3 ALA 66 46.131 -7.260 0.640 141 H THR 67 HN THR 67 48.106 -7.655 -2.326 142 HA THR 67 HA THR 67 49.425 -9.588 -0.653 143 HB THR 67 HB THR 67 50.044 -10.383 -3.163 144 HG1 THR 67 HG1 THR 67 47.542 -9.121 -3.495 145 HG21 THR 67 HG21 THR 67 47.310 -10.748 -1.966 146 HG22 THR 67 HG22 THR 67 48.743 -11.675 -1.519 147 HG23 THR 67 HG23 THR 67 48.098 -11.783 -3.157 148 H GLU 68 HN GLU 68 50.377 -6.696 -2.061 149 HA GLU 68 HA GLU 68 53.138 -7.539 -2.450 150 HB2 GLU 68 HB2 GLU 68 51.485 -5.258 -3.346 151 HB3 GLU 68 HB1 GLU 68 53.177 -4.902 -3.027 152 HG2 GLU 68 HG2 GLU 68 53.120 -5.420 -5.289 153 HG3 GLU 68 HG1 GLU 68 53.696 -6.901 -4.526 154 H LYS 69 HN LYS 69 51.896 -7.368 0.224 155 HA LYS 69 HA LYS 69 52.675 -5.089 1.629 156 HB2 LYS 69 HB2 LYS 69 52.611 -6.509 3.636 157 HB3 LYS 69 HB1 LYS 69 51.217 -6.783 2.601 158 HG2 LYS 69 HG2 LYS 69 51.678 -8.947 2.818 159 HG3 LYS 69 HG1 LYS 69 53.010 -8.653 1.699 160 HD2 LYS 69 HD2 LYS 69 54.453 -9.237 3.287 161 HD3 LYS 69 HD1 LYS 69 53.890 -7.892 4.282 162 HE2 LYS 69 HE2 LYS 69 52.407 -10.497 4.190 163 HE3 LYS 69 HE1 LYS 69 53.786 -10.266 5.265 164 HZ1 LYS 69 HZ1 LYS 69 51.167 -8.912 5.306 165 HZ2 LYS 69 HZ2 LYS 69 52.519 -8.185 6.019 166 HZ3 LYS 69 HZ3 LYS 69 51.981 -9.692 6.567 167 H GLN 70 HN GLN 70 54.506 -7.859 0.555 168 HA GLN 70 HA GLN 70 56.807 -7.424 2.150 169 HB2 GLN 70 HB2 GLN 70 56.191 -9.015 -0.299 170 HB3 GLN 70 HB1 GLN 70 57.876 -8.751 0.127 171 HG2 GLN 70 HG2 GLN 70 56.466 -9.561 2.461 172 HG3 GLN 70 HG1 GLN 70 56.079 -10.673 1.151 173 HE21 GLN 70 HE21 GLN 70 58.649 -9.305 3.084 174 HE22 GLN 70 HE22 GLN 70 59.818 -10.533 2.750 175 H ILE 71 HN ILE 71 56.120 -6.667 -1.245 176 HA ILE 71 HA ILE 71 58.514 -5.227 -1.688 177 HB ILE 71 HB ILE 71 55.902 -4.933 -3.176 178 HG12 ILE 71 HG12 ILE 71 57.436 -6.512 -4.753 179 HG13 ILE 71 HG11 ILE 71 57.970 -7.051 -3.163 180 HG21 ILE 71 HG21 ILE 71 57.528 -4.377 -5.064 181 HG22 ILE 71 HG22 ILE 71 58.734 -4.161 -3.796 182 HG23 ILE 71 HG23 ILE 71 57.287 -3.154 -3.816 183 HD11 ILE 71 HD11 ILE 71 56.204 -8.376 -3.096 184 HD12 ILE 71 HD12 ILE 71 55.571 -7.683 -4.588 185 HD13 ILE 71 HD13 ILE 71 55.178 -6.943 -3.036 186 H PHE 72 HN PHE 72 55.370 -4.342 -0.446 187 HA PHE 72 HA PHE 72 55.616 -1.541 -0.706 188 HB2 PHE 72 HB2 PHE 72 53.450 -2.556 -0.303 189 HB3 PHE 72 HB1 PHE 72 54.004 -3.205 1.238 190 HD1 PHE 72 HD2 PHE 72 53.794 0.096 -0.494 191 HD2 PHE 72 HD1 PHE 72 53.336 -2.095 3.125 192 HE1 PHE 72 HE2 PHE 72 53.016 2.137 0.640 193 HE2 PHE 72 HE1 PHE 72 52.557 -0.059 4.265 194 HZ PHE 72 HZ PHE 72 52.396 2.062 3.021 195 H GLU 73 HN GLU 73 56.555 -3.807 1.819 196 HA GLU 73 HA GLU 73 57.360 -1.808 3.686 197 HB2 GLU 73 HB2 GLU 73 57.602 -4.769 3.470 198 HB3 GLU 73 HB1 GLU 73 58.730 -3.941 4.535 199 HG2 GLU 73 HG2 GLU 73 56.282 -2.845 5.193 200 HG3 GLU 73 HG1 GLU 73 55.923 -4.547 4.908 201 H ASP 74 HN ASP 74 58.890 -3.623 1.119 202 HA ASP 74 HA ASP 74 61.548 -2.868 1.747 203 HB2 ASP 74 HB2 ASP 74 60.444 -4.700 0.059 204 HB3 ASP 74 HB1 ASP 74 60.948 -3.453 -1.078 205 H HIS 75 HN HIS 75 59.133 -1.664 -0.531 206 HA HIS 75 HA HIS 75 60.631 0.299 -1.790 207 HB2 HIS 75 HB2 HIS 75 58.433 -0.302 -2.595 208 HB3 HIS 75 HB1 HIS 75 57.689 0.266 -1.103 209 HD1 HIS 75 HD1 HIS 75 58.502 1.370 -4.468 210 HD2 HIS 75 HD2 HIS 75 58.031 3.160 -0.743 211 HE1 HIS 75 HE1 HIS 75 58.145 3.838 -4.899 212 H VAL 76 HN VAL 76 58.509 0.667 1.036 213 HA VAL 76 HA VAL 76 59.137 3.342 1.593 214 HB VAL 76 HB VAL 76 58.364 1.158 3.541 215 HG11 VAL 76 HG11 VAL 76 58.845 2.704 5.088 216 HG12 VAL 76 HG12 VAL 76 57.381 3.516 4.534 217 HG13 VAL 76 HG13 VAL 76 58.951 3.998 3.894 218 HG21 VAL 76 HG21 VAL 76 56.175 2.786 3.145 219 HG22 VAL 76 HG22 VAL 76 56.426 1.193 2.432 220 HG23 VAL 76 HG23 VAL 76 56.872 2.641 1.530 221 H PHE 77 HN PHE 77 60.669 0.320 2.478 222 HA PHE 77 HA PHE 77 62.505 1.227 4.373 223 HB2 PHE 77 HB2 PHE 77 62.014 -1.189 3.585 224 HB3 PHE 77 HB1 PHE 77 63.203 -0.872 2.327 225 HD1 PHE 77 HD1 PHE 77 65.522 -0.063 3.105 226 HD2 PHE 77 HD2 PHE 77 62.690 -1.948 5.662 227 HE1 PHE 77 HE1 PHE 77 67.329 -0.651 4.667 228 HE2 PHE 77 HE2 PHE 77 64.493 -2.539 7.229 229 HZ PHE 77 HZ PHE 77 66.817 -1.891 6.732 230 H CYS 78 HN CYS 78 62.464 1.460 0.887 231 HA CYS 78 HA CYS 78 65.159 2.230 0.561 232 HB2 CYS 78 HB2 CYS 78 62.945 1.803 -1.131 233 HB3 CYS 78 HB1 CYS 78 63.458 3.463 -1.415 234 HG CYS 78 HG CYS 78 65.898 2.367 -1.894 235 H HIS 79 HN HIS 79 62.175 4.084 0.918 236 HA HIS 79 HA HIS 79 63.397 6.632 0.835 237 HB2 HIS 79 HB2 HIS 79 60.849 5.696 2.173 238 HB3 HIS 79 HB1 HIS 79 61.341 7.383 2.085 239 HD1 HIS 79 HD1 HIS 79 61.486 8.386 -0.438 240 HD2 HIS 79 HD2 HIS 79 59.508 4.766 0.036 241 HE1 HIS 79 HE1 HIS 79 60.090 8.061 -2.525 242 H SER 80 HN SER 80 63.400 4.105 3.122 243 HA SER 80 HA SER 80 63.866 5.704 5.458 244 HB2 SER 80 HB2 SER 80 63.382 2.949 4.881 245 HB3 SER 80 HB1 SER 80 64.852 3.067 5.847 246 HG SER 80 HG SER 80 63.525 4.512 7.233 247 H LEU 81 HN LEU 81 65.782 4.707 2.844 248 HA LEU 81 HA LEU 81 68.271 4.574 4.245 249 HB2 LEU 81 HB2 LEU 81 67.755 4.898 1.297 250 HB3 LEU 81 HB1 LEU 81 69.278 4.432 2.040 251 HG LEU 81 HG LEU 81 66.874 2.785 2.612 252 HD11 LEU 81 HD11 LEU 81 68.492 2.438 0.092 253 HD12 LEU 81 HD12 LEU 81 66.911 3.217 0.136 254 HD13 LEU 81 HD13 LEU 81 67.072 1.524 0.599 255 HD21 LEU 81 HD21 LEU 81 68.601 1.852 3.734 256 HD22 LEU 81 HD22 LEU 81 69.815 2.521 2.643 257 HD23 LEU 81 HD23 LEU 81 68.904 1.085 2.174 Start of MODEL 8 1 H1 GLN 49 HT1 GLN 49 33.246 -1.584 4.902 2 H2 GLN 49 HT2 GLN 49 33.767 -1.484 6.534 3 H3 GLN 49 HT3 GLN 49 33.710 -3.006 5.741 4 HA GLN 49 HA GLN 49 35.467 -2.486 4.361 5 HB2 GLN 49 HB2 GLN 49 34.869 0.297 5.302 6 HB3 GLN 49 HB1 GLN 49 36.478 -0.092 4.707 7 HG2 GLN 49 HG2 GLN 49 35.642 0.487 2.721 8 HG3 GLN 49 HG1 GLN 49 34.938 -1.129 2.738 9 HE21 GLN 49 HE21 GLN 49 33.373 -0.162 1.277 10 HE22 GLN 49 HE22 GLN 49 32.022 0.693 1.935 11 H MET 50 HN MET 50 36.848 -3.768 5.422 12 HA MET 50 HA MET 50 37.701 -3.050 8.125 13 HB2 MET 50 HB2 MET 50 36.906 -5.368 7.633 14 HB3 MET 50 HB1 MET 50 38.288 -5.570 6.564 15 HG2 MET 50 HG2 MET 50 39.265 -6.443 8.373 16 HG3 MET 50 HG1 MET 50 39.522 -4.759 8.825 17 HE1 MET 50 HE1 MET 50 39.254 -5.365 11.970 18 HE2 MET 50 HE2 MET 50 37.995 -4.136 11.846 19 HE3 MET 50 HE3 MET 50 39.377 -4.096 10.751 20 H GLN 51 HN GLN 51 38.927 -3.454 4.868 21 HA GLN 51 HA GLN 51 41.325 -1.997 5.593 22 HB2 GLN 51 HB2 GLN 51 42.766 -3.727 4.410 23 HB3 GLN 51 HB1 GLN 51 42.181 -4.159 6.011 24 HG2 GLN 51 HG2 GLN 51 40.239 -5.284 4.684 25 HG3 GLN 51 HG1 GLN 51 41.389 -5.235 3.349 26 HE21 GLN 51 HE21 GLN 51 41.438 -6.011 6.817 27 HE22 GLN 51 HE22 GLN 51 42.331 -7.480 6.648 28 HA PRO 52 HA PRO 52 40.754 -0.348 1.545 29 HB2 PRO 52 HB2 PRO 52 43.264 0.457 0.931 30 HB3 PRO 52 HB1 PRO 52 42.268 1.277 2.139 31 HG2 PRO 52 HG2 PRO 52 44.456 -0.729 2.533 32 HG3 PRO 52 HG1 PRO 52 44.137 0.769 3.427 33 HD2 PRO 52 HD2 PRO 52 43.421 -1.678 4.357 34 HD3 PRO 52 HD1 PRO 52 42.503 -0.204 4.723 35 H LEU 53 HN LEU 53 42.841 -3.034 2.071 36 HA LEU 53 HA LEU 53 43.514 -4.752 0.743 37 HB2 LEU 53 HB2 LEU 53 41.015 -4.172 -0.110 38 HB3 LEU 53 HB1 LEU 53 41.915 -3.899 -1.590 39 HG LEU 53 HG LEU 53 42.910 -6.245 -1.177 40 HD11 LEU 53 HD11 LEU 53 40.907 -7.576 -0.016 41 HD12 LEU 53 HD12 LEU 53 40.812 -6.072 0.898 42 HD13 LEU 53 HD13 LEU 53 42.314 -6.995 0.874 43 HD21 LEU 53 HD21 LEU 53 41.452 -5.826 -3.020 44 HD22 LEU 53 HD22 LEU 53 40.040 -5.783 -1.965 45 HD23 LEU 53 HD23 LEU 53 40.902 -7.300 -2.225 46 H CYS 54 HN CYS 54 44.920 -2.234 0.696 47 HA CYS 54 HA CYS 54 46.703 -2.732 -1.437 48 HB2 CYS 54 HB2 CYS 54 46.373 -0.703 -2.759 49 HB3 CYS 54 HB1 CYS 54 44.917 -1.692 -2.773 50 HG CYS 54 HG CYS 54 44.325 0.846 -2.389 51 H PHE 55 HN PHE 55 48.648 -1.723 -1.097 52 HA PHE 55 HA PHE 55 48.815 -0.080 1.324 53 HB2 PHE 55 HB2 PHE 55 50.711 -1.894 -0.106 54 HB3 PHE 55 HB1 PHE 55 51.372 -0.580 0.862 55 HD1 PHE 55 HD2 PHE 55 49.880 -0.405 3.217 56 HD2 PHE 55 HD1 PHE 55 50.807 -3.903 0.977 57 HE1 PHE 55 HE2 PHE 55 49.622 -1.770 5.248 58 HE2 PHE 55 HE1 PHE 55 50.550 -5.273 3.003 59 HZ PHE 55 HZ PHE 55 49.957 -4.207 5.143 60 H ASN 56 HN ASN 56 50.235 1.786 1.349 61 HA ASN 56 HA ASN 56 50.933 2.907 -1.244 62 HB2 ASN 56 HB2 ASN 56 49.821 5.101 -0.556 63 HB3 ASN 56 HB1 ASN 56 48.757 3.803 -1.087 64 HD21 ASN 56 HD21 ASN 56 47.213 5.207 0.093 65 HD22 ASN 56 HD22 ASN 56 46.997 4.918 1.783 66 H CYS 57 HN CYS 57 52.786 3.983 -1.189 67 HA CYS 57 HA CYS 57 54.200 4.247 1.302 68 HB2 CYS 57 HB2 CYS 57 55.491 3.541 -0.574 69 HB3 CYS 57 HB1 CYS 57 54.908 4.873 -1.564 70 HA PRO 58 HA PRO 58 52.759 8.458 1.824 71 HB2 PRO 58 HB2 PRO 58 53.802 8.900 4.251 72 HB3 PRO 58 HB1 PRO 58 52.423 7.820 4.019 73 HG2 PRO 58 HG2 PRO 58 55.315 7.147 4.387 74 HG3 PRO 58 HG1 PRO 58 53.888 6.374 5.100 75 HD2 PRO 58 HD2 PRO 58 55.233 5.396 2.917 76 HD3 PRO 58 HD1 PRO 58 53.520 5.077 3.251 77 H ILE 59 HN ILE 59 56.054 7.398 1.702 78 HA ILE 59 HA ILE 59 57.265 9.949 2.078 79 HB ILE 59 HB ILE 59 58.454 7.591 0.619 80 HG12 ILE 59 HG12 ILE 59 59.498 7.628 3.189 81 HG13 ILE 59 HG11 ILE 59 57.788 7.967 3.442 82 HG21 ILE 59 HG21 ILE 59 59.511 10.141 1.741 83 HG22 ILE 59 HG22 ILE 59 59.910 9.321 0.231 84 HG23 ILE 59 HG23 ILE 59 60.539 8.708 1.759 85 HD11 ILE 59 HD11 ILE 59 57.131 5.923 2.574 86 HD12 ILE 59 HD12 ILE 59 58.593 5.531 3.477 87 HD13 ILE 59 HD13 ILE 59 58.655 5.682 1.721 88 H CYS 60 HN CYS 60 56.705 7.992 -0.884 89 HA CYS 60 HA CYS 60 57.010 10.500 -2.405 90 HB2 CYS 60 HB2 CYS 60 57.755 9.255 -4.282 91 HB3 CYS 60 HB1 CYS 60 58.629 8.626 -2.890 92 H ASP 61 HN ASP 61 54.670 8.467 -1.270 93 HA ASP 61 HA ASP 61 52.412 8.480 -1.614 94 HB2 ASP 61 HB2 ASP 61 52.775 10.028 -4.172 95 HB3 ASP 61 HB1 ASP 61 51.369 9.970 -3.114 96 H LYS 62 HN LYS 62 54.116 6.415 -2.497 97 HA LYS 62 HA LYS 62 53.175 5.573 -5.102 98 HB2 LYS 62 HB2 LYS 62 55.408 4.979 -3.491 99 HB3 LYS 62 HB1 LYS 62 54.495 3.483 -3.614 100 HG2 LYS 62 HG2 LYS 62 54.595 4.614 -6.201 101 HG3 LYS 62 HG1 LYS 62 56.222 4.693 -5.525 102 HD2 LYS 62 HD2 LYS 62 55.991 2.272 -4.919 103 HD3 LYS 62 HD1 LYS 62 54.477 2.253 -5.826 104 HE2 LYS 62 HE2 LYS 62 56.124 1.447 -7.307 105 HE3 LYS 62 HE1 LYS 62 55.806 3.109 -7.800 106 HZ1 LYS 62 HZ1 LYS 62 57.794 3.825 -6.701 107 HZ2 LYS 62 HZ2 LYS 62 58.189 2.543 -7.732 108 HZ3 LYS 62 HZ3 LYS 62 58.068 2.281 -6.065 109 H ILE 63 HN ILE 63 52.142 3.408 -5.380 110 HA ILE 63 HA ILE 63 50.660 2.425 -3.073 111 HB ILE 63 HB ILE 63 49.235 3.428 -5.540 112 HG12 ILE 63 HG12 ILE 63 48.068 4.797 -3.603 113 HG13 ILE 63 HG11 ILE 63 49.599 4.522 -2.781 114 HG21 ILE 63 HG21 ILE 63 47.179 2.823 -4.291 115 HG22 ILE 63 HG22 ILE 63 48.190 2.049 -3.071 116 HG23 ILE 63 HG23 ILE 63 48.172 1.431 -4.722 117 HD11 ILE 63 HD11 ILE 63 50.514 5.403 -5.136 118 HD12 ILE 63 HD12 ILE 63 50.130 6.465 -3.781 119 HD13 ILE 63 HD13 ILE 63 48.963 6.240 -5.084 120 H PHE 64 HN PHE 64 50.124 0.318 -3.189 121 HA PHE 64 HA PHE 64 50.171 -1.096 -5.721 122 HB2 PHE 64 HB2 PHE 64 51.678 -2.679 -3.834 123 HB3 PHE 64 HB1 PHE 64 52.102 -2.204 -5.470 124 HD1 PHE 64 HD2 PHE 64 51.867 -0.568 -2.114 125 HD2 PHE 64 HD1 PHE 64 54.103 -1.144 -5.688 126 HE1 PHE 64 HE2 PHE 64 53.658 0.862 -1.220 127 HE2 PHE 64 HE1 PHE 64 55.900 0.279 -4.799 128 HZ PHE 64 HZ PHE 64 55.683 1.283 -2.561 129 HA PRO 65 HA PRO 65 46.895 -3.494 -4.038 130 HB2 PRO 65 HB2 PRO 65 48.415 -5.955 -4.734 131 HB3 PRO 65 HB1 PRO 65 46.776 -5.478 -5.189 132 HG2 PRO 65 HG2 PRO 65 48.768 -5.352 -6.952 133 HG3 PRO 65 HG1 PRO 65 47.507 -4.106 -6.906 134 HD2 PRO 65 HD2 PRO 65 50.321 -3.998 -5.909 135 HD3 PRO 65 HD1 PRO 65 49.342 -2.728 -6.673 136 H ALA 66 HN ALA 66 46.311 -4.948 -2.327 137 HA ALA 66 HA ALA 66 47.889 -4.695 -0.023 138 HB1 ALA 66 HB1 ALA 66 45.716 -4.971 0.566 139 HB2 ALA 66 HB2 ALA 66 46.235 -6.649 0.720 140 HB3 ALA 66 HB3 ALA 66 45.393 -6.117 -0.734 141 H THR 67 HN THR 67 47.861 -7.100 -2.516 142 HA THR 67 HA THR 67 49.179 -9.129 -0.969 143 HB THR 67 HB THR 67 49.605 -9.951 -3.479 144 HG1 THR 67 HG1 THR 67 48.468 -8.926 -4.909 145 HG21 THR 67 HG21 THR 67 46.887 -10.011 -2.192 146 HG22 THR 67 HG22 THR 67 48.208 -11.136 -1.871 147 HG23 THR 67 HG23 THR 67 47.463 -11.081 -3.469 148 H GLU 68 HN GLU 68 50.217 -6.233 -2.202 149 HA GLU 68 HA GLU 68 52.884 -7.185 -2.888 150 HB2 GLU 68 HB2 GLU 68 51.321 -4.733 -3.429 151 HB3 GLU 68 HB1 GLU 68 53.050 -4.507 -3.202 152 HG2 GLU 68 HG2 GLU 68 52.400 -4.796 -5.560 153 HG3 GLU 68 HG1 GLU 68 53.543 -6.015 -4.999 154 H LYS 69 HN LYS 69 51.849 -7.240 -0.133 155 HA LYS 69 HA LYS 69 52.791 -5.176 1.464 156 HB2 LYS 69 HB2 LYS 69 52.881 -6.838 3.281 157 HB3 LYS 69 HB1 LYS 69 51.397 -6.961 2.347 158 HG2 LYS 69 HG2 LYS 69 51.898 -9.017 1.562 159 HG3 LYS 69 HG1 LYS 69 53.629 -8.687 1.485 160 HD2 LYS 69 HD2 LYS 69 53.676 -10.105 3.249 161 HD3 LYS 69 HD1 LYS 69 53.284 -8.636 4.145 162 HE2 LYS 69 HE2 LYS 69 50.958 -10.037 3.043 163 HE3 LYS 69 HE1 LYS 69 51.862 -10.965 4.239 164 HZ1 LYS 69 HZ1 LYS 69 51.705 -8.967 5.705 165 HZ2 LYS 69 HZ2 LYS 69 50.228 -9.729 5.392 166 HZ3 LYS 69 HZ3 LYS 69 50.626 -8.294 4.590 167 H GLN 70 HN GLN 70 54.522 -7.743 -0.132 168 HA GLN 70 HA GLN 70 56.937 -7.507 1.355 169 HB2 GLN 70 HB2 GLN 70 56.489 -8.585 -1.435 170 HB3 GLN 70 HB1 GLN 70 57.942 -8.817 -0.471 171 HG2 GLN 70 HG2 GLN 70 55.833 -9.683 1.141 172 HG3 GLN 70 HG1 GLN 70 55.486 -10.306 -0.471 173 HE21 GLN 70 HE21 GLN 70 58.137 -10.010 1.861 174 HE22 GLN 70 HE22 GLN 70 58.852 -11.542 1.505 175 H ILE 71 HN ILE 71 55.723 -6.072 -1.621 176 HA ILE 71 HA ILE 71 58.168 -4.679 -2.196 177 HB ILE 71 HB ILE 71 55.431 -4.126 -3.339 178 HG12 ILE 71 HG12 ILE 71 57.564 -6.056 -4.282 179 HG13 ILE 71 HG11 ILE 71 55.984 -6.489 -3.637 180 HG21 ILE 71 HG21 ILE 71 57.650 -2.632 -3.596 181 HG22 ILE 71 HG22 ILE 71 56.426 -2.784 -4.856 182 HG23 ILE 71 HG23 ILE 71 57.890 -3.766 -4.926 183 HD11 ILE 71 HD11 ILE 71 56.752 -5.706 -6.319 184 HD12 ILE 71 HD12 ILE 71 55.369 -4.797 -5.710 185 HD13 ILE 71 HD13 ILE 71 55.317 -6.560 -5.751 186 H PHE 72 HN PHE 72 55.184 -3.988 -0.514 187 HA PHE 72 HA PHE 72 55.517 -1.166 -0.384 188 HB2 PHE 72 HB2 PHE 72 53.318 -2.039 -0.049 189 HB3 PHE 72 HB1 PHE 72 53.868 -3.111 1.234 190 HD1 PHE 72 HD1 PHE 72 54.314 0.542 0.605 191 HD2 PHE 72 HD2 PHE 72 52.907 -2.502 3.223 192 HE1 PHE 72 HE1 PHE 72 53.737 2.252 2.276 193 HE2 PHE 72 HE2 PHE 72 52.326 -0.798 4.900 194 HZ PHE 72 HZ PHE 72 52.741 1.583 4.426 195 H GLU 73 HN GLU 73 56.559 -3.863 1.599 196 HA GLU 73 HA GLU 73 57.491 -2.237 3.763 197 HB2 GLU 73 HB2 GLU 73 57.329 -5.084 3.134 198 HB3 GLU 73 HB1 GLU 73 58.831 -4.658 3.944 199 HG2 GLU 73 HG2 GLU 73 56.173 -3.780 5.009 200 HG3 GLU 73 HG1 GLU 73 56.842 -5.368 5.379 201 H ASP 74 HN ASP 74 58.916 -3.862 0.983 202 HA ASP 74 HA ASP 74 61.585 -3.122 1.600 203 HB2 ASP 74 HB2 ASP 74 60.492 -4.903 -0.126 204 HB3 ASP 74 HB1 ASP 74 60.902 -3.598 -1.235 205 H HIS 75 HN HIS 75 59.043 -1.761 -0.405 206 HA HIS 75 HA HIS 75 60.503 0.233 -1.695 207 HB2 HIS 75 HB2 HIS 75 58.222 -0.368 -2.345 208 HB3 HIS 75 HB1 HIS 75 57.610 0.266 -0.819 209 HD1 HIS 75 HD1 HIS 75 57.961 1.236 -4.235 210 HD2 HIS 75 HD2 HIS 75 58.376 3.169 -0.574 211 HE1 HIS 75 HE1 HIS 75 57.798 3.718 -4.709 212 H VAL 76 HN VAL 76 58.547 0.467 1.255 213 HA VAL 76 HA VAL 76 59.241 3.110 1.902 214 HB VAL 76 HB VAL 76 58.513 0.892 3.822 215 HG11 VAL 76 HG11 VAL 76 58.322 2.429 5.450 216 HG12 VAL 76 HG12 VAL 76 57.653 3.644 4.363 217 HG13 VAL 76 HG13 VAL 76 59.397 3.389 4.436 218 HG21 VAL 76 HG21 VAL 76 56.468 2.819 2.922 219 HG22 VAL 76 HG22 VAL 76 56.328 1.099 3.285 220 HG23 VAL 76 HG23 VAL 76 56.987 1.623 1.735 221 H PHE 77 HN PHE 77 60.751 0.022 2.569 222 HA PHE 77 HA PHE 77 62.606 0.782 4.508 223 HB2 PHE 77 HB2 PHE 77 62.054 -1.563 3.374 224 HB3 PHE 77 HB1 PHE 77 63.454 -1.145 2.393 225 HD1 PHE 77 HD2 PHE 77 62.454 -1.131 5.991 226 HD2 PHE 77 HD1 PHE 77 65.483 -1.924 3.108 227 HE1 PHE 77 HE2 PHE 77 63.939 -1.940 7.779 228 HE2 PHE 77 HE1 PHE 77 66.972 -2.735 4.890 229 HZ PHE 77 HZ PHE 77 66.202 -2.743 7.230 230 H CYS 78 HN CYS 78 62.651 1.111 1.012 231 HA CYS 78 HA CYS 78 65.332 1.932 0.787 232 HB2 CYS 78 HB2 CYS 78 62.915 2.256 -0.958 233 HB3 CYS 78 HB1 CYS 78 64.412 3.088 -1.366 234 HG CYS 78 HG CYS 78 65.166 1.011 -2.395 235 H HIS 79 HN HIS 79 62.331 3.773 1.104 236 HA HIS 79 HA HIS 79 63.570 6.318 1.118 237 HB2 HIS 79 HB2 HIS 79 60.958 5.361 2.309 238 HB3 HIS 79 HB1 HIS 79 61.465 7.046 2.316 239 HD1 HIS 79 HD1 HIS 79 61.682 8.186 -0.121 240 HD2 HIS 79 HD2 HIS 79 59.783 4.498 0.040 241 HE1 HIS 79 HE1 HIS 79 60.401 7.955 -2.290 242 H SER 80 HN SER 80 63.492 3.745 3.342 243 HA SER 80 HA SER 80 63.858 5.289 5.732 244 HB2 SER 80 HB2 SER 80 63.345 2.574 5.101 245 HB3 SER 80 HB1 SER 80 64.841 2.615 6.032 246 HG SER 80 HG SER 80 62.288 3.591 6.761 247 H LEU 81 HN LEU 81 65.875 4.336 3.174 248 HA LEU 81 HA LEU 81 68.311 4.177 4.656 249 HB2 LEU 81 HB2 LEU 81 67.900 4.586 1.702 250 HB3 LEU 81 HB1 LEU 81 69.393 4.092 2.486 251 HG LEU 81 HG LEU 81 66.964 2.440 2.919 252 HD11 LEU 81 HD11 LEU 81 67.070 2.927 0.467 253 HD12 LEU 81 HD12 LEU 81 67.263 1.223 0.878 254 HD13 LEU 81 HD13 LEU 81 68.673 2.191 0.445 255 HD21 LEU 81 HD21 LEU 81 69.899 2.161 3.059 256 HD22 LEU 81 HD22 LEU 81 69.005 0.745 2.507 257 HD23 LEU 81 HD23 LEU 81 68.639 1.462 4.076 Start of MODEL 9 1 H1 GLN 49 HT1 GLN 49 39.391 -3.639 7.513 2 H2 GLN 49 HT2 GLN 49 39.229 -4.990 8.559 3 H3 GLN 49 HT3 GLN 49 38.290 -3.579 8.825 4 HA GLN 49 HA GLN 49 38.066 -5.588 6.709 5 HB2 GLN 49 HB2 GLN 49 36.840 -5.214 9.151 6 HB3 GLN 49 HB1 GLN 49 35.703 -4.470 8.035 7 HG2 GLN 49 HG2 GLN 49 35.039 -6.435 7.219 8 HG3 GLN 49 HG1 GLN 49 36.686 -7.061 7.131 9 HE21 GLN 49 HE21 GLN 49 33.853 -6.700 9.120 10 HE22 GLN 49 HE22 GLN 49 34.297 -7.867 10.316 11 H MET 50 HN MET 50 37.538 -2.226 7.541 12 HA MET 50 HA MET 50 36.243 -1.766 4.946 13 HB2 MET 50 HB2 MET 50 36.046 -0.516 7.593 14 HB3 MET 50 HB1 MET 50 36.161 0.641 6.273 15 HG2 MET 50 HG2 MET 50 34.210 -0.207 5.239 16 HG3 MET 50 HG1 MET 50 34.181 -1.617 6.296 17 HE1 MET 50 HE1 MET 50 33.011 -0.227 9.683 18 HE2 MET 50 HE2 MET 50 34.711 -0.352 9.227 19 HE3 MET 50 HE3 MET 50 33.575 -1.615 8.752 20 H GLN 51 HN GLN 51 38.394 -2.095 3.949 21 HA GLN 51 HA GLN 51 39.749 0.470 3.695 22 HB2 GLN 51 HB2 GLN 51 41.024 -2.039 4.709 23 HB3 GLN 51 HB1 GLN 51 41.971 -0.937 3.719 24 HG2 GLN 51 HG2 GLN 51 40.475 0.064 6.105 25 HG3 GLN 51 HG1 GLN 51 42.047 -0.714 6.284 26 HE21 GLN 51 HE21 GLN 51 40.735 2.165 6.299 27 HE22 GLN 51 HE22 GLN 51 41.963 3.114 5.541 28 HA PRO 52 HA PRO 52 40.024 -0.486 -0.587 29 HB2 PRO 52 HB2 PRO 52 42.876 0.281 -0.622 30 HB3 PRO 52 HB1 PRO 52 41.508 1.001 -1.476 31 HG2 PRO 52 HG2 PRO 52 42.671 2.245 0.590 32 HG3 PRO 52 HG1 PRO 52 40.923 2.340 0.314 33 HD2 PRO 52 HD2 PRO 52 42.445 0.669 2.278 34 HD3 PRO 52 HD1 PRO 52 40.918 1.550 2.492 35 H LEU 53 HN LEU 53 42.157 -2.008 1.630 36 HA LEU 53 HA LEU 53 43.048 -4.108 1.645 37 HB2 LEU 53 HB2 LEU 53 41.008 -4.418 -0.083 38 HB3 LEU 53 HB1 LEU 53 42.351 -4.711 -1.171 39 HG LEU 53 HG LEU 53 43.009 -6.293 0.968 40 HD11 LEU 53 HD11 LEU 53 40.868 -7.598 1.350 41 HD12 LEU 53 HD12 LEU 53 40.018 -6.188 0.721 42 HD13 LEU 53 HD13 LEU 53 41.007 -6.046 2.174 43 HD21 LEU 53 HD21 LEU 53 43.268 -7.185 -1.150 44 HD22 LEU 53 HD22 LEU 53 41.616 -6.794 -1.629 45 HD23 LEU 53 HD23 LEU 53 41.919 -8.126 -0.513 46 H CYS 54 HN CYS 54 44.439 -1.737 0.769 47 HA CYS 54 HA CYS 54 46.724 -3.030 -0.465 48 HB2 CYS 54 HB2 CYS 54 45.493 -0.561 -1.714 49 HB3 CYS 54 HB1 CYS 54 46.974 -1.358 -2.231 50 HG CYS 54 HG CYS 54 45.056 -3.446 -2.588 51 H PHE 55 HN PHE 55 48.372 -0.974 -0.895 52 HA PHE 55 HA PHE 55 48.343 0.669 1.537 53 HB2 PHE 55 HB2 PHE 55 50.619 -1.036 0.519 54 HB3 PHE 55 HB1 PHE 55 50.855 0.284 1.660 55 HD1 PHE 55 HD2 PHE 55 49.192 -2.977 1.173 56 HD2 PHE 55 HD1 PHE 55 50.391 0.015 3.951 57 HE1 PHE 55 HE2 PHE 55 48.661 -4.497 3.033 58 HE2 PHE 55 HE1 PHE 55 49.862 -1.499 5.816 59 HZ PHE 55 HZ PHE 55 48.995 -3.759 5.359 60 H ASN 56 HN ASN 56 49.985 2.476 1.387 61 HA ASN 56 HA ASN 56 50.572 3.275 -1.361 62 HB2 ASN 56 HB2 ASN 56 49.155 5.148 0.538 63 HB3 ASN 56 HB1 ASN 56 49.517 5.415 -1.165 64 HD21 ASN 56 HD21 ASN 56 48.553 3.723 -2.650 65 HD22 ASN 56 HD22 ASN 56 46.922 3.257 -2.324 66 H CYS 57 HN CYS 57 52.550 4.084 -1.522 67 HA CYS 57 HA CYS 57 54.164 4.504 0.803 68 HB2 CYS 57 HB2 CYS 57 55.215 3.562 -1.138 69 HB3 CYS 57 HB1 CYS 57 54.682 4.900 -2.146 70 HA PRO 58 HA PRO 58 52.819 8.794 1.148 71 HB2 PRO 58 HB2 PRO 58 54.660 8.912 3.419 72 HB3 PRO 58 HB1 PRO 58 52.907 9.108 3.389 73 HG2 PRO 58 HG2 PRO 58 54.121 6.947 4.474 74 HG3 PRO 58 HG1 PRO 58 52.517 6.874 3.722 75 HD2 PRO 58 HD2 PRO 58 55.169 6.023 2.637 76 HD3 PRO 58 HD1 PRO 58 53.576 5.256 2.462 77 H ILE 59 HN ILE 59 55.992 7.563 0.674 78 HA ILE 59 HA ILE 59 57.314 10.111 0.663 79 HB ILE 59 HB ILE 59 58.299 7.495 -0.465 80 HG12 ILE 59 HG12 ILE 59 59.605 7.973 1.937 81 HG13 ILE 59 HG11 ILE 59 57.936 8.420 2.279 82 HG21 ILE 59 HG21 ILE 59 59.557 10.149 0.062 83 HG22 ILE 59 HG22 ILE 59 59.741 9.074 -1.323 84 HG23 ILE 59 HG23 ILE 59 60.528 8.684 0.206 85 HD11 ILE 59 HD11 ILE 59 58.763 5.792 1.077 86 HD12 ILE 59 HD12 ILE 59 57.162 6.248 1.658 87 HD13 ILE 59 HD13 ILE 59 58.496 6.062 2.798 88 H CYS 60 HN CYS 60 56.481 7.769 -1.941 89 HA CYS 60 HA CYS 60 56.609 10.062 -3.796 90 HB2 CYS 60 HB2 CYS 60 57.434 8.663 -5.523 91 HB3 CYS 60 HB1 CYS 60 58.392 8.302 -4.092 92 H ASP 61 HN ASP 61 54.498 7.986 -2.336 93 HA ASP 61 HA ASP 61 52.217 7.884 -2.595 94 HB2 ASP 61 HB2 ASP 61 52.732 9.840 -4.392 95 HB3 ASP 61 HB1 ASP 61 52.151 8.572 -5.468 96 H LYS 62 HN LYS 62 54.460 5.973 -3.651 97 HA LYS 62 HA LYS 62 53.435 4.412 -5.712 98 HB2 LYS 62 HB2 LYS 62 55.717 4.215 -4.650 99 HB3 LYS 62 HB1 LYS 62 54.954 3.345 -3.329 100 HG2 LYS 62 HG2 LYS 62 55.918 1.759 -4.823 101 HG3 LYS 62 HG1 LYS 62 54.165 1.660 -4.974 102 HD2 LYS 62 HD2 LYS 62 54.584 3.408 -6.910 103 HD3 LYS 62 HD1 LYS 62 56.190 2.680 -6.903 104 HE2 LYS 62 HE2 LYS 62 53.550 1.293 -7.328 105 HE3 LYS 62 HE1 LYS 62 54.843 1.517 -8.505 106 HZ1 LYS 62 HZ1 LYS 62 56.146 0.238 -6.570 107 HZ2 LYS 62 HZ2 LYS 62 55.387 -0.550 -7.859 108 HZ3 LYS 62 HZ3 LYS 62 54.603 -0.428 -6.366 109 H ILE 63 HN ILE 63 52.446 2.222 -5.554 110 HA ILE 63 HA ILE 63 50.736 1.888 -3.193 111 HB ILE 63 HB ILE 63 49.669 1.636 -6.002 112 HG12 ILE 63 HG12 ILE 63 48.299 3.717 -4.975 113 HG13 ILE 63 HG11 ILE 63 49.840 3.957 -4.159 114 HG21 ILE 63 HG21 ILE 63 48.208 1.734 -3.369 115 HG22 ILE 63 HG22 ILE 63 48.618 0.247 -4.226 116 HG23 ILE 63 HG23 ILE 63 47.521 1.417 -4.962 117 HD11 ILE 63 HD11 ILE 63 49.384 5.108 -6.433 118 HD12 ILE 63 HD12 ILE 63 49.778 3.528 -7.109 119 HD13 ILE 63 HD13 ILE 63 50.961 4.384 -6.121 120 H PHE 64 HN PHE 64 50.220 -0.198 -2.661 121 HA PHE 64 HA PHE 64 51.010 -2.371 -4.441 122 HB2 PHE 64 HB2 PHE 64 52.018 -2.149 -1.595 123 HB3 PHE 64 HB1 PHE 64 52.282 -3.510 -2.678 124 HD1 PHE 64 HD1 PHE 64 53.134 -0.001 -2.000 125 HD2 PHE 64 HD2 PHE 64 53.963 -3.444 -4.359 126 HE1 PHE 64 HE1 PHE 64 55.207 1.052 -2.802 127 HE2 PHE 64 HE2 PHE 64 56.038 -2.397 -5.166 128 HZ PHE 64 HZ PHE 64 56.663 -0.147 -4.385 129 HA PRO 65 HA PRO 65 47.228 -4.100 -2.919 130 HB2 PRO 65 HB2 PRO 65 47.847 -6.778 -3.168 131 HB3 PRO 65 HB1 PRO 65 47.280 -5.753 -4.490 132 HG2 PRO 65 HG2 PRO 65 50.059 -6.597 -3.802 133 HG3 PRO 65 HG1 PRO 65 49.299 -6.424 -5.394 134 HD2 PRO 65 HD2 PRO 65 50.997 -4.575 -4.414 135 HD3 PRO 65 HD1 PRO 65 49.612 -4.133 -5.434 136 H ALA 66 HN ALA 66 46.370 -5.126 -1.092 137 HA ALA 66 HA ALA 66 47.756 -4.851 1.282 138 HB1 ALA 66 HB1 ALA 66 45.253 -6.238 0.494 139 HB2 ALA 66 HB2 ALA 66 45.508 -4.922 1.639 140 HB3 ALA 66 HB3 ALA 66 45.921 -6.576 2.090 141 H THR 67 HN THR 67 47.680 -7.560 -0.906 142 HA THR 67 HA THR 67 48.788 -9.436 0.964 143 HB THR 67 HB THR 67 49.240 -10.587 -1.442 144 HG1 THR 67 HG1 THR 67 46.909 -9.063 -1.894 145 HG21 THR 67 HG21 THR 67 47.695 -11.282 0.504 146 HG22 THR 67 HG22 THR 67 47.356 -11.871 -1.123 147 HG23 THR 67 HG23 THR 67 46.424 -10.529 -0.460 148 H GLU 68 HN GLU 68 50.045 -6.960 -1.011 149 HA GLU 68 HA GLU 68 52.699 -8.167 -1.039 150 HB2 GLU 68 HB2 GLU 68 51.425 -5.939 -2.574 151 HB3 GLU 68 HB1 GLU 68 53.176 -6.011 -2.438 152 HG2 GLU 68 HG2 GLU 68 53.082 -8.326 -3.355 153 HG3 GLU 68 HG1 GLU 68 51.360 -8.083 -3.641 154 H LYS 69 HN LYS 69 51.521 -7.176 1.417 155 HA LYS 69 HA LYS 69 52.392 -4.638 2.158 156 HB2 LYS 69 HB2 LYS 69 50.912 -6.240 3.472 157 HB3 LYS 69 HB1 LYS 69 52.394 -7.028 3.998 158 HG2 LYS 69 HG2 LYS 69 52.544 -4.178 4.405 159 HG3 LYS 69 HG1 LYS 69 51.118 -4.861 5.189 160 HD2 LYS 69 HD2 LYS 69 53.007 -6.688 5.865 161 HD3 LYS 69 HD1 LYS 69 53.972 -5.212 5.808 162 HE2 LYS 69 HE2 LYS 69 52.758 -4.200 7.503 163 HE3 LYS 69 HE1 LYS 69 51.354 -5.236 7.252 164 HZ1 LYS 69 HZ1 LYS 69 53.793 -5.745 8.777 165 HZ2 LYS 69 HZ2 LYS 69 53.093 -7.062 7.980 166 HZ3 LYS 69 HZ3 LYS 69 52.194 -6.186 9.114 167 H GLN 70 HN GLN 70 54.144 -7.630 1.814 168 HA GLN 70 HA GLN 70 56.451 -6.967 3.277 169 HB2 GLN 70 HB2 GLN 70 55.872 -9.251 2.455 170 HB3 GLN 70 HB1 GLN 70 56.285 -8.727 0.829 171 HG2 GLN 70 HG2 GLN 70 58.579 -8.187 1.702 172 HG3 GLN 70 HG1 GLN 70 58.114 -9.003 3.194 173 HE21 GLN 70 HE21 GLN 70 58.556 -9.432 -0.266 174 HE22 GLN 70 HE22 GLN 70 58.851 -11.133 -0.207 175 H ILE 71 HN ILE 71 55.821 -6.755 -0.207 176 HA ILE 71 HA ILE 71 58.236 -5.482 -0.880 177 HB ILE 71 HB ILE 71 55.609 -5.221 -2.345 178 HG12 ILE 71 HG12 ILE 71 57.126 -7.132 -3.654 179 HG13 ILE 71 HG11 ILE 71 57.389 -7.509 -1.954 180 HG21 ILE 71 HG21 ILE 71 58.477 -4.870 -3.192 181 HG22 ILE 71 HG22 ILE 71 57.199 -3.654 -3.174 182 HG23 ILE 71 HG23 ILE 71 57.129 -4.990 -4.324 183 HD11 ILE 71 HD11 ILE 71 54.978 -7.782 -3.604 184 HD12 ILE 71 HD12 ILE 71 54.719 -7.185 -1.965 185 HD13 ILE 71 HD13 ILE 71 55.530 -8.729 -2.223 186 H PHE 72 HN PHE 72 55.179 -4.265 0.296 187 HA PHE 72 HA PHE 72 55.540 -1.545 -0.355 188 HB2 PHE 72 HB2 PHE 72 53.359 -2.435 0.289 189 HB3 PHE 72 HB1 PHE 72 53.964 -2.806 1.900 190 HD1 PHE 72 HD1 PHE 72 54.150 0.206 -0.299 191 HD2 PHE 72 HD2 PHE 72 53.019 -1.426 3.465 192 HE1 PHE 72 HE1 PHE 72 53.475 2.445 0.464 193 HE2 PHE 72 HE2 PHE 72 52.341 0.810 4.235 194 HZ PHE 72 HZ PHE 72 52.568 2.750 2.734 195 H GLU 73 HN GLU 73 56.509 -3.485 2.417 196 HA GLU 73 HA GLU 73 57.482 -1.285 3.952 197 HB2 GLU 73 HB2 GLU 73 57.907 -4.269 4.134 198 HB3 GLU 73 HB1 GLU 73 58.654 -3.135 5.252 199 HG2 GLU 73 HG2 GLU 73 55.866 -2.568 5.088 200 HG3 GLU 73 HG1 GLU 73 56.088 -4.292 5.383 201 H ASP 74 HN ASP 74 58.806 -3.504 1.600 202 HA ASP 74 HA ASP 74 61.523 -2.812 2.011 203 HB2 ASP 74 HB2 ASP 74 60.129 -4.703 0.484 204 HB3 ASP 74 HB1 ASP 74 60.976 -3.699 -0.689 205 H HIS 75 HN HIS 75 59.050 -1.792 -0.291 206 HA HIS 75 HA HIS 75 60.567 -0.089 -1.870 207 HB2 HIS 75 HB2 HIS 75 58.312 -0.673 -2.500 208 HB3 HIS 75 HB1 HIS 75 57.664 0.094 -1.053 209 HD1 HIS 75 HD1 HIS 75 58.361 0.764 -4.559 210 HD2 HIS 75 HD2 HIS 75 58.106 2.997 -1.058 211 HE1 HIS 75 HE1 HIS 75 58.050 3.174 -5.267 212 H VAL 76 HN VAL 76 58.607 0.740 0.975 213 HA VAL 76 HA VAL 76 59.385 3.429 1.155 214 HB VAL 76 HB VAL 76 58.622 1.560 3.411 215 HG11 VAL 76 HG11 VAL 76 59.128 3.279 4.739 216 HG12 VAL 76 HG12 VAL 76 57.760 4.128 4.020 217 HG13 VAL 76 HG13 VAL 76 59.382 4.356 3.365 218 HG21 VAL 76 HG21 VAL 76 56.450 1.813 2.881 219 HG22 VAL 76 HG22 VAL 76 57.077 2.183 1.274 220 HG23 VAL 76 HG23 VAL 76 56.660 3.490 2.382 221 H PHE 77 HN PHE 77 60.797 0.462 2.363 222 HA PHE 77 HA PHE 77 62.771 1.485 4.044 223 HB2 PHE 77 HB2 PHE 77 62.129 -1.039 2.880 224 HB3 PHE 77 HB1 PHE 77 63.844 -0.748 2.616 225 HD1 PHE 77 HD2 PHE 77 61.224 -0.935 5.219 226 HD2 PHE 77 HD1 PHE 77 65.392 -0.966 4.363 227 HE1 PHE 77 HE2 PHE 77 61.690 -1.624 7.534 228 HE2 PHE 77 HE1 PHE 77 65.867 -1.656 6.676 229 HZ PHE 77 HZ PHE 77 64.014 -1.985 8.266 230 H CYS 78 HN CYS 78 62.560 1.314 0.562 231 HA CYS 78 HA CYS 78 65.284 1.866 0.037 232 HB2 CYS 78 HB2 CYS 78 62.887 2.480 -1.703 233 HB3 CYS 78 HB1 CYS 78 64.562 2.402 -2.240 234 HG CYS 78 HG CYS 78 63.366 0.161 -2.827 235 H HIS 79 HN HIS 79 62.415 3.910 0.265 236 HA HIS 79 HA HIS 79 63.751 6.355 -0.209 237 HB2 HIS 79 HB2 HIS 79 61.228 5.739 1.346 238 HB3 HIS 79 HB1 HIS 79 61.793 7.372 1.011 239 HD1 HIS 79 HD1 HIS 79 61.834 8.051 -1.606 240 HD2 HIS 79 HD2 HIS 79 59.789 4.576 -0.617 241 HE1 HIS 79 HE1 HIS 79 60.340 7.521 -3.578 242 H SER 80 HN SER 80 63.756 4.157 2.401 243 HA SER 80 HA SER 80 64.407 6.039 4.469 244 HB2 SER 80 HB2 SER 80 65.004 3.095 4.586 245 HB3 SER 80 HB1 SER 80 64.593 4.187 5.907 246 HG SER 80 HG SER 80 62.722 3.186 5.546 247 H LEU 81 HN LEU 81 66.141 4.560 1.950 248 HA LEU 81 HA LEU 81 68.691 4.510 3.232 249 HB2 LEU 81 HB2 LEU 81 68.038 4.456 0.294 250 HB3 LEU 81 HB1 LEU 81 69.570 4.010 1.027 251 HG LEU 81 HG LEU 81 67.118 2.596 1.924 252 HD11 LEU 81 HD11 LEU 81 67.197 1.038 0.099 253 HD12 LEU 81 HD12 LEU 81 68.592 1.857 -0.604 254 HD13 LEU 81 HD13 LEU 81 67.022 2.660 -0.571 255 HD21 LEU 81 HD21 LEU 81 68.995 0.725 1.694 256 HD22 LEU 81 HD22 LEU 81 68.883 1.782 3.101 257 HD23 LEU 81 HD23 LEU 81 70.046 2.135 1.822 Start of MODEL 10 1 H1 GLN 49 HT1 GLN 49 41.277 5.324 6.885 2 H2 GLN 49 HT2 GLN 49 39.715 5.831 7.389 3 H3 GLN 49 HT3 GLN 49 40.001 5.426 5.745 4 HA GLN 49 HA GLN 49 39.877 3.670 8.088 5 HB2 GLN 49 HB2 GLN 49 38.342 4.156 5.578 6 HB3 GLN 49 HB1 GLN 49 38.403 2.511 6.196 7 HG2 GLN 49 HG2 GLN 49 37.679 4.720 8.053 8 HG3 GLN 49 HG1 GLN 49 36.484 4.147 6.890 9 HE21 GLN 49 HE21 GLN 49 35.424 2.297 7.283 10 HE22 GLN 49 HE22 GLN 49 35.711 1.267 8.640 11 H MET 50 HN MET 50 39.780 1.283 6.964 12 HA MET 50 HA MET 50 42.438 0.981 5.760 13 HB2 MET 50 HB2 MET 50 41.427 -0.251 7.938 14 HB3 MET 50 HB1 MET 50 40.956 -1.405 6.699 15 HG2 MET 50 HG2 MET 50 42.984 -2.257 7.188 16 HG3 MET 50 HG1 MET 50 43.490 -1.077 5.980 17 HE1 MET 50 HE1 MET 50 46.424 -0.247 7.597 18 HE2 MET 50 HE2 MET 50 45.631 -1.568 6.741 19 HE3 MET 50 HE3 MET 50 46.073 -1.757 8.437 20 H GLN 51 HN GLN 51 42.737 -0.645 4.090 21 HA GLN 51 HA GLN 51 40.402 -1.552 2.641 22 HB2 GLN 51 HB2 GLN 51 42.106 0.701 1.713 23 HB3 GLN 51 HB1 GLN 51 41.613 -0.482 0.509 24 HG2 GLN 51 HG2 GLN 51 39.237 -0.097 1.444 25 HG3 GLN 51 HG1 GLN 51 39.926 1.373 2.133 26 HE21 GLN 51 HE21 GLN 51 38.957 2.884 0.911 27 HE22 GLN 51 HE22 GLN 51 39.121 3.012 -0.805 28 HA PRO 52 HA PRO 52 43.905 -4.583 2.679 29 HB2 PRO 52 HB2 PRO 52 41.545 -6.297 2.082 30 HB3 PRO 52 HB1 PRO 52 42.869 -6.561 3.222 31 HG2 PRO 52 HG2 PRO 52 40.459 -5.835 4.088 32 HG3 PRO 52 HG1 PRO 52 41.930 -5.184 4.836 33 HD2 PRO 52 HD2 PRO 52 40.040 -3.885 2.921 34 HD3 PRO 52 HD1 PRO 52 40.916 -3.182 4.297 35 H LEU 53 HN LEU 53 43.935 -6.626 1.000 36 HA LEU 53 HA LEU 53 44.308 -7.255 -1.152 37 HB2 LEU 53 HB2 LEU 53 41.718 -6.333 -1.081 38 HB3 LEU 53 HB1 LEU 53 42.411 -5.407 -2.399 39 HG LEU 53 HG LEU 53 43.277 -7.923 -3.005 40 HD11 LEU 53 HD11 LEU 53 40.574 -8.164 -1.702 41 HD12 LEU 53 HD12 LEU 53 42.056 -9.019 -1.271 42 HD13 LEU 53 HD13 LEU 53 41.252 -9.363 -2.802 43 HD21 LEU 53 HD21 LEU 53 40.861 -6.354 -3.833 44 HD22 LEU 53 HD22 LEU 53 41.229 -7.919 -4.559 45 HD23 LEU 53 HD23 LEU 53 42.382 -6.592 -4.694 46 H CYS 54 HN CYS 54 45.625 -4.845 0.025 47 HA CYS 54 HA CYS 54 47.258 -4.125 -2.094 48 HB2 CYS 54 HB2 CYS 54 46.490 -1.717 -2.398 49 HB3 CYS 54 HB1 CYS 54 45.495 -2.952 -3.162 50 HG CYS 54 HG CYS 54 43.719 -2.601 -1.295 51 H PHE 55 HN PHE 55 48.225 -1.729 -1.555 52 HA PHE 55 HA PHE 55 48.348 -1.116 1.237 53 HB2 PHE 55 HB2 PHE 55 50.492 -2.749 -0.051 54 HB3 PHE 55 HB1 PHE 55 50.963 -1.527 1.124 55 HD1 PHE 55 HD1 PHE 55 48.937 -1.638 3.149 56 HD2 PHE 55 HD2 PHE 55 50.681 -4.819 0.924 57 HE1 PHE 55 HE1 PHE 55 48.419 -3.196 4.980 58 HE2 PHE 55 HE2 PHE 55 50.166 -6.384 2.752 59 HZ PHE 55 HZ PHE 55 49.033 -5.574 4.783 60 H ASN 56 HN ASN 56 48.532 1.023 1.281 61 HA ASN 56 HA ASN 56 49.889 2.355 -0.957 62 HB2 ASN 56 HB2 ASN 56 47.990 3.594 1.039 63 HB3 ASN 56 HB1 ASN 56 48.577 4.311 -0.459 64 HD21 ASN 56 HD21 ASN 56 45.901 4.161 0.077 65 HD22 ASN 56 HD22 ASN 56 45.156 3.030 -0.995 66 H CYS 57 HN CYS 57 51.640 3.598 -0.653 67 HA CYS 57 HA CYS 57 52.995 3.476 1.861 68 HB2 CYS 57 HB2 CYS 57 54.344 3.388 -0.107 69 HB3 CYS 57 HB1 CYS 57 53.625 4.860 -0.746 70 HA PRO 58 HA PRO 58 50.920 7.182 3.353 71 HB2 PRO 58 HB2 PRO 58 51.969 7.134 5.847 72 HB3 PRO 58 HB1 PRO 58 50.648 6.072 5.346 73 HG2 PRO 58 HG2 PRO 58 53.577 5.483 5.554 74 HG3 PRO 58 HG1 PRO 58 52.199 4.493 6.068 75 HD2 PRO 58 HD2 PRO 58 53.532 4.050 3.753 76 HD3 PRO 58 HD1 PRO 58 51.798 3.718 3.936 77 H ILE 59 HN ILE 59 54.300 6.613 2.988 78 HA ILE 59 HA ILE 59 55.178 9.131 4.022 79 HB ILE 59 HB ILE 59 56.642 7.300 2.120 80 HG12 ILE 59 HG12 ILE 59 57.511 7.225 4.885 81 HG13 ILE 59 HG11 ILE 59 55.814 6.778 4.752 82 HG21 ILE 59 HG21 ILE 59 57.427 9.675 3.758 83 HG22 ILE 59 HG22 ILE 59 57.814 9.294 2.081 84 HG23 ILE 59 HG23 ILE 59 58.612 8.423 3.389 85 HD11 ILE 59 HD11 ILE 59 58.102 5.209 4.223 86 HD12 ILE 59 HD12 ILE 59 57.239 5.437 2.703 87 HD13 ILE 59 HD13 ILE 59 56.403 4.757 4.097 88 H CYS 60 HN CYS 60 54.871 7.861 0.673 89 HA CYS 60 HA CYS 60 54.800 10.677 -0.208 90 HB2 CYS 60 HB2 CYS 60 55.726 10.031 -2.307 91 HB3 CYS 60 HB1 CYS 60 56.711 9.284 -1.054 92 H ASP 61 HN ASP 61 52.779 8.163 0.375 93 HA ASP 61 HA ASP 61 50.558 7.897 -0.074 94 HB2 ASP 61 HB2 ASP 61 50.842 10.495 -0.666 95 HB3 ASP 61 HB1 ASP 61 50.497 9.886 -2.283 96 H LYS 62 HN LYS 62 52.536 6.341 -1.290 97 HA LYS 62 HA LYS 62 51.793 6.000 -4.068 98 HB2 LYS 62 HB2 LYS 62 54.083 5.445 -2.575 99 HB3 LYS 62 HB1 LYS 62 53.417 3.864 -2.958 100 HG2 LYS 62 HG2 LYS 62 53.276 5.333 -5.333 101 HG3 LYS 62 HG1 LYS 62 54.855 5.696 -4.634 102 HD2 LYS 62 HD2 LYS 62 55.413 3.367 -4.525 103 HD3 LYS 62 HD1 LYS 62 53.776 2.905 -4.997 104 HE2 LYS 62 HE2 LYS 62 54.684 2.755 -7.053 105 HE3 LYS 62 HE1 LYS 62 54.448 4.502 -7.066 106 HZ1 LYS 62 HZ1 LYS 62 56.711 3.715 -7.732 107 HZ2 LYS 62 HZ2 LYS 62 56.951 3.217 -6.134 108 HZ3 LYS 62 HZ3 LYS 62 56.696 4.852 -6.479 109 H ILE 63 HN ILE 63 51.459 3.596 -4.761 110 HA ILE 63 HA ILE 63 49.644 2.255 -2.877 111 HB ILE 63 HB ILE 63 49.068 2.575 -5.824 112 HG12 ILE 63 HG12 ILE 63 47.097 3.739 -4.064 113 HG13 ILE 63 HG11 ILE 63 48.679 4.445 -3.748 114 HG21 ILE 63 HG21 ILE 63 47.750 1.108 -3.585 115 HG22 ILE 63 HG22 ILE 63 48.033 0.604 -5.251 116 HG23 ILE 63 HG23 ILE 63 46.759 1.769 -4.886 117 HD11 ILE 63 HD11 ILE 63 48.527 4.436 -6.494 118 HD12 ILE 63 HD12 ILE 63 48.234 5.814 -5.434 119 HD13 ILE 63 HD13 ILE 63 46.883 4.825 -5.988 120 H PHE 64 HN PHE 64 49.359 -0.013 -3.245 121 HA PHE 64 HA PHE 64 51.035 -1.352 -5.179 122 HB2 PHE 64 HB2 PHE 64 51.605 -1.490 -2.218 123 HB3 PHE 64 HB1 PHE 64 52.155 -2.720 -3.350 124 HD1 PHE 64 HD1 PHE 64 52.514 0.773 -2.298 125 HD2 PHE 64 HD2 PHE 64 53.969 -2.305 -4.849 126 HE1 PHE 64 HE1 PHE 64 54.515 2.122 -2.778 127 HE2 PHE 64 HE2 PHE 64 55.972 -0.962 -5.334 128 HZ PHE 64 HZ PHE 64 56.248 1.253 -4.297 129 HA PRO 65 HA PRO 65 47.684 -4.222 -4.766 130 HB2 PRO 65 HB2 PRO 65 48.781 -6.393 -5.969 131 HB3 PRO 65 HB1 PRO 65 48.221 -4.979 -6.870 132 HG2 PRO 65 HG2 PRO 65 50.996 -5.733 -6.062 133 HG3 PRO 65 HG1 PRO 65 50.423 -5.046 -7.591 134 HD2 PRO 65 HD2 PRO 65 51.627 -3.563 -5.651 135 HD3 PRO 65 HD1 PRO 65 50.418 -2.900 -6.769 136 H ALA 66 HN ALA 66 47.075 -6.128 -3.633 137 HA ALA 66 HA ALA 66 48.193 -6.503 -1.156 138 HB1 ALA 66 HB1 ALA 66 46.925 -8.902 -2.299 139 HB2 ALA 66 HB2 ALA 66 45.975 -7.418 -2.374 140 HB3 ALA 66 HB3 ALA 66 46.559 -8.015 -0.820 141 H THR 67 HN THR 67 48.989 -8.172 -4.153 142 HA THR 67 HA THR 67 50.713 -10.086 -2.879 143 HB THR 67 HB THR 67 51.419 -10.326 -5.434 144 HG1 THR 67 HG1 THR 67 50.091 -9.413 -6.799 145 HG21 THR 67 HG21 THR 67 49.939 -11.845 -3.896 146 HG22 THR 67 HG22 THR 67 49.971 -12.070 -5.645 147 HG23 THR 67 HG23 THR 67 48.634 -11.199 -4.892 148 H GLU 68 HN GLU 68 51.109 -6.895 -3.164 149 HA GLU 68 HA GLU 68 53.927 -7.056 -3.907 150 HB2 GLU 68 HB2 GLU 68 51.862 -5.132 -4.446 151 HB3 GLU 68 HB1 GLU 68 53.189 -4.356 -3.596 152 HG2 GLU 68 HG2 GLU 68 53.480 -4.187 -5.993 153 HG3 GLU 68 HG1 GLU 68 54.755 -5.166 -5.271 154 H LYS 69 HN LYS 69 53.005 -7.950 -1.352 155 HA LYS 69 HA LYS 69 53.329 -6.003 0.657 156 HB2 LYS 69 HB2 LYS 69 52.264 -8.153 1.100 157 HB3 LYS 69 HB1 LYS 69 53.771 -8.993 0.766 158 HG2 LYS 69 HG2 LYS 69 53.262 -8.771 3.176 159 HG3 LYS 69 HG1 LYS 69 54.803 -8.050 2.709 160 HD2 LYS 69 HD2 LYS 69 53.921 -5.858 2.836 161 HD3 LYS 69 HD1 LYS 69 52.262 -6.452 2.928 162 HE2 LYS 69 HE2 LYS 69 52.885 -5.768 5.119 163 HE3 LYS 69 HE1 LYS 69 52.869 -7.532 5.108 164 HZ1 LYS 69 HZ1 LYS 69 55.407 -7.053 4.471 165 HZ2 LYS 69 HZ2 LYS 69 54.871 -7.256 6.063 166 HZ3 LYS 69 HZ3 LYS 69 55.095 -5.700 5.438 167 H GLN 70 HN GLN 70 55.611 -7.966 -1.126 168 HA GLN 70 HA GLN 70 57.826 -7.344 0.601 169 HB2 GLN 70 HB2 GLN 70 59.195 -8.561 -0.931 170 HB3 GLN 70 HB1 GLN 70 57.682 -9.437 -0.764 171 HG2 GLN 70 HG2 GLN 70 57.936 -7.507 -3.004 172 HG3 GLN 70 HG1 GLN 70 58.814 -9.030 -3.106 173 HE21 GLN 70 HE21 GLN 70 55.781 -7.477 -3.299 174 HE22 GLN 70 HE22 GLN 70 54.832 -8.869 -3.683 175 H ILE 71 HN ILE 71 56.465 -6.033 -2.343 176 HA ILE 71 HA ILE 71 58.688 -4.255 -2.816 177 HB ILE 71 HB ILE 71 55.932 -4.169 -4.050 178 HG12 ILE 71 HG12 ILE 71 58.446 -5.606 -4.929 179 HG13 ILE 71 HG11 ILE 71 56.909 -6.340 -4.486 180 HG21 ILE 71 HG21 ILE 71 56.805 -2.736 -5.669 181 HG22 ILE 71 HG22 ILE 71 58.473 -3.140 -5.264 182 HG23 ILE 71 HG23 ILE 71 57.515 -2.147 -4.166 183 HD11 ILE 71 HD11 ILE 71 56.434 -6.353 -6.648 184 HD12 ILE 71 HD12 ILE 71 57.800 -5.305 -7.027 185 HD13 ILE 71 HD13 ILE 71 56.258 -4.602 -6.537 186 H PHE 72 HN PHE 72 55.583 -4.181 -1.233 187 HA PHE 72 HA PHE 72 55.433 -1.351 -0.925 188 HB2 PHE 72 HB2 PHE 72 53.407 -2.674 -0.779 189 HB3 PHE 72 HB1 PHE 72 54.069 -3.611 0.557 190 HD1 PHE 72 HD1 PHE 72 53.571 0.001 -0.260 191 HD2 PHE 72 HD2 PHE 72 53.191 -3.121 2.608 192 HE1 PHE 72 HE1 PHE 72 52.590 1.594 1.339 193 HE2 PHE 72 HE2 PHE 72 52.207 -1.533 4.210 194 HZ PHE 72 HZ PHE 72 51.905 0.827 3.576 195 H GLU 73 HN GLU 73 56.722 -4.021 0.955 196 HA GLU 73 HA GLU 73 57.357 -2.441 3.254 197 HB2 GLU 73 HB2 GLU 73 57.595 -5.228 2.434 198 HB3 GLU 73 HB1 GLU 73 59.026 -4.672 3.292 199 HG2 GLU 73 HG2 GLU 73 56.437 -3.965 4.505 200 HG3 GLU 73 HG1 GLU 73 56.855 -5.678 4.499 201 H ASP 74 HN ASP 74 58.976 -3.472 0.324 202 HA ASP 74 HA ASP 74 61.562 -2.560 1.073 203 HB2 ASP 74 HB2 ASP 74 60.992 -4.237 -0.770 204 HB3 ASP 74 HB1 ASP 74 60.559 -2.843 -1.757 205 H HIS 75 HN HIS 75 58.934 -1.197 -0.852 206 HA HIS 75 HA HIS 75 60.141 1.160 -1.678 207 HB2 HIS 75 HB2 HIS 75 57.986 0.478 -2.552 208 HB3 HIS 75 HB1 HIS 75 57.253 0.632 -0.959 209 HD1 HIS 75 HD1 HIS 75 57.743 2.486 -4.034 210 HD2 HIS 75 HD2 HIS 75 57.324 3.425 -0.002 211 HE1 HIS 75 HE1 HIS 75 57.113 4.935 -3.928 212 H VAL 76 HN VAL 76 58.117 0.642 1.192 213 HA VAL 76 HA VAL 76 58.447 3.183 2.325 214 HB VAL 76 HB VAL 76 58.045 0.548 3.760 215 HG11 VAL 76 HG11 VAL 76 56.786 2.572 5.187 216 HG12 VAL 76 HG12 VAL 76 58.339 3.263 4.721 217 HG13 VAL 76 HG13 VAL 76 58.282 1.748 5.622 218 HG21 VAL 76 HG21 VAL 76 55.676 2.113 3.628 219 HG22 VAL 76 HG22 VAL 76 55.986 0.523 2.931 220 HG23 VAL 76 HG23 VAL 76 56.335 1.977 1.998 221 H PHE 77 HN PHE 77 60.373 0.263 2.461 222 HA PHE 77 HA PHE 77 62.165 0.930 4.488 223 HB2 PHE 77 HB2 PHE 77 61.906 -1.138 2.630 224 HB3 PHE 77 HB1 PHE 77 63.474 -0.424 2.269 225 HD1 PHE 77 HD2 PHE 77 61.479 -2.199 4.770 226 HD2 PHE 77 HD1 PHE 77 65.292 -0.553 3.841 227 HE1 PHE 77 HE2 PHE 77 62.467 -3.431 6.657 228 HE2 PHE 77 HE1 PHE 77 66.287 -1.784 5.725 229 HZ PHE 77 HZ PHE 77 64.873 -3.224 7.136 230 H CYS 78 HN CYS 78 61.974 1.931 1.140 231 HA CYS 78 HA CYS 78 64.527 3.117 0.987 232 HB2 CYS 78 HB2 CYS 78 62.600 2.633 -0.845 233 HB3 CYS 78 HB1 CYS 78 62.337 4.353 -0.578 234 HG CYS 78 HG CYS 78 64.832 4.742 -1.346 235 H HIS 79 HN HIS 79 61.341 4.437 1.756 236 HA HIS 79 HA HIS 79 62.216 7.077 2.252 237 HB2 HIS 79 HB2 HIS 79 59.864 5.521 3.346 238 HB3 HIS 79 HB1 HIS 79 60.130 7.229 3.669 239 HD1 HIS 79 HD1 HIS 79 60.015 8.832 1.488 240 HD2 HIS 79 HD2 HIS 79 58.611 4.951 1.033 241 HE1 HIS 79 HE1 HIS 79 58.608 8.829 -0.615 242 H SER 80 HN SER 80 62.636 4.128 3.911 243 HA SER 80 HA SER 80 62.971 5.215 6.544 244 HB2 SER 80 HB2 SER 80 62.453 2.735 5.694 245 HB3 SER 80 HB1 SER 80 64.208 2.610 5.822 246 HG SER 80 HG SER 80 62.676 2.208 7.756 247 H LEU 81 HN LEU 81 64.913 5.064 3.760 248 HA LEU 81 HA LEU 81 67.444 4.980 5.085 249 HB2 LEU 81 HB2 LEU 81 66.789 5.865 2.283 250 HB3 LEU 81 HB1 LEU 81 68.382 5.453 2.897 251 HG LEU 81 HG LEU 81 66.227 3.420 3.102 252 HD11 LEU 81 HD11 LEU 81 66.553 2.654 0.856 253 HD12 LEU 81 HD12 LEU 81 67.788 3.878 0.561 254 HD13 LEU 81 HD13 LEU 81 66.106 4.358 0.786 255 HD21 LEU 81 HD21 LEU 81 68.793 3.400 3.846 256 HD22 LEU 81 HD22 LEU 81 68.978 2.824 2.189 257 HD23 LEU 81 HD23 LEU 81 67.940 1.952 3.316 Start of MODEL 11 1 H1 GLN 49 HT1 GLN 49 38.380 2.400 4.344 2 H2 GLN 49 HT2 GLN 49 37.374 3.715 4.795 3 H3 GLN 49 HT3 GLN 49 37.710 2.463 5.919 4 HA GLN 49 HA GLN 49 39.543 4.491 4.844 5 HB2 GLN 49 HB2 GLN 49 39.745 5.087 7.213 6 HB3 GLN 49 HB1 GLN 49 38.069 5.168 6.685 7 HG2 GLN 49 HG2 GLN 49 38.617 2.553 7.696 8 HG3 GLN 49 HG1 GLN 49 39.143 3.760 8.869 9 HE21 GLN 49 HE21 GLN 49 36.479 3.944 6.566 10 HE22 GLN 49 HE22 GLN 49 35.227 4.082 7.749 11 H MET 50 HN MET 50 40.426 2.258 3.927 12 HA MET 50 HA MET 50 42.851 1.761 5.241 13 HB2 MET 50 HB2 MET 50 40.930 0.459 6.587 14 HB3 MET 50 HB1 MET 50 41.270 -0.749 5.354 15 HG2 MET 50 HG2 MET 50 43.628 0.407 6.672 16 HG3 MET 50 HG1 MET 50 42.575 -0.564 7.701 17 HE1 MET 50 HE1 MET 50 45.906 -2.270 6.507 18 HE2 MET 50 HE2 MET 50 44.843 -2.929 7.752 19 HE3 MET 50 HE3 MET 50 45.154 -1.195 7.687 20 H GLN 51 HN GLN 51 40.380 0.462 3.093 21 HA GLN 51 HA GLN 51 40.481 -0.457 1.015 22 HB2 GLN 51 HB2 GLN 51 43.269 0.684 0.836 23 HB3 GLN 51 HB1 GLN 51 42.172 0.318 -0.488 24 HG2 GLN 51 HG2 GLN 51 41.182 2.302 -0.348 25 HG3 GLN 51 HG1 GLN 51 41.026 2.194 1.405 26 HE21 GLN 51 HE21 GLN 51 42.535 3.154 2.701 27 HE22 GLN 51 HE22 GLN 51 43.779 4.195 2.104 28 HA PRO 52 HA PRO 52 42.945 -3.988 2.916 29 HB2 PRO 52 HB2 PRO 52 40.496 -5.378 1.965 30 HB3 PRO 52 HB1 PRO 52 41.366 -5.546 3.494 31 HG2 PRO 52 HG2 PRO 52 39.040 -4.249 3.383 32 HG3 PRO 52 HG1 PRO 52 40.357 -3.679 4.427 33 HD2 PRO 52 HD2 PRO 52 39.434 -2.620 1.789 34 HD3 PRO 52 HD1 PRO 52 40.011 -1.740 3.219 35 H LEU 53 HN LEU 53 43.474 -6.101 1.814 36 HA LEU 53 HA LEU 53 44.372 -7.211 0.044 37 HB2 LEU 53 HB2 LEU 53 41.771 -6.844 -0.568 38 HB3 LEU 53 HB1 LEU 53 42.512 -5.998 -1.912 39 HG LEU 53 HG LEU 53 43.563 -8.706 -1.327 40 HD11 LEU 53 HD11 LEU 53 41.547 -9.417 -2.931 41 HD12 LEU 53 HD12 LEU 53 40.738 -8.156 -1.999 42 HD13 LEU 53 HD13 LEU 53 41.464 -9.536 -1.173 43 HD21 LEU 53 HD21 LEU 53 43.537 -8.801 -3.803 44 HD22 LEU 53 HD22 LEU 53 44.464 -7.442 -3.167 45 HD23 LEU 53 HD23 LEU 53 42.851 -7.177 -3.826 46 H CYS 54 HN CYS 54 45.393 -4.602 0.701 47 HA CYS 54 HA CYS 54 46.997 -4.160 -1.622 48 HB2 CYS 54 HB2 CYS 54 44.713 -2.355 -1.047 49 HB3 CYS 54 HB1 CYS 54 46.239 -1.577 -1.451 50 HG CYS 54 HG CYS 54 45.559 -1.942 -3.771 51 H PHE 55 HN PHE 55 48.187 -1.837 -1.170 52 HA PHE 55 HA PHE 55 48.734 -1.471 1.653 53 HB2 PHE 55 HB2 PHE 55 50.670 -2.741 -0.248 54 HB3 PHE 55 HB1 PHE 55 51.278 -1.702 1.037 55 HD1 PHE 55 HD1 PHE 55 49.967 -2.257 3.390 56 HD2 PHE 55 HD2 PHE 55 50.783 -4.974 0.217 57 HE1 PHE 55 HE1 PHE 55 49.839 -4.137 4.972 58 HE2 PHE 55 HE2 PHE 55 50.657 -6.859 1.794 59 HZ PHE 55 HZ PHE 55 50.183 -6.441 4.175 60 H ASN 56 HN ASN 56 48.875 0.646 1.974 61 HA ASN 56 HA ASN 56 49.712 2.350 -0.273 62 HB2 ASN 56 HB2 ASN 56 48.149 3.197 2.169 63 HB3 ASN 56 HB1 ASN 56 48.402 4.117 0.688 64 HD21 ASN 56 HD21 ASN 56 46.472 4.311 -0.206 65 HD22 ASN 56 HD22 ASN 56 45.374 3.016 -0.525 66 H CYS 57 HN CYS 57 51.420 3.671 -0.102 67 HA CYS 57 HA CYS 57 53.179 3.375 2.151 68 HB2 CYS 57 HB2 CYS 57 54.128 3.509 -0.078 69 HB3 CYS 57 HB1 CYS 57 53.369 5.072 -0.345 70 HA PRO 58 HA PRO 58 51.244 6.882 4.210 71 HB2 PRO 58 HB2 PRO 58 52.602 6.680 6.535 72 HB3 PRO 58 HB1 PRO 58 51.274 5.590 6.114 73 HG2 PRO 58 HG2 PRO 58 54.229 5.146 5.902 74 HG3 PRO 58 HG1 PRO 58 52.973 4.046 6.500 75 HD2 PRO 58 HD2 PRO 58 54.019 3.873 3.998 76 HD3 PRO 58 HD1 PRO 58 52.349 3.406 4.379 77 H ILE 59 HN ILE 59 54.404 6.585 3.070 78 HA ILE 59 HA ILE 59 55.319 9.087 4.241 79 HB ILE 59 HB ILE 59 56.762 7.333 2.256 80 HG12 ILE 59 HG12 ILE 59 57.856 7.197 4.897 81 HG13 ILE 59 HG11 ILE 59 56.136 6.833 4.990 82 HG21 ILE 59 HG21 ILE 59 57.504 9.731 3.872 83 HG22 ILE 59 HG22 ILE 59 57.850 9.365 2.183 84 HG23 ILE 59 HG23 ILE 59 58.734 8.536 3.465 85 HD11 ILE 59 HD11 ILE 59 57.308 5.443 2.780 86 HD12 ILE 59 HD12 ILE 59 56.482 4.801 4.199 87 HD13 ILE 59 HD13 ILE 59 58.216 5.120 4.257 88 H CYS 60 HN CYS 60 54.878 7.779 0.919 89 HA CYS 60 HA CYS 60 54.572 10.580 0.048 90 HB2 CYS 60 HB2 CYS 60 55.533 10.064 -2.050 91 HB3 CYS 60 HB1 CYS 60 56.578 9.328 -0.842 92 H ASP 61 HN ASP 61 52.974 7.617 0.384 93 HA ASP 61 HA ASP 61 50.674 7.343 0.160 94 HB2 ASP 61 HB2 ASP 61 50.623 9.836 -0.582 95 HB3 ASP 61 HB1 ASP 61 50.562 9.171 -2.211 96 H LYS 62 HN LYS 62 53.151 6.439 -1.664 97 HA LYS 62 HA LYS 62 51.946 5.502 -4.048 98 HB2 LYS 62 HB2 LYS 62 54.522 5.450 -2.934 99 HB3 LYS 62 HB1 LYS 62 54.082 3.767 -3.163 100 HG2 LYS 62 HG2 LYS 62 53.680 5.732 -5.375 101 HG3 LYS 62 HG1 LYS 62 55.277 5.048 -5.066 102 HD2 LYS 62 HD2 LYS 62 54.174 2.771 -5.167 103 HD3 LYS 62 HD1 LYS 62 52.743 3.594 -5.791 104 HE2 LYS 62 HE2 LYS 62 55.272 4.270 -7.132 105 HE3 LYS 62 HE1 LYS 62 54.736 2.604 -7.335 106 HZ1 LYS 62 HZ1 LYS 62 52.979 3.226 -8.575 107 HZ2 LYS 62 HZ2 LYS 62 53.921 4.596 -8.884 108 HZ3 LYS 62 HZ3 LYS 62 52.709 4.653 -7.706 109 H ILE 63 HN ILE 63 50.523 3.908 -4.338 110 HA ILE 63 HA ILE 63 50.189 1.947 -2.168 111 HB ILE 63 HB ILE 63 48.143 2.652 -4.266 112 HG12 ILE 63 HG12 ILE 63 48.168 3.620 -1.407 113 HG13 ILE 63 HG11 ILE 63 48.828 4.572 -2.732 114 HG21 ILE 63 HG21 ILE 63 48.076 1.051 -1.724 115 HG22 ILE 63 HG22 ILE 63 47.668 0.533 -3.359 116 HG23 ILE 63 HG23 ILE 63 46.614 1.658 -2.502 117 HD11 ILE 63 HD11 ILE 63 46.002 3.562 -2.703 118 HD12 ILE 63 HD12 ILE 63 46.712 4.792 -3.749 119 HD13 ILE 63 HD13 ILE 63 46.479 5.122 -2.033 120 H PHE 64 HN PHE 64 49.830 -0.227 -2.653 121 HA PHE 64 HA PHE 64 50.213 -1.121 -5.401 122 HB2 PHE 64 HB2 PHE 64 51.774 -2.656 -3.408 123 HB3 PHE 64 HB1 PHE 64 52.151 -2.278 -5.083 124 HD1 PHE 64 HD1 PHE 64 51.894 -0.608 -1.759 125 HD2 PHE 64 HD2 PHE 64 53.864 -0.822 -5.524 126 HE1 PHE 64 HE1 PHE 64 53.514 1.084 -1.003 127 HE2 PHE 64 HE2 PHE 64 55.487 0.869 -4.777 128 HZ PHE 64 HZ PHE 64 55.315 1.820 -2.512 129 HA PRO 65 HA PRO 65 47.285 -4.235 -4.319 130 HB2 PRO 65 HB2 PRO 65 48.254 -6.498 -5.483 131 HB3 PRO 65 HB1 PRO 65 47.514 -5.180 -6.399 132 HG2 PRO 65 HG2 PRO 65 50.410 -5.787 -5.957 133 HG3 PRO 65 HG1 PRO 65 49.587 -5.281 -7.443 134 HD2 PRO 65 HD2 PRO 65 50.998 -3.557 -5.916 135 HD3 PRO 65 HD1 PRO 65 49.553 -3.059 -6.818 136 H ALA 66 HN ALA 66 46.882 -6.131 -3.039 137 HA ALA 66 HA ALA 66 48.384 -6.302 -0.710 138 HB1 ALA 66 HB1 ALA 66 46.157 -7.801 -1.901 139 HB2 ALA 66 HB2 ALA 66 46.358 -7.167 -0.267 140 HB3 ALA 66 HB3 ALA 66 47.113 -8.696 -0.719 141 H THR 67 HN THR 67 48.704 -8.046 -3.718 142 HA THR 67 HA THR 67 50.475 -10.047 -2.662 143 HB THR 67 HB THR 67 50.890 -10.263 -5.287 144 HG1 THR 67 HG1 THR 67 49.118 -9.542 -6.435 145 HG21 THR 67 HG21 THR 67 49.335 -11.617 -3.505 146 HG22 THR 67 HG22 THR 67 49.569 -12.051 -5.198 147 HG23 THR 67 HG23 THR 67 48.161 -11.105 -4.717 148 H GLU 68 HN GLU 68 50.874 -6.815 -3.296 149 HA GLU 68 HA GLU 68 53.634 -7.092 -4.193 150 HB2 GLU 68 HB2 GLU 68 51.579 -5.035 -4.427 151 HB3 GLU 68 HB1 GLU 68 53.135 -4.383 -3.934 152 HG2 GLU 68 HG2 GLU 68 53.889 -6.018 -5.951 153 HG3 GLU 68 HG1 GLU 68 52.288 -5.524 -6.499 154 H LYS 69 HN LYS 69 52.757 -7.818 -1.484 155 HA LYS 69 HA LYS 69 53.398 -5.895 0.429 156 HB2 LYS 69 HB2 LYS 69 53.862 -7.832 1.927 157 HB3 LYS 69 HB1 LYS 69 52.326 -7.947 1.079 158 HG2 LYS 69 HG2 LYS 69 53.059 -10.060 0.744 159 HG3 LYS 69 HG1 LYS 69 53.828 -9.297 -0.649 160 HD2 LYS 69 HD2 LYS 69 55.657 -10.344 0.190 161 HD3 LYS 69 HD1 LYS 69 55.740 -8.882 1.173 162 HE2 LYS 69 HE2 LYS 69 54.848 -9.951 3.048 163 HE3 LYS 69 HE1 LYS 69 54.204 -11.286 2.093 164 HZ1 LYS 69 HZ1 LYS 69 56.377 -12.144 1.767 165 HZ2 LYS 69 HZ2 LYS 69 56.224 -11.823 3.422 166 HZ3 LYS 69 HZ3 LYS 69 57.105 -10.770 2.435 167 H GLN 70 HN GLN 70 55.441 -7.936 -1.534 168 HA GLN 70 HA GLN 70 57.841 -7.602 -0.081 169 HB2 GLN 70 HB2 GLN 70 57.304 -9.296 -1.940 170 HB3 GLN 70 HB1 GLN 70 57.709 -8.002 -3.059 171 HG2 GLN 70 HG2 GLN 70 59.772 -8.840 -2.940 172 HG3 GLN 70 HG1 GLN 70 59.863 -7.960 -1.416 173 HE21 GLN 70 HE21 GLN 70 60.698 -9.123 0.147 174 HE22 GLN 70 HE22 GLN 70 60.497 -10.823 0.380 175 H ILE 71 HN ILE 71 56.558 -5.933 -2.925 176 HA ILE 71 HA ILE 71 58.694 -4.067 -3.106 177 HB ILE 71 HB ILE 71 55.894 -3.805 -4.211 178 HG12 ILE 71 HG12 ILE 71 57.386 -4.502 -6.335 179 HG13 ILE 71 HG11 ILE 71 58.280 -5.349 -5.077 180 HG21 ILE 71 HG21 ILE 71 56.865 -2.248 -5.794 181 HG22 ILE 71 HG22 ILE 71 58.460 -2.476 -5.076 182 HG23 ILE 71 HG23 ILE 71 57.176 -1.703 -4.145 183 HD11 ILE 71 HD11 ILE 71 55.863 -6.095 -6.369 184 HD12 ILE 71 HD12 ILE 71 55.548 -5.880 -4.648 185 HD13 ILE 71 HD13 ILE 71 56.811 -6.990 -5.181 186 H PHE 72 HN PHE 72 55.654 -4.138 -1.386 187 HA PHE 72 HA PHE 72 55.488 -1.386 -0.767 188 HB2 PHE 72 HB2 PHE 72 53.543 -2.806 -0.537 189 HB3 PHE 72 HB1 PHE 72 54.366 -3.808 0.652 190 HD1 PHE 72 HD1 PHE 72 54.228 -0.103 0.408 191 HD2 PHE 72 HD2 PHE 72 53.089 -3.585 2.575 192 HE1 PHE 72 HE1 PHE 72 53.338 1.314 2.212 193 HE2 PHE 72 HE2 PHE 72 52.196 -2.174 4.381 194 HZ PHE 72 HZ PHE 72 52.320 0.279 4.201 195 H GLU 73 HN GLU 73 57.083 -4.102 0.797 196 HA GLU 73 HA GLU 73 57.816 -2.635 3.142 197 HB2 GLU 73 HB2 GLU 73 58.872 -5.239 2.022 198 HB3 GLU 73 HB1 GLU 73 59.278 -4.591 3.606 199 HG2 GLU 73 HG2 GLU 73 56.442 -4.671 3.340 200 HG3 GLU 73 HG1 GLU 73 57.107 -6.240 2.891 201 H ASP 74 HN ASP 74 59.322 -3.465 0.082 202 HA ASP 74 HA ASP 74 61.882 -2.437 0.743 203 HB2 ASP 74 HB2 ASP 74 60.548 -3.484 -1.669 204 HB3 ASP 74 HB1 ASP 74 61.821 -2.306 -1.977 205 H HIS 75 HN HIS 75 59.044 -1.138 -0.883 206 HA HIS 75 HA HIS 75 60.111 1.290 -1.740 207 HB2 HIS 75 HB2 HIS 75 57.938 0.489 -2.502 208 HB3 HIS 75 HB1 HIS 75 57.290 0.639 -0.871 209 HD1 HIS 75 HD1 HIS 75 57.427 2.440 -3.976 210 HD2 HIS 75 HD2 HIS 75 57.466 3.467 0.055 211 HE1 HIS 75 HE1 HIS 75 56.797 4.890 -3.852 212 H VAL 76 HN VAL 76 58.271 0.588 1.217 213 HA VAL 76 HA VAL 76 58.562 3.122 2.392 214 HB VAL 76 HB VAL 76 58.301 0.459 3.805 215 HG11 VAL 76 HG11 VAL 76 56.988 2.363 5.299 216 HG12 VAL 76 HG12 VAL 76 58.432 3.212 4.746 217 HG13 VAL 76 HG13 VAL 76 58.586 1.700 5.641 218 HG21 VAL 76 HG21 VAL 76 56.064 0.468 3.436 219 HG22 VAL 76 HG22 VAL 76 56.549 1.365 1.998 220 HG23 VAL 76 HG23 VAL 76 55.962 2.229 3.420 221 H PHE 77 HN PHE 77 60.577 0.260 2.385 222 HA PHE 77 HA PHE 77 62.413 0.927 4.371 223 HB2 PHE 77 HB2 PHE 77 62.253 -1.266 3.106 224 HB3 PHE 77 HB1 PHE 77 63.111 -0.476 1.787 225 HD1 PHE 77 HD2 PHE 77 63.397 -1.281 5.403 226 HD2 PHE 77 HD1 PHE 77 65.429 -0.446 1.758 227 HE1 PHE 77 HE2 PHE 77 65.540 -1.839 6.475 228 HE2 PHE 77 HE1 PHE 77 67.576 -1.003 2.823 229 HZ PHE 77 HZ PHE 77 67.633 -1.700 5.185 230 H CYS 78 HN CYS 78 62.140 1.969 1.031 231 HA CYS 78 HA CYS 78 64.647 3.244 0.875 232 HB2 CYS 78 HB2 CYS 78 62.214 3.138 -0.744 233 HB3 CYS 78 HB1 CYS 78 63.019 4.701 -0.819 234 HG CYS 78 HG CYS 78 64.377 3.612 -2.547 235 H HIS 79 HN HIS 79 61.433 4.447 1.719 236 HA HIS 79 HA HIS 79 62.233 7.110 2.223 237 HB2 HIS 79 HB2 HIS 79 59.951 5.466 3.336 238 HB3 HIS 79 HB1 HIS 79 60.170 7.175 3.692 239 HD1 HIS 79 HD1 HIS 79 59.969 8.818 1.547 240 HD2 HIS 79 HD2 HIS 79 58.671 4.909 1.036 241 HE1 HIS 79 HE1 HIS 79 58.512 8.821 -0.521 242 H SER 80 HN SER 80 62.771 4.159 3.842 243 HA SER 80 HA SER 80 63.131 5.229 6.478 244 HB2 SER 80 HB2 SER 80 62.619 2.766 5.699 245 HB3 SER 80 HB1 SER 80 64.377 2.651 5.623 246 HG SER 80 HG SER 80 64.353 3.450 7.838 247 H LEU 81 HN LEU 81 65.029 5.145 3.654 248 HA LEU 81 HA LEU 81 67.582 5.130 4.939 249 HB2 LEU 81 HB2 LEU 81 66.865 6.008 2.150 250 HB3 LEU 81 HB1 LEU 81 68.476 5.632 2.742 251 HG LEU 81 HG LEU 81 66.373 3.547 2.969 252 HD11 LEU 81 HD11 LEU 81 67.906 3.960 0.410 253 HD12 LEU 81 HD12 LEU 81 66.261 4.554 0.642 254 HD13 LEU 81 HD13 LEU 81 66.595 2.824 0.727 255 HD21 LEU 81 HD21 LEU 81 68.153 2.072 2.967 256 HD22 LEU 81 HD22 LEU 81 68.839 3.478 3.782 257 HD23 LEU 81 HD23 LEU 81 69.206 3.178 2.083 Start of MODEL 12 1 H1 GLN 49 HT1 GLN 49 38.436 -5.917 10.399 2 H2 GLN 49 HT2 GLN 49 39.308 -4.773 9.463 3 H3 GLN 49 HT3 GLN 49 38.225 -5.863 8.698 4 HA GLN 49 HA GLN 49 36.457 -4.843 10.128 5 HB2 GLN 49 HB2 GLN 49 38.633 -2.747 10.306 6 HB3 GLN 49 HB1 GLN 49 36.970 -2.534 10.835 7 HG2 GLN 49 HG2 GLN 49 37.962 -4.863 12.089 8 HG3 GLN 49 HG1 GLN 49 39.182 -3.603 12.265 9 HE21 GLN 49 HE21 GLN 49 38.859 -3.352 14.450 10 HE22 GLN 49 HE22 GLN 49 37.433 -2.636 15.112 11 H MET 50 HN MET 50 38.826 -3.828 7.758 12 HA MET 50 HA MET 50 36.955 -3.540 5.694 13 HB2 MET 50 HB2 MET 50 37.477 -1.128 7.307 14 HB3 MET 50 HB1 MET 50 37.608 -0.903 5.568 15 HG2 MET 50 HG2 MET 50 35.283 -2.277 5.733 16 HG3 MET 50 HG1 MET 50 35.248 -1.371 7.244 17 HE1 MET 50 HE1 MET 50 35.267 1.742 7.033 18 HE2 MET 50 HE2 MET 50 36.248 2.145 5.624 19 HE3 MET 50 HE3 MET 50 36.816 0.939 6.779 20 H GLN 51 HN GLN 51 39.957 -2.072 6.871 21 HA GLN 51 HA GLN 51 42.041 -1.917 5.977 22 HB2 GLN 51 HB2 GLN 51 40.964 -4.388 4.699 23 HB3 GLN 51 HB1 GLN 51 42.469 -3.721 4.083 24 HG2 GLN 51 HG2 GLN 51 42.960 -3.699 6.741 25 HG3 GLN 51 HG1 GLN 51 41.905 -5.105 6.607 26 HE21 GLN 51 HE21 GLN 51 45.022 -3.845 6.084 27 HE22 GLN 51 HE22 GLN 51 45.727 -5.249 5.369 28 HA PRO 52 HA PRO 52 41.573 0.711 2.456 29 HB2 PRO 52 HB2 PRO 52 44.156 1.047 1.745 30 HB3 PRO 52 HB1 PRO 52 43.477 1.768 3.210 31 HG2 PRO 52 HG2 PRO 52 45.116 -0.720 2.908 32 HG3 PRO 52 HG1 PRO 52 45.244 0.563 4.125 33 HD2 PRO 52 HD2 PRO 52 43.997 -1.804 4.602 34 HD3 PRO 52 HD1 PRO 52 43.516 -0.286 5.384 35 H LEU 53 HN LEU 53 42.804 -2.460 2.228 36 HA LEU 53 HA LEU 53 42.888 -3.966 0.527 37 HB2 LEU 53 HB2 LEU 53 40.698 -2.656 -0.030 38 HB3 LEU 53 HB1 LEU 53 41.648 -1.985 -1.343 39 HG LEU 53 HG LEU 53 41.914 -4.856 -1.299 40 HD11 LEU 53 HD11 LEU 53 39.564 -5.350 -1.972 41 HD12 LEU 53 HD12 LEU 53 39.112 -3.754 -1.371 42 HD13 LEU 53 HD13 LEU 53 39.764 -4.961 -0.263 43 HD21 LEU 53 HD21 LEU 53 42.432 -3.813 -3.295 44 HD22 LEU 53 HD22 LEU 53 41.035 -2.738 -3.216 45 HD23 LEU 53 HD23 LEU 53 40.816 -4.441 -3.615 46 H CYS 54 HN CYS 54 44.825 -1.559 0.828 47 HA CYS 54 HA CYS 54 46.793 -2.364 -0.909 48 HB2 CYS 54 HB2 CYS 54 46.723 -0.378 -2.551 49 HB3 CYS 54 HB1 CYS 54 45.626 -1.722 -2.845 50 HG CYS 54 HG CYS 54 43.664 -0.267 -2.355 51 H PHE 55 HN PHE 55 48.308 -0.261 -1.448 52 HA PHE 55 HA PHE 55 48.265 1.608 0.777 53 HB2 PHE 55 HB2 PHE 55 50.160 -0.644 0.530 54 HB3 PHE 55 HB1 PHE 55 50.892 0.919 0.880 55 HD1 PHE 55 HD1 PHE 55 49.415 2.276 2.737 56 HD2 PHE 55 HD2 PHE 55 49.757 -1.949 2.359 57 HE1 PHE 55 HE1 PHE 55 48.829 2.019 5.113 58 HE2 PHE 55 HE2 PHE 55 49.172 -2.214 4.734 59 HZ PHE 55 HZ PHE 55 48.706 -0.228 6.115 60 H ASN 56 HN ASN 56 49.746 3.390 0.496 61 HA ASN 56 HA ASN 56 50.701 3.691 -2.274 62 HB2 ASN 56 HB2 ASN 56 48.573 5.063 -1.226 63 HB3 ASN 56 HB1 ASN 56 49.901 6.176 -0.917 64 HD21 ASN 56 HD21 ASN 56 47.670 5.108 -3.157 65 HD22 ASN 56 HD22 ASN 56 48.341 5.843 -4.570 66 H CYS 57 HN CYS 57 52.741 4.359 -2.501 67 HA CYS 57 HA CYS 57 54.403 4.653 -0.192 68 HB2 CYS 57 HB2 CYS 57 55.252 3.553 -2.192 69 HB3 CYS 57 HB1 CYS 57 54.999 5.014 -3.133 70 HA PRO 58 HA PRO 58 53.771 9.084 0.018 71 HB2 PRO 58 HB2 PRO 58 55.113 9.535 2.292 72 HB3 PRO 58 HB1 PRO 58 53.554 8.701 2.284 73 HG2 PRO 58 HG2 PRO 58 56.314 7.556 2.470 74 HG3 PRO 58 HG1 PRO 58 54.856 7.116 3.378 75 HD2 PRO 58 HD2 PRO 58 55.780 5.727 1.201 76 HD3 PRO 58 HD1 PRO 58 54.081 5.757 1.707 77 H ILE 59 HN ILE 59 56.430 7.596 -1.105 78 HA ILE 59 HA ILE 59 58.083 10.027 -0.984 79 HB ILE 59 HB ILE 59 59.068 7.266 -1.682 80 HG12 ILE 59 HG12 ILE 59 60.150 7.790 0.752 81 HG13 ILE 59 HG11 ILE 59 58.575 8.553 0.935 82 HG21 ILE 59 HG21 ILE 59 61.245 8.469 -0.898 83 HG22 ILE 59 HG22 ILE 59 60.334 9.935 -1.255 84 HG23 ILE 59 HG23 ILE 59 60.622 8.746 -2.524 85 HD11 ILE 59 HD11 ILE 59 58.963 5.711 0.043 86 HD12 ILE 59 HD12 ILE 59 57.453 6.501 0.496 87 HD13 ILE 59 HD13 ILE 59 58.690 6.198 1.716 88 H CYS 60 HN CYS 60 57.290 7.310 -3.203 89 HA CYS 60 HA CYS 60 57.701 9.222 -5.414 90 HB2 CYS 60 HB2 CYS 60 58.378 7.449 -6.831 91 HB3 CYS 60 HB1 CYS 60 59.236 7.218 -5.313 92 H ASP 61 HN ASP 61 55.332 7.583 -3.731 93 HA ASP 61 HA ASP 61 53.061 7.683 -4.013 94 HB2 ASP 61 HB2 ASP 61 53.415 8.291 -6.943 95 HB3 ASP 61 HB1 ASP 61 52.020 8.613 -5.921 96 H LYS 62 HN LYS 62 55.108 5.483 -4.909 97 HA LYS 62 HA LYS 62 53.757 3.889 -6.800 98 HB2 LYS 62 HB2 LYS 62 56.038 3.578 -4.993 99 HB3 LYS 62 HB1 LYS 62 55.149 2.085 -5.248 100 HG2 LYS 62 HG2 LYS 62 55.864 3.715 -7.625 101 HG3 LYS 62 HG1 LYS 62 57.134 2.790 -6.821 102 HD2 LYS 62 HD2 LYS 62 55.694 0.766 -7.016 103 HD3 LYS 62 HD1 LYS 62 54.552 1.723 -7.962 104 HE2 LYS 62 HE2 LYS 62 57.330 1.863 -8.895 105 HE3 LYS 62 HE1 LYS 62 56.602 0.260 -9.000 106 HZ1 LYS 62 HZ1 LYS 62 55.201 2.648 -10.030 107 HZ2 LYS 62 HZ2 LYS 62 54.948 1.023 -10.425 108 HZ3 LYS 62 HZ3 LYS 62 56.333 1.821 -10.977 109 H ILE 63 HN ILE 63 52.112 2.468 -6.613 110 HA ILE 63 HA ILE 63 50.852 2.234 -3.978 111 HB ILE 63 HB ILE 63 49.683 1.434 -6.639 112 HG12 ILE 63 HG12 ILE 63 48.526 3.824 -5.530 113 HG13 ILE 63 HG11 ILE 63 50.263 4.044 -5.719 114 HG21 ILE 63 HG21 ILE 63 48.598 0.381 -4.767 115 HG22 ILE 63 HG22 ILE 63 47.543 1.636 -5.416 116 HG23 ILE 63 HG23 ILE 63 48.452 1.928 -3.934 117 HD11 ILE 63 HD11 ILE 63 49.604 2.911 -8.096 118 HD12 ILE 63 HD12 ILE 63 49.730 4.646 -7.800 119 HD13 ILE 63 HD13 ILE 63 48.156 3.852 -7.734 120 H PHE 64 HN PHE 64 50.044 0.208 -3.233 121 HA PHE 64 HA PHE 64 51.097 -2.199 -4.502 122 HB2 PHE 64 HB2 PHE 64 51.776 -1.272 -1.718 123 HB3 PHE 64 HB1 PHE 64 51.855 -2.970 -2.172 124 HD1 PHE 64 HD2 PHE 64 53.292 0.363 -2.748 125 HD2 PHE 64 HD1 PHE 64 53.626 -3.808 -3.520 126 HE1 PHE 64 HE2 PHE 64 55.569 0.710 -3.614 127 HE2 PHE 64 HE1 PHE 64 55.904 -3.470 -4.385 128 HZ PHE 64 HZ PHE 64 56.877 -1.208 -4.433 129 HA PRO 65 HA PRO 65 47.193 -3.801 -3.181 130 HB2 PRO 65 HB2 PRO 65 47.707 -6.459 -3.135 131 HB3 PRO 65 HB1 PRO 65 47.558 -5.545 -4.640 132 HG2 PRO 65 HG2 PRO 65 50.019 -6.431 -3.197 133 HG3 PRO 65 HG1 PRO 65 49.679 -6.439 -4.935 134 HD2 PRO 65 HD2 PRO 65 51.189 -4.524 -3.718 135 HD3 PRO 65 HD1 PRO 65 50.228 -4.222 -5.180 136 H ALA 66 HN ALA 66 46.118 -4.470 -1.347 137 HA ALA 66 HA ALA 66 47.344 -4.095 1.120 138 HB1 ALA 66 HB1 ALA 66 45.193 -5.475 1.876 139 HB2 ALA 66 HB2 ALA 66 44.723 -5.127 0.212 140 HB3 ALA 66 HB3 ALA 66 45.105 -3.805 1.315 141 H THR 67 HN THR 67 47.214 -6.920 -0.861 142 HA THR 67 HA THR 67 47.715 -8.795 1.255 143 HB THR 67 HB THR 67 48.415 -10.150 -0.973 144 HG1 THR 67 HG1 THR 67 48.068 -8.224 -2.242 145 HG21 THR 67 HG21 THR 67 45.505 -9.725 -0.728 146 HG22 THR 67 HG22 THR 67 46.356 -10.327 0.695 147 HG23 THR 67 HG23 THR 67 46.435 -11.220 -0.824 148 H GLU 68 HN GLU 68 49.624 -6.823 -0.876 149 HA GLU 68 HA GLU 68 52.047 -8.249 -0.108 150 HB2 GLU 68 HB2 GLU 68 51.603 -6.093 -2.173 151 HB3 GLU 68 HB1 GLU 68 53.160 -6.827 -1.822 152 HG2 GLU 68 HG2 GLU 68 50.770 -8.409 -2.719 153 HG3 GLU 68 HG1 GLU 68 51.950 -7.719 -3.833 154 H LYS 69 HN LYS 69 50.681 -6.703 1.864 155 HA LYS 69 HA LYS 69 51.608 -4.131 2.273 156 HB2 LYS 69 HB2 LYS 69 49.931 -5.205 3.705 157 HB3 LYS 69 HB1 LYS 69 51.161 -6.283 4.351 158 HG2 LYS 69 HG2 LYS 69 51.720 -3.399 4.590 159 HG3 LYS 69 HG1 LYS 69 50.378 -4.017 5.555 160 HD2 LYS 69 HD2 LYS 69 52.512 -5.861 5.802 161 HD3 LYS 69 HD1 LYS 69 53.187 -4.246 6.026 162 HE2 LYS 69 HE2 LYS 69 50.993 -4.005 7.534 163 HE3 LYS 69 HE1 LYS 69 51.239 -5.745 7.678 164 HZ1 LYS 69 HZ1 LYS 69 53.617 -5.151 8.274 165 HZ2 LYS 69 HZ2 LYS 69 52.434 -4.812 9.435 166 HZ3 LYS 69 HZ3 LYS 69 53.067 -3.565 8.483 167 H GLN 70 HN GLN 70 53.284 -7.158 2.562 168 HA GLN 70 HA GLN 70 55.474 -6.239 4.117 169 HB2 GLN 70 HB2 GLN 70 56.618 -8.290 3.263 170 HB3 GLN 70 HB1 GLN 70 55.051 -8.598 3.997 171 HG2 GLN 70 HG2 GLN 70 54.027 -8.935 1.895 172 HG3 GLN 70 HG1 GLN 70 55.427 -8.298 1.033 173 HE21 GLN 70 HE21 GLN 70 57.488 -9.527 1.434 174 HE22 GLN 70 HE22 GLN 70 57.374 -11.251 1.462 175 H ILE 71 HN ILE 71 54.847 -6.438 0.659 176 HA ILE 71 HA ILE 71 57.462 -5.634 -0.142 177 HB ILE 71 HB ILE 71 54.913 -5.372 -1.739 178 HG12 ILE 71 HG12 ILE 71 56.808 -7.721 -1.498 179 HG13 ILE 71 HG11 ILE 71 55.145 -7.665 -0.921 180 HG21 ILE 71 HG21 ILE 71 57.701 -5.821 -2.764 181 HG22 ILE 71 HG22 ILE 71 57.043 -4.206 -2.497 182 HG23 ILE 71 HG23 ILE 71 56.273 -5.292 -3.655 183 HD11 ILE 71 HD11 ILE 71 55.200 -8.896 -2.958 184 HD12 ILE 71 HD12 ILE 71 56.084 -7.606 -3.775 185 HD13 ILE 71 HD13 ILE 71 54.412 -7.350 -3.275 186 H PHE 72 HN PHE 72 54.509 -3.968 0.690 187 HA PHE 72 HA PHE 72 55.249 -1.427 -0.356 188 HB2 PHE 72 HB2 PHE 72 52.915 -1.908 0.057 189 HB3 PHE 72 HB1 PHE 72 53.236 -2.216 1.760 190 HD1 PHE 72 HD2 PHE 72 53.956 0.530 -0.667 191 HD2 PHE 72 HD1 PHE 72 52.477 -0.581 3.164 192 HE1 PHE 72 HE2 PHE 72 53.507 2.894 -0.161 193 HE2 PHE 72 HE1 PHE 72 52.024 1.782 3.679 194 HZ PHE 72 HZ PHE 72 52.540 3.524 2.015 195 H GLU 73 HN GLU 73 55.709 -3.065 2.711 196 HA GLU 73 HA GLU 73 56.684 -0.778 4.113 197 HB2 GLU 73 HB2 GLU 73 56.288 -3.630 4.649 198 HB3 GLU 73 HB1 GLU 73 57.734 -2.981 5.411 199 HG2 GLU 73 HG2 GLU 73 55.938 -2.817 6.958 200 HG3 GLU 73 HG1 GLU 73 56.336 -1.192 6.405 201 H ASP 74 HN ASP 74 58.084 -3.418 2.285 202 HA ASP 74 HA ASP 74 60.782 -2.794 2.887 203 HB2 ASP 74 HB2 ASP 74 59.416 -4.840 1.509 204 HB3 ASP 74 HB1 ASP 74 60.524 -4.122 0.344 205 H HIS 75 HN HIS 75 58.635 -2.049 0.187 206 HA HIS 75 HA HIS 75 60.431 -0.757 -1.488 207 HB2 HIS 75 HB2 HIS 75 58.200 -1.279 -2.246 208 HB3 HIS 75 HB1 HIS 75 57.493 -0.228 -1.023 209 HD1 HIS 75 HD1 HIS 75 58.534 -0.231 -4.501 210 HD2 HIS 75 HD2 HIS 75 58.214 2.593 -1.463 211 HE1 HIS 75 HE1 HIS 75 58.514 2.035 -5.627 212 H VAL 76 HN VAL 76 58.300 0.689 0.956 213 HA VAL 76 HA VAL 76 59.279 3.309 0.766 214 HB VAL 76 HB VAL 76 58.172 1.929 3.219 215 HG11 VAL 76 HG11 VAL 76 58.194 3.892 4.293 216 HG12 VAL 76 HG12 VAL 76 57.642 4.777 2.871 217 HG13 VAL 76 HG13 VAL 76 59.354 4.404 3.068 218 HG21 VAL 76 HG21 VAL 76 56.864 2.133 0.891 219 HG22 VAL 76 HG22 VAL 76 56.482 3.713 1.576 220 HG23 VAL 76 HG23 VAL 76 56.064 2.244 2.458 221 H PHE 77 HN PHE 77 60.328 0.517 2.608 222 HA PHE 77 HA PHE 77 62.206 1.704 4.291 223 HB2 PHE 77 HB2 PHE 77 61.413 -0.900 3.702 224 HB3 PHE 77 HB1 PHE 77 63.111 -0.863 3.242 225 HD1 PHE 77 HD1 PHE 77 61.105 0.594 6.035 226 HD2 PHE 77 HD2 PHE 77 64.471 -1.730 4.862 227 HE1 PHE 77 HE1 PHE 77 61.743 0.335 8.397 228 HE2 PHE 77 HE2 PHE 77 65.116 -1.993 7.222 229 HZ PHE 77 HZ PHE 77 63.751 -0.961 8.992 230 H CYS 78 HN CYS 78 62.326 0.914 0.891 231 HA CYS 78 HA CYS 78 65.119 1.208 0.577 232 HB2 CYS 78 HB2 CYS 78 62.950 0.547 -1.089 233 HB3 CYS 78 HB1 CYS 78 63.677 1.981 -1.803 234 HG CYS 78 HG CYS 78 65.174 -0.715 -1.415 235 H HIS 79 HN HIS 79 62.408 3.426 0.132 236 HA HIS 79 HA HIS 79 63.965 5.667 -0.599 237 HB2 HIS 79 HB2 HIS 79 61.262 5.470 0.748 238 HB3 HIS 79 HB1 HIS 79 61.980 6.994 0.237 239 HD1 HIS 79 HD1 HIS 79 62.290 7.285 -2.419 240 HD2 HIS 79 HD2 HIS 79 59.981 4.066 -1.175 241 HE1 HIS 79 HE1 HIS 79 60.973 6.532 -4.444 242 H SER 80 HN SER 80 63.549 3.965 2.326 243 HA SER 80 HA SER 80 64.141 6.128 4.114 244 HB2 SER 80 HB2 SER 80 63.008 3.710 4.482 245 HB3 SER 80 HB1 SER 80 64.658 3.348 4.990 246 HG SER 80 HG SER 80 64.509 5.053 6.479 247 H LEU 81 HN LEU 81 65.997 4.133 2.081 248 HA LEU 81 HA LEU 81 68.394 4.156 3.633 249 HB2 LEU 81 HB2 LEU 81 68.038 3.621 0.692 250 HB3 LEU 81 HB1 LEU 81 69.449 3.219 1.660 251 HG LEU 81 HG LEU 81 66.816 2.138 2.504 252 HD11 LEU 81 HD11 LEU 81 67.004 1.787 0.021 253 HD12 LEU 81 HD12 LEU 81 66.903 0.310 0.977 254 HD13 LEU 81 HD13 LEU 81 68.457 0.839 0.334 255 HD21 LEU 81 HD21 LEU 81 68.595 0.145 2.752 256 HD22 LEU 81 HD22 LEU 81 68.352 1.385 3.982 257 HD23 LEU 81 HD23 LEU 81 69.687 1.527 2.839 Start of MODEL 13 1 H1 GLN 49 HT1 GLN 49 32.462 -0.635 2.233 2 H2 GLN 49 HT2 GLN 49 33.438 -1.996 1.862 3 H3 GLN 49 HT3 GLN 49 34.156 -0.450 2.056 4 HA GLN 49 HA GLN 49 33.278 -0.469 4.361 5 HB2 GLN 49 HB2 GLN 49 32.562 -3.183 3.363 6 HB3 GLN 49 HB1 GLN 49 33.118 -3.052 5.026 7 HG2 GLN 49 HG2 GLN 49 31.297 -1.812 5.683 8 HG3 GLN 49 HG1 GLN 49 30.976 -1.224 4.053 9 HE21 GLN 49 HE21 GLN 49 29.873 -3.205 6.404 10 HE22 GLN 49 HE22 GLN 49 28.950 -4.314 5.454 11 H MET 50 HN MET 50 35.626 0.042 3.316 12 HA MET 50 HA MET 50 37.875 -0.115 3.615 13 HB2 MET 50 HB2 MET 50 37.275 -2.009 5.884 14 HB3 MET 50 HB1 MET 50 38.680 -0.971 5.691 15 HG2 MET 50 HG2 MET 50 36.575 0.802 5.645 16 HG3 MET 50 HG1 MET 50 36.074 -0.398 6.836 17 HE1 MET 50 HE1 MET 50 36.776 0.733 9.585 18 HE2 MET 50 HE2 MET 50 38.248 -0.234 9.676 19 HE3 MET 50 HE3 MET 50 36.843 -0.849 8.807 20 H GLN 51 HN GLN 51 38.548 -1.148 1.793 21 HA GLN 51 HA GLN 51 38.597 -4.086 1.826 22 HB2 GLN 51 HB2 GLN 51 37.729 -2.383 -0.137 23 HB3 GLN 51 HB1 GLN 51 39.369 -2.735 -0.665 24 HG2 GLN 51 HG2 GLN 51 38.328 -5.205 0.052 25 HG3 GLN 51 HG1 GLN 51 37.000 -4.380 -0.763 26 HE21 GLN 51 HE21 GLN 51 37.932 -3.071 -2.761 27 HE22 GLN 51 HE22 GLN 51 38.880 -4.033 -3.837 28 HA PRO 52 HA PRO 52 42.986 -3.091 2.714 29 HB2 PRO 52 HB2 PRO 52 43.521 -5.491 3.884 30 HB3 PRO 52 HB1 PRO 52 42.809 -4.127 4.753 31 HG2 PRO 52 HG2 PRO 52 41.468 -6.528 3.574 32 HG3 PRO 52 HG1 PRO 52 41.182 -5.741 5.137 33 HD2 PRO 52 HD2 PRO 52 39.575 -5.342 3.003 34 HD3 PRO 52 HD1 PRO 52 39.890 -4.072 4.202 35 H LEU 53 HN LEU 53 43.040 -3.240 0.287 36 HA LEU 53 HA LEU 53 44.442 -5.693 -0.494 37 HB2 LEU 53 HB2 LEU 53 41.955 -4.700 -1.546 38 HB3 LEU 53 HB1 LEU 53 43.174 -4.697 -2.806 39 HG LEU 53 HG LEU 53 43.623 -7.143 -2.032 40 HD11 LEU 53 HD11 LEU 53 42.387 -7.585 -0.186 41 HD12 LEU 53 HD12 LEU 53 41.182 -8.011 -1.401 42 HD13 LEU 53 HD13 LEU 53 41.124 -6.432 -0.619 43 HD21 LEU 53 HD21 LEU 53 41.616 -7.867 -3.474 44 HD22 LEU 53 HD22 LEU 53 42.849 -6.838 -4.203 45 HD23 LEU 53 HD23 LEU 53 41.322 -6.138 -3.665 46 H CYS 54 HN CYS 54 45.499 -3.176 0.380 47 HA CYS 54 HA CYS 54 47.465 -2.754 -1.580 48 HB2 CYS 54 HB2 CYS 54 46.840 -0.325 -2.085 49 HB3 CYS 54 HB1 CYS 54 45.915 -1.573 -2.913 50 HG CYS 54 HG CYS 54 44.817 0.417 -0.870 51 H PHE 55 HN PHE 55 49.198 -1.692 -0.720 52 HA PHE 55 HA PHE 55 48.855 -0.664 2.014 53 HB2 PHE 55 HB2 PHE 55 51.371 -1.650 0.654 54 HB3 PHE 55 HB1 PHE 55 51.233 -1.146 2.335 55 HD1 PHE 55 HD2 PHE 55 48.750 -2.425 3.175 56 HD2 PHE 55 HD1 PHE 55 51.884 -3.901 0.704 57 HE1 PHE 55 HE2 PHE 55 48.166 -4.727 3.818 58 HE2 PHE 55 HE1 PHE 55 51.306 -6.206 1.342 59 HZ PHE 55 HZ PHE 55 49.446 -6.621 2.902 60 H ASN 56 HN ASN 56 49.751 1.304 2.628 61 HA ASN 56 HA ASN 56 50.676 3.009 0.412 62 HB2 ASN 56 HB2 ASN 56 49.625 4.911 1.743 63 HB3 ASN 56 HB1 ASN 56 48.513 3.800 0.948 64 HD21 ASN 56 HD21 ASN 56 46.884 4.429 2.400 65 HD22 ASN 56 HD22 ASN 56 46.848 3.833 4.022 66 H CYS 57 HN CYS 57 52.541 4.049 0.675 67 HA CYS 57 HA CYS 57 54.113 3.570 3.026 68 HB2 CYS 57 HB2 CYS 57 55.336 3.555 1.008 69 HB3 CYS 57 HB1 CYS 57 54.594 5.045 0.444 70 HA PRO 58 HA PRO 58 52.445 7.274 4.981 71 HB2 PRO 58 HB2 PRO 58 53.639 6.908 7.383 72 HB3 PRO 58 HB1 PRO 58 52.199 6.013 6.885 73 HG2 PRO 58 HG2 PRO 58 55.069 5.161 6.835 74 HG3 PRO 58 HG1 PRO 58 53.640 4.248 7.356 75 HD2 PRO 58 HD2 PRO 58 54.783 3.910 4.923 76 HD3 PRO 58 HD1 PRO 58 53.040 3.713 5.197 77 H ILE 59 HN ILE 59 55.713 6.488 4.279 78 HA ILE 59 HA ILE 59 56.904 8.781 5.498 79 HB ILE 59 HB ILE 59 58.036 7.124 3.246 80 HG12 ILE 59 HG12 ILE 59 59.254 6.379 5.649 81 HG13 ILE 59 HG11 ILE 59 57.540 6.468 6.037 82 HG21 ILE 59 HG21 ILE 59 59.139 9.172 5.115 83 HG22 ILE 59 HG22 ILE 59 59.401 8.974 3.382 84 HG23 ILE 59 HG23 ILE 59 60.185 7.881 4.524 85 HD11 ILE 59 HD11 ILE 59 56.991 4.772 4.581 86 HD12 ILE 59 HD12 ILE 59 58.558 4.247 5.198 87 HD13 ILE 59 HD13 ILE 59 58.442 4.996 3.606 88 H CYS 60 HN CYS 60 56.185 7.972 2.070 89 HA CYS 60 HA CYS 60 56.190 10.880 1.565 90 HB2 CYS 60 HB2 CYS 60 57.105 10.550 -0.590 91 HB3 CYS 60 HB1 CYS 60 58.069 9.561 0.500 92 H ASP 61 HN ASP 61 54.232 8.202 1.728 93 HA ASP 61 HA ASP 61 51.972 8.063 1.382 94 HB2 ASP 61 HB2 ASP 61 52.087 10.394 -0.523 95 HB3 ASP 61 HB1 ASP 61 50.701 9.780 0.370 96 H LYS 62 HN LYS 62 54.004 6.712 -0.137 97 HA LYS 62 HA LYS 62 52.940 6.554 -2.841 98 HB2 LYS 62 HB2 LYS 62 55.432 6.402 -2.225 99 HB3 LYS 62 HB1 LYS 62 55.073 4.769 -1.685 100 HG2 LYS 62 HG2 LYS 62 55.787 4.396 -3.831 101 HG3 LYS 62 HG1 LYS 62 54.042 4.513 -4.066 102 HD2 LYS 62 HD2 LYS 62 54.497 7.021 -4.481 103 HD3 LYS 62 HD1 LYS 62 56.175 6.521 -4.707 104 HE2 LYS 62 HE2 LYS 62 55.751 5.662 -6.727 105 HE3 LYS 62 HE1 LYS 62 54.291 4.849 -6.166 106 HZ1 LYS 62 HZ1 LYS 62 52.989 6.527 -6.856 107 HZ2 LYS 62 HZ2 LYS 62 54.285 6.883 -7.881 108 HZ3 LYS 62 HZ3 LYS 62 54.099 7.732 -6.431 109 H ILE 63 HN ILE 63 51.197 5.340 -3.212 110 HA ILE 63 HA ILE 63 50.706 3.020 -1.478 111 HB ILE 63 HB ILE 63 48.726 4.362 -3.310 112 HG12 ILE 63 HG12 ILE 63 47.930 5.048 -0.808 113 HG13 ILE 63 HG11 ILE 63 49.678 5.073 -0.603 114 HG21 ILE 63 HG21 ILE 63 48.643 2.103 -1.419 115 HG22 ILE 63 HG22 ILE 63 47.688 2.407 -2.869 116 HG23 ILE 63 HG23 ILE 63 47.276 3.217 -1.358 117 HD11 ILE 63 HD11 ILE 63 49.652 6.517 -2.753 118 HD12 ILE 63 HD12 ILE 63 49.217 7.243 -1.205 119 HD13 ILE 63 HD13 ILE 63 47.955 6.771 -2.343 120 H PHE 64 HN PHE 64 50.178 1.025 -2.287 121 HA PHE 64 HA PHE 64 50.250 0.582 -5.165 122 HB2 PHE 64 HB2 PHE 64 51.835 -1.394 -3.647 123 HB3 PHE 64 HB1 PHE 64 52.112 -0.719 -5.246 124 HD1 PHE 64 HD2 PHE 64 52.739 -0.344 -1.671 125 HD2 PHE 64 HD1 PHE 64 53.422 1.289 -5.539 126 HE1 PHE 64 HE2 PHE 64 54.555 1.044 -0.760 127 HE2 PHE 64 HE1 PHE 64 55.241 2.678 -4.637 128 HZ PHE 64 HZ PHE 64 55.809 2.554 -2.243 129 HA PRO 65 HA PRO 65 47.188 -2.459 -4.268 130 HB2 PRO 65 HB2 PRO 65 47.765 -4.507 -5.952 131 HB3 PRO 65 HB1 PRO 65 47.102 -2.967 -6.510 132 HG2 PRO 65 HG2 PRO 65 49.935 -3.930 -6.537 133 HG3 PRO 65 HG1 PRO 65 49.036 -3.062 -7.795 134 HD2 PRO 65 HD2 PRO 65 50.786 -1.832 -6.128 135 HD3 PRO 65 HD1 PRO 65 49.352 -1.016 -6.784 136 H ALA 66 HN ALA 66 46.739 -4.417 -3.193 137 HA ALA 66 HA ALA 66 48.559 -5.210 -1.247 138 HB1 ALA 66 HB1 ALA 66 46.442 -5.749 -0.621 139 HB2 ALA 66 HB2 ALA 66 46.947 -7.323 -1.236 140 HB3 ALA 66 HB3 ALA 66 45.971 -6.255 -2.243 141 H THR 67 HN THR 67 48.259 -6.239 -4.526 142 HA THR 67 HA THR 67 49.628 -8.741 -4.184 143 HB THR 67 HB THR 67 49.845 -8.259 -6.833 144 HG1 THR 67 HG1 THR 67 47.443 -6.941 -6.160 145 HG21 THR 67 HG21 THR 67 47.092 -8.942 -6.194 146 HG22 THR 67 HG22 THR 67 48.278 -9.884 -5.290 147 HG23 THR 67 HG23 THR 67 48.325 -9.865 -7.053 148 H GLU 68 HN GLU 68 50.554 -5.470 -4.461 149 HA GLU 68 HA GLU 68 53.232 -6.152 -5.384 150 HB2 GLU 68 HB2 GLU 68 51.633 -3.653 -5.243 151 HB3 GLU 68 HB1 GLU 68 53.377 -3.499 -5.083 152 HG2 GLU 68 HG2 GLU 68 53.726 -4.518 -7.221 153 HG3 GLU 68 HG1 GLU 68 52.012 -4.904 -7.366 154 H LYS 69 HN LYS 69 52.323 -6.986 -2.768 155 HA LYS 69 HA LYS 69 53.122 -5.383 -0.659 156 HB2 LYS 69 HB2 LYS 69 53.533 -7.524 0.568 157 HB3 LYS 69 HB1 LYS 69 51.970 -7.442 -0.232 158 HG2 LYS 69 HG2 LYS 69 52.514 -9.494 -0.948 159 HG3 LYS 69 HG1 LYS 69 53.441 -8.613 -2.164 160 HD2 LYS 69 HD2 LYS 69 54.893 -10.258 -1.253 161 HD3 LYS 69 HD1 LYS 69 55.398 -8.705 -0.583 162 HE2 LYS 69 HE2 LYS 69 53.478 -9.685 1.194 163 HE3 LYS 69 HE1 LYS 69 54.469 -11.080 0.770 164 HZ1 LYS 69 HZ1 LYS 69 55.200 -8.649 2.212 165 HZ2 LYS 69 HZ2 LYS 69 56.377 -9.327 1.204 166 HZ3 LYS 69 HZ3 LYS 69 55.705 -10.245 2.457 167 H GLN 70 HN GLN 70 55.050 -7.115 -2.969 168 HA GLN 70 HA GLN 70 57.485 -7.119 -1.502 169 HB2 GLN 70 HB2 GLN 70 56.997 -8.593 -3.460 170 HB3 GLN 70 HB1 GLN 70 57.119 -7.182 -4.502 171 HG2 GLN 70 HG2 GLN 70 59.225 -7.967 -4.732 172 HG3 GLN 70 HG1 GLN 70 59.469 -6.965 -3.302 173 HE21 GLN 70 HE21 GLN 70 61.335 -8.492 -3.150 174 HE22 GLN 70 HE22 GLN 70 61.090 -9.958 -2.271 175 H ILE 71 HN ILE 71 55.921 -4.841 -3.654 176 HA ILE 71 HA ILE 71 58.205 -3.108 -3.869 177 HB ILE 71 HB ILE 71 55.356 -2.333 -4.459 178 HG12 ILE 71 HG12 ILE 71 55.729 -4.439 -5.601 179 HG13 ILE 71 HG11 ILE 71 55.772 -3.131 -6.779 180 HG21 ILE 71 HG21 ILE 71 56.493 -0.419 -4.814 181 HG22 ILE 71 HG22 ILE 71 56.872 -1.182 -6.359 182 HG23 ILE 71 HG23 ILE 71 58.035 -1.247 -5.034 183 HD11 ILE 71 HD11 ILE 71 57.842 -5.029 -6.003 184 HD12 ILE 71 HD12 ILE 71 58.399 -3.358 -6.084 185 HD13 ILE 71 HD13 ILE 71 57.643 -4.105 -7.491 186 H PHE 72 HN PHE 72 55.368 -3.351 -1.833 187 HA PHE 72 HA PHE 72 55.577 -0.760 -0.673 188 HB2 PHE 72 HB2 PHE 72 53.458 -1.874 -0.570 189 HB3 PHE 72 HB1 PHE 72 54.168 -3.281 0.214 190 HD1 PHE 72 HD2 PHE 72 53.463 0.330 0.707 191 HD2 PHE 72 HD1 PHE 72 54.234 -3.435 2.536 192 HE1 PHE 72 HE2 PHE 72 52.931 1.293 2.908 193 HE2 PHE 72 HE1 PHE 72 53.702 -2.479 4.739 194 HZ PHE 72 HZ PHE 72 53.051 -0.111 4.928 195 H GLU 73 HN GLU 73 56.899 -3.918 0.108 196 HA GLU 73 HA GLU 73 57.930 -3.114 2.658 197 HB2 GLU 73 HB2 GLU 73 58.133 -5.546 0.938 198 HB3 GLU 73 HB1 GLU 73 59.333 -5.314 2.202 199 HG2 GLU 73 HG2 GLU 73 56.416 -5.126 2.825 200 HG3 GLU 73 HG1 GLU 73 57.214 -6.694 2.704 201 H ASP 74 HN ASP 74 59.186 -3.527 -0.602 202 HA ASP 74 HA ASP 74 61.872 -2.913 0.070 203 HB2 ASP 74 HB2 ASP 74 60.684 -3.985 -2.124 204 HB3 ASP 74 HB1 ASP 74 60.985 -2.345 -2.688 205 H HIS 75 HN HIS 75 59.161 -1.050 -1.193 206 HA HIS 75 HA HIS 75 60.491 1.354 -1.677 207 HB2 HIS 75 HB2 HIS 75 58.225 0.935 -2.474 208 HB3 HIS 75 HB1 HIS 75 57.632 0.889 -0.816 209 HD1 HIS 75 HD1 HIS 75 57.921 3.142 -3.598 210 HD2 HIS 75 HD2 HIS 75 58.151 3.494 0.542 211 HE1 HIS 75 HE1 HIS 75 57.571 5.592 -3.064 212 H VAL 76 HN VAL 76 58.631 0.378 1.184 213 HA VAL 76 HA VAL 76 59.244 2.627 2.754 214 HB VAL 76 HB VAL 76 58.671 -0.181 3.724 215 HG11 VAL 76 HG11 VAL 76 59.588 1.637 5.323 216 HG12 VAL 76 HG12 VAL 76 58.169 0.711 5.808 217 HG13 VAL 76 HG13 VAL 76 57.980 2.346 5.175 218 HG21 VAL 76 HG21 VAL 76 56.525 1.837 3.684 219 HG22 VAL 76 HG22 VAL 76 56.467 0.108 3.342 220 HG23 VAL 76 HG23 VAL 76 57.039 1.232 2.109 221 H PHE 77 HN PHE 77 60.885 -0.412 2.195 222 HA PHE 77 HA PHE 77 62.800 -0.318 4.224 223 HB2 PHE 77 HB2 PHE 77 62.403 -2.270 2.715 224 HB3 PHE 77 HB1 PHE 77 63.203 -1.386 1.420 225 HD1 PHE 77 HD2 PHE 77 65.608 -0.976 1.501 226 HD2 PHE 77 HD1 PHE 77 63.643 -3.262 4.504 227 HE1 PHE 77 HE2 PHE 77 67.782 -1.847 2.255 228 HE2 PHE 77 HE1 PHE 77 65.813 -4.137 5.264 229 HZ PHE 77 HZ PHE 77 67.887 -3.430 4.138 230 H CYS 78 HN CYS 78 62.619 1.299 1.122 231 HA CYS 78 HA CYS 78 65.271 2.252 1.081 232 HB2 CYS 78 HB2 CYS 78 62.771 3.346 -0.217 233 HB3 CYS 78 HB1 CYS 78 64.389 3.961 -0.536 234 HG CYS 78 HG CYS 78 64.254 2.303 -2.364 235 H HIS 79 HN HIS 79 62.253 3.701 2.211 236 HA HIS 79 HA HIS 79 63.424 6.107 3.133 237 HB2 HIS 79 HB2 HIS 79 60.920 4.655 4.013 238 HB3 HIS 79 HB1 HIS 79 61.377 6.253 4.592 239 HD1 HIS 79 HD1 HIS 79 61.455 8.171 2.670 240 HD2 HIS 79 HD2 HIS 79 59.568 4.605 1.689 241 HE1 HIS 79 HE1 HIS 79 60.031 8.658 0.636 242 H SER 80 HN SER 80 63.545 2.882 4.214 243 HA SER 80 HA SER 80 64.016 3.426 6.991 244 HB2 SER 80 HB2 SER 80 63.597 1.117 5.365 245 HB3 SER 80 HB1 SER 80 65.088 0.892 6.277 246 HG SER 80 HG SER 80 62.481 0.989 7.151 247 H LEU 81 HN LEU 81 65.892 3.630 4.176 248 HA LEU 81 HA LEU 81 68.420 3.033 5.363 249 HB2 LEU 81 HB2 LEU 81 67.806 4.512 2.814 250 HB3 LEU 81 HB1 LEU 81 69.363 3.842 3.274 251 HG LEU 81 HG LEU 81 67.021 2.018 3.164 252 HD11 LEU 81 HD11 LEU 81 67.258 1.674 0.792 253 HD12 LEU 81 HD12 LEU 81 68.563 2.857 0.707 254 HD13 LEU 81 HD13 LEU 81 66.920 3.379 1.084 255 HD21 LEU 81 HD21 LEU 81 68.898 0.889 3.864 256 HD22 LEU 81 HD22 LEU 81 69.986 1.852 2.863 257 HD23 LEU 81 HD23 LEU 81 68.969 0.615 2.123 Start of MODEL 14 1 H1 GLN 49 HT1 GLN 49 44.843 3.440 7.745 2 H2 GLN 49 HT2 GLN 49 44.980 4.717 6.607 3 H3 GLN 49 HT3 GLN 49 46.345 3.744 6.979 4 HA GLN 49 HA GLN 49 45.200 3.290 4.838 5 HB2 GLN 49 HB2 GLN 49 46.617 1.752 6.554 6 HB3 GLN 49 HB1 GLN 49 45.131 0.816 6.465 7 HG2 GLN 49 HG2 GLN 49 46.090 1.670 3.857 8 HG3 GLN 49 HG1 GLN 49 47.250 0.667 4.727 9 HE21 GLN 49 HE21 GLN 49 47.104 -1.304 3.927 10 HE22 GLN 49 HE22 GLN 49 45.643 -2.189 3.667 11 H MET 50 HN MET 50 43.558 1.723 3.971 12 HA MET 50 HA MET 50 41.223 1.207 5.557 13 HB2 MET 50 HB2 MET 50 41.192 3.701 4.732 14 HB3 MET 50 HB1 MET 50 40.704 2.978 3.206 15 HG2 MET 50 HG2 MET 50 38.653 2.452 3.953 16 HG3 MET 50 HG1 MET 50 39.228 2.049 5.570 17 HE1 MET 50 HE1 MET 50 36.748 3.460 6.441 18 HE2 MET 50 HE2 MET 50 36.599 3.434 4.684 19 HE3 MET 50 HE3 MET 50 36.382 4.946 5.564 20 H GLN 51 HN GLN 51 41.880 1.804 2.120 21 HA GLN 51 HA GLN 51 40.335 -0.180 1.030 22 HB2 GLN 51 HB2 GLN 51 42.804 1.224 0.154 23 HB3 GLN 51 HB1 GLN 51 42.322 -0.203 -0.752 24 HG2 GLN 51 HG2 GLN 51 40.595 0.838 -1.716 25 HG3 GLN 51 HG1 GLN 51 40.148 1.684 -0.235 26 HE21 GLN 51 HE21 GLN 51 39.768 3.529 -1.571 27 HE22 GLN 51 HE22 GLN 51 41.087 4.520 -2.083 28 HA PRO 52 HA PRO 52 42.577 -3.705 2.829 29 HB2 PRO 52 HB2 PRO 52 40.238 -5.219 1.913 30 HB3 PRO 52 HB1 PRO 52 40.868 -5.018 3.549 31 HG2 PRO 52 HG2 PRO 52 38.560 -3.876 2.750 32 HG3 PRO 52 HG1 PRO 52 39.637 -3.109 3.932 33 HD2 PRO 52 HD2 PRO 52 39.315 -2.538 1.007 34 HD3 PRO 52 HD1 PRO 52 39.498 -1.404 2.362 35 H LEU 53 HN LEU 53 43.080 -5.918 1.939 36 HA LEU 53 HA LEU 53 44.059 -7.185 0.326 37 HB2 LEU 53 HB2 LEU 53 41.452 -6.589 -0.534 38 HB3 LEU 53 HB1 LEU 53 42.473 -6.380 -1.944 39 HG LEU 53 HG LEU 53 43.371 -8.682 -1.560 40 HD11 LEU 53 HD11 LEU 53 41.552 -10.009 -0.113 41 HD12 LEU 53 HD12 LEU 53 41.547 -8.472 0.752 42 HD13 LEU 53 HD13 LEU 53 43.050 -9.375 0.567 43 HD21 LEU 53 HD21 LEU 53 41.212 -7.919 -2.932 44 HD22 LEU 53 HD22 LEU 53 40.440 -9.020 -1.790 45 HD23 LEU 53 HD23 LEU 53 41.736 -9.601 -2.836 46 H CYS 54 HN CYS 54 45.079 -4.524 0.741 47 HA CYS 54 HA CYS 54 46.761 -4.337 -1.559 48 HB2 CYS 54 HB2 CYS 54 44.462 -2.487 -1.272 49 HB3 CYS 54 HB1 CYS 54 46.002 -1.747 -1.693 50 HG CYS 54 HG CYS 54 45.442 -4.028 -3.557 51 H PHE 55 HN PHE 55 47.923 -1.960 -1.321 52 HA PHE 55 HA PHE 55 48.476 -1.456 1.504 53 HB2 PHE 55 HB2 PHE 55 50.484 -2.374 -0.542 54 HB3 PHE 55 HB1 PHE 55 50.976 -1.426 0.857 55 HD1 PHE 55 HD1 PHE 55 50.159 -2.342 3.169 56 HD2 PHE 55 HD2 PHE 55 50.447 -4.668 -0.384 57 HE1 PHE 55 HE1 PHE 55 50.258 -4.393 4.524 58 HE2 PHE 55 HE2 PHE 55 50.546 -6.723 0.965 59 HZ PHE 55 HZ PHE 55 50.452 -6.588 3.422 60 H ASN 56 HN ASN 56 49.409 0.601 1.917 61 HA ASN 56 HA ASN 56 49.592 2.412 -0.382 62 HB2 ASN 56 HB2 ASN 56 47.906 2.860 2.085 63 HB3 ASN 56 HB1 ASN 56 48.331 4.139 0.952 64 HD21 ASN 56 HD21 ASN 56 45.715 3.456 1.522 65 HD22 ASN 56 HD22 ASN 56 44.991 2.770 0.112 66 H CYS 57 HN CYS 57 51.422 3.528 -0.325 67 HA CYS 57 HA CYS 57 53.100 3.500 2.004 68 HB2 CYS 57 HB2 CYS 57 54.176 3.346 -0.133 69 HB3 CYS 57 HB1 CYS 57 53.383 4.808 -0.703 70 HA PRO 58 HA PRO 58 51.142 7.223 3.610 71 HB2 PRO 58 HB2 PRO 58 53.074 7.008 5.794 72 HB3 PRO 58 HB1 PRO 58 51.315 6.875 5.840 73 HG2 PRO 58 HG2 PRO 58 52.964 4.759 6.224 74 HG3 PRO 58 HG1 PRO 58 51.347 4.607 5.513 75 HD2 PRO 58 HD2 PRO 58 54.020 4.616 4.175 76 HD3 PRO 58 HD1 PRO 58 52.577 3.643 3.816 77 H ILE 59 HN ILE 59 54.455 6.749 2.779 78 HA ILE 59 HA ILE 59 55.325 9.386 3.502 79 HB ILE 59 HB ILE 59 56.674 7.442 1.634 80 HG12 ILE 59 HG12 ILE 59 58.018 7.379 4.051 81 HG13 ILE 59 HG11 ILE 59 56.328 7.433 4.539 82 HG21 ILE 59 HG21 ILE 59 58.695 8.764 2.668 83 HG22 ILE 59 HG22 ILE 59 57.470 10.005 2.927 84 HG23 ILE 59 HG23 ILE 59 57.795 9.415 1.298 85 HD11 ILE 59 HD11 ILE 59 55.836 5.437 3.384 86 HD12 ILE 59 HD12 ILE 59 57.333 5.149 4.270 87 HD13 ILE 59 HD13 ILE 59 57.381 5.464 2.536 88 H CYS 60 HN CYS 60 54.751 7.788 0.330 89 HA CYS 60 HA CYS 60 54.447 10.502 -0.786 90 HB2 CYS 60 HB2 CYS 60 55.262 9.734 -2.882 91 HB3 CYS 60 HB1 CYS 60 56.373 9.136 -1.657 92 H ASP 61 HN ASP 61 52.648 7.942 0.176 93 HA ASP 61 HA ASP 61 50.412 7.537 -0.042 94 HB2 ASP 61 HB2 ASP 61 50.282 9.395 -2.408 95 HB3 ASP 61 HB1 ASP 61 48.991 8.938 -1.302 96 H LYS 62 HN LYS 62 52.668 6.287 -1.615 97 HA LYS 62 HA LYS 62 51.701 5.503 -4.136 98 HB2 LYS 62 HB2 LYS 62 53.994 5.006 -2.586 99 HB3 LYS 62 HB1 LYS 62 53.299 3.428 -2.924 100 HG2 LYS 62 HG2 LYS 62 53.225 4.902 -5.331 101 HG3 LYS 62 HG1 LYS 62 54.829 5.115 -4.631 102 HD2 LYS 62 HD2 LYS 62 54.927 2.616 -4.353 103 HD3 LYS 62 HD1 LYS 62 53.441 2.525 -5.300 104 HE2 LYS 62 HE2 LYS 62 54.572 3.652 -7.163 105 HE3 LYS 62 HE1 LYS 62 56.057 3.715 -6.216 106 HZ1 LYS 62 HZ1 LYS 62 55.461 1.757 -7.925 107 HZ2 LYS 62 HZ2 LYS 62 54.873 1.085 -6.488 108 HZ3 LYS 62 HZ3 LYS 62 56.492 1.561 -6.597 109 H ILE 63 HN ILE 63 51.241 3.092 -4.634 110 HA ILE 63 HA ILE 63 49.705 1.767 -2.549 111 HB ILE 63 HB ILE 63 48.424 2.506 -5.177 112 HG12 ILE 63 HG12 ILE 63 47.943 3.590 -2.393 113 HG13 ILE 63 HG11 ILE 63 48.649 4.471 -3.743 114 HG21 ILE 63 HG21 ILE 63 47.459 0.968 -2.781 115 HG22 ILE 63 HG22 ILE 63 47.533 0.443 -4.463 116 HG23 ILE 63 HG23 ILE 63 46.358 1.663 -3.971 117 HD11 ILE 63 HD11 ILE 63 45.940 4.268 -3.013 118 HD12 ILE 63 HD12 ILE 63 46.131 3.429 -4.552 119 HD13 ILE 63 HD13 ILE 63 46.641 5.110 -4.394 120 H PHE 64 HN PHE 64 49.571 -0.412 -2.789 121 HA PHE 64 HA PHE 64 50.305 -1.643 -5.325 122 HB2 PHE 64 HB2 PHE 64 51.619 -2.924 -3.018 123 HB3 PHE 64 HB1 PHE 64 52.208 -2.680 -4.655 124 HD1 PHE 64 HD1 PHE 64 51.478 -0.722 -1.564 125 HD2 PHE 64 HD2 PHE 64 53.971 -1.256 -4.971 126 HE1 PHE 64 HE1 PHE 64 52.972 1.053 -0.745 127 HE2 PHE 64 HE2 PHE 64 55.469 0.518 -4.159 128 HZ PHE 64 HZ PHE 64 54.972 1.672 -2.041 129 HA PRO 65 HA PRO 65 47.241 -4.610 -4.224 130 HB2 PRO 65 HB2 PRO 65 48.299 -6.957 -5.120 131 HB3 PRO 65 HB1 PRO 65 47.634 -5.722 -6.195 132 HG2 PRO 65 HG2 PRO 65 50.488 -6.266 -5.472 133 HG3 PRO 65 HG1 PRO 65 49.788 -5.894 -7.058 134 HD2 PRO 65 HD2 PRO 65 51.064 -4.033 -5.578 135 HD3 PRO 65 HD1 PRO 65 49.684 -3.628 -6.621 136 H ALA 66 HN ALA 66 46.779 -6.524 -2.917 137 HA ALA 66 HA ALA 66 48.023 -6.462 -0.425 138 HB1 ALA 66 HB1 ALA 66 46.839 -8.884 -0.367 139 HB2 ALA 66 HB2 ALA 66 46.002 -8.153 -1.737 140 HB3 ALA 66 HB3 ALA 66 45.975 -7.360 -0.162 141 H THR 67 HN THR 67 48.668 -8.446 -3.242 142 HA THR 67 HA THR 67 50.416 -10.258 -1.859 143 HB THR 67 HB THR 67 51.049 -10.686 -4.424 144 HG1 THR 67 HG1 THR 67 49.907 -9.205 -5.471 145 HG21 THR 67 HG21 THR 67 49.915 -12.561 -4.133 146 HG22 THR 67 HG22 THR 67 48.379 -11.694 -4.080 147 HG23 THR 67 HG23 THR 67 49.330 -11.894 -2.609 148 H GLU 68 HN GLU 68 50.767 -7.085 -2.709 149 HA GLU 68 HA GLU 68 53.577 -7.316 -3.432 150 HB2 GLU 68 HB2 GLU 68 51.477 -5.408 -3.968 151 HB3 GLU 68 HB1 GLU 68 52.884 -4.602 -3.288 152 HG2 GLU 68 HG2 GLU 68 52.905 -4.668 -5.744 153 HG3 GLU 68 HG1 GLU 68 54.292 -5.479 -5.023 154 H LYS 69 HN LYS 69 52.482 -7.872 -0.710 155 HA LYS 69 HA LYS 69 53.038 -5.830 1.097 156 HB2 LYS 69 HB2 LYS 69 53.488 -7.713 2.726 157 HB3 LYS 69 HB1 LYS 69 51.933 -7.768 1.909 158 HG2 LYS 69 HG2 LYS 69 52.379 -9.841 1.286 159 HG3 LYS 69 HG1 LYS 69 53.703 -9.225 0.295 160 HD2 LYS 69 HD2 LYS 69 55.297 -9.658 1.930 161 HD3 LYS 69 HD1 LYS 69 54.100 -9.692 3.226 162 HE2 LYS 69 HE2 LYS 69 54.203 -11.744 1.026 163 HE3 LYS 69 HE1 LYS 69 55.072 -11.925 2.549 164 HZ1 LYS 69 HZ1 LYS 69 53.085 -12.035 3.747 165 HZ2 LYS 69 HZ2 LYS 69 52.797 -12.992 2.383 166 HZ3 LYS 69 HZ3 LYS 69 52.157 -11.429 2.468 167 H GLN 70 HN GLN 70 55.164 -8.114 -0.498 168 HA GLN 70 HA GLN 70 57.492 -7.550 1.015 169 HB2 GLN 70 HB2 GLN 70 57.182 -9.565 -0.428 170 HB3 GLN 70 HB1 GLN 70 57.329 -8.528 -1.840 171 HG2 GLN 70 HG2 GLN 70 59.485 -9.095 -1.757 172 HG3 GLN 70 HG1 GLN 70 59.581 -7.877 -0.487 173 HE21 GLN 70 HE21 GLN 70 60.551 -8.516 1.286 174 HE22 GLN 70 HE22 GLN 70 60.639 -10.136 1.880 175 H ILE 71 HN ILE 71 56.190 -6.263 -1.995 176 HA ILE 71 HA ILE 71 58.372 -4.494 -2.490 177 HB ILE 71 HB ILE 71 55.591 -4.110 -3.571 178 HG12 ILE 71 HG12 ILE 71 55.988 -6.427 -3.972 179 HG13 ILE 71 HG11 ILE 71 56.353 -5.596 -5.479 180 HG21 ILE 71 HG21 ILE 71 56.862 -2.350 -4.310 181 HG22 ILE 71 HG22 ILE 71 57.127 -3.514 -5.608 182 HG23 ILE 71 HG23 ILE 71 58.349 -3.299 -4.354 183 HD11 ILE 71 HD11 ILE 71 57.959 -7.387 -4.861 184 HD12 ILE 71 HD12 ILE 71 58.435 -6.411 -3.471 185 HD13 ILE 71 HD13 ILE 71 58.697 -5.803 -5.105 186 H PHE 72 HN PHE 72 55.362 -4.298 -0.732 187 HA PHE 72 HA PHE 72 55.250 -1.482 -0.471 188 HB2 PHE 72 HB2 PHE 72 53.263 -2.764 -0.051 189 HB3 PHE 72 HB1 PHE 72 54.071 -3.716 1.189 190 HD1 PHE 72 HD2 PHE 72 53.943 -0.035 0.628 191 HD2 PHE 72 HD1 PHE 72 52.987 -3.304 3.178 192 HE1 PHE 72 HE2 PHE 72 53.154 1.541 2.345 193 HE2 PHE 72 HE1 PHE 72 52.196 -1.735 4.900 194 HZ PHE 72 HZ PHE 72 52.279 0.691 4.484 195 H GLU 73 HN GLU 73 56.812 -4.025 1.386 196 HA GLU 73 HA GLU 73 57.605 -2.311 3.537 197 HB2 GLU 73 HB2 GLU 73 58.611 -5.042 2.714 198 HB3 GLU 73 HB1 GLU 73 59.031 -4.224 4.211 199 HG2 GLU 73 HG2 GLU 73 56.172 -4.361 3.870 200 HG3 GLU 73 HG1 GLU 73 56.907 -5.960 3.777 201 H ASP 74 HN ASP 74 59.036 -3.512 0.567 202 HA ASP 74 HA ASP 74 61.628 -2.471 1.057 203 HB2 ASP 74 HB2 ASP 74 60.213 -3.476 -1.396 204 HB3 ASP 74 HB1 ASP 74 61.807 -2.739 -1.516 205 H HIS 75 HN HIS 75 58.788 -1.309 -0.666 206 HA HIS 75 HA HIS 75 59.879 0.989 -1.805 207 HB2 HIS 75 HB2 HIS 75 57.684 0.164 -2.446 208 HB3 HIS 75 HB1 HIS 75 57.066 0.476 -0.827 209 HD1 HIS 75 HD1 HIS 75 57.198 1.979 -4.094 210 HD2 HIS 75 HD2 HIS 75 57.254 3.369 -0.175 211 HE1 HIS 75 HE1 HIS 75 56.587 4.434 -4.195 212 H VAL 76 HN VAL 76 58.081 0.654 1.238 213 HA VAL 76 HA VAL 76 58.432 3.293 2.128 214 HB VAL 76 HB VAL 76 58.173 0.803 3.831 215 HG11 VAL 76 HG11 VAL 76 58.079 2.115 5.628 216 HG12 VAL 76 HG12 VAL 76 56.947 3.220 4.849 217 HG13 VAL 76 HG13 VAL 76 58.682 3.420 4.607 218 HG21 VAL 76 HG21 VAL 76 56.394 1.565 1.952 219 HG22 VAL 76 HG22 VAL 76 55.821 2.505 3.330 220 HG23 VAL 76 HG23 VAL 76 55.951 0.750 3.452 221 H PHE 77 HN PHE 77 60.393 0.404 2.429 222 HA PHE 77 HA PHE 77 62.283 1.264 4.284 223 HB2 PHE 77 HB2 PHE 77 62.075 -1.058 3.322 224 HB3 PHE 77 HB1 PHE 77 62.868 -0.458 1.868 225 HD1 PHE 77 HD2 PHE 77 63.332 -0.843 5.530 226 HD2 PHE 77 HD1 PHE 77 65.188 -0.408 1.726 227 HE1 PHE 77 HE2 PHE 77 65.525 -1.281 6.555 228 HE2 PHE 77 HE1 PHE 77 67.384 -0.846 2.742 229 HZ PHE 77 HZ PHE 77 67.555 -1.283 5.161 230 H CYS 78 HN CYS 78 61.938 1.939 0.864 231 HA CYS 78 HA CYS 78 64.471 3.121 0.499 232 HB2 CYS 78 HB2 CYS 78 62.065 2.769 -1.060 233 HB3 CYS 78 HB1 CYS 78 62.692 4.402 -1.267 234 HG CYS 78 HG CYS 78 64.761 3.490 -2.380 235 H HIS 79 HN HIS 79 61.308 4.492 1.269 236 HA HIS 79 HA HIS 79 62.168 7.174 1.442 237 HB2 HIS 79 HB2 HIS 79 59.892 5.713 2.793 238 HB3 HIS 79 HB1 HIS 79 60.150 7.445 2.952 239 HD1 HIS 79 HD1 HIS 79 59.900 8.851 0.658 240 HD2 HIS 79 HD2 HIS 79 58.563 4.922 0.586 241 HE1 HIS 79 HE1 HIS 79 58.391 8.654 -1.364 242 H SER 80 HN SER 80 62.695 4.421 3.389 243 HA SER 80 HA SER 80 63.147 5.798 5.866 244 HB2 SER 80 HB2 SER 80 64.245 3.076 5.231 245 HB3 SER 80 HB1 SER 80 63.677 3.707 6.777 246 HG SER 80 HG SER 80 61.576 3.574 6.037 247 H LEU 81 HN LEU 81 64.973 5.313 3.035 248 HA LEU 81 HA LEU 81 67.555 5.386 4.249 249 HB2 LEU 81 HB2 LEU 81 66.784 5.968 1.398 250 HB3 LEU 81 HB1 LEU 81 68.400 5.614 1.988 251 HG LEU 81 HG LEU 81 66.253 3.627 2.501 252 HD11 LEU 81 HD11 LEU 81 67.707 3.770 -0.138 253 HD12 LEU 81 HD12 LEU 81 66.054 4.338 0.097 254 HD13 LEU 81 HD13 LEU 81 66.444 2.635 0.340 255 HD21 LEU 81 HD21 LEU 81 68.968 2.933 1.536 256 HD22 LEU 81 HD22 LEU 81 67.973 2.172 2.776 257 HD23 LEU 81 HD23 LEU 81 68.842 3.663 3.137 Start of MODEL 15 1 H1 GLN 49 HT1 GLN 49 35.067 1.543 1.810 2 H2 GLN 49 HT2 GLN 49 35.653 2.718 0.704 3 H3 GLN 49 HT3 GLN 49 34.825 3.211 2.123 4 HA GLN 49 HA GLN 49 37.012 3.581 2.597 5 HB2 GLN 49 HB2 GLN 49 35.512 1.841 4.032 6 HB3 GLN 49 HB1 GLN 49 36.929 0.848 3.721 7 HG2 GLN 49 HG2 GLN 49 37.454 1.841 5.726 8 HG3 GLN 49 HG1 GLN 49 38.253 2.901 4.566 9 HE21 GLN 49 HE21 GLN 49 38.103 4.920 5.208 10 HE22 GLN 49 HE22 GLN 49 36.705 5.677 5.882 11 H MET 50 HN MET 50 37.008 0.094 1.937 12 HA MET 50 HA MET 50 38.479 -1.259 0.849 13 HB2 MET 50 HB2 MET 50 37.795 0.048 -1.102 14 HB3 MET 50 HB1 MET 50 39.015 1.260 -0.736 15 HG2 MET 50 HG2 MET 50 40.695 0.025 -1.584 16 HG3 MET 50 HG1 MET 50 39.994 -1.500 -1.046 17 HE1 MET 50 HE1 MET 50 41.023 0.535 -3.779 18 HE2 MET 50 HE2 MET 50 39.481 1.381 -3.908 19 HE3 MET 50 HE3 MET 50 39.965 0.236 -5.159 20 H GLN 51 HN GLN 51 39.739 -1.409 2.801 21 HA GLN 51 HA GLN 51 42.232 0.148 2.754 22 HB2 GLN 51 HB2 GLN 51 40.489 -0.741 4.886 23 HB3 GLN 51 HB1 GLN 51 42.138 -1.289 5.154 24 HG2 GLN 51 HG2 GLN 51 42.809 0.740 5.738 25 HG3 GLN 51 HG1 GLN 51 42.071 1.473 4.315 26 HE21 GLN 51 HE21 GLN 51 42.198 2.101 7.305 27 HE22 GLN 51 HE22 GLN 51 40.558 2.466 7.711 28 HA PRO 52 HA PRO 52 43.710 -4.439 3.448 29 HB2 PRO 52 HB2 PRO 52 41.345 -5.990 2.597 30 HB3 PRO 52 HB1 PRO 52 42.411 -6.235 3.984 31 HG2 PRO 52 HG2 PRO 52 39.917 -5.308 4.288 32 HG3 PRO 52 HG1 PRO 52 41.250 -4.740 5.309 33 HD2 PRO 52 HD2 PRO 52 39.954 -3.404 2.965 34 HD3 PRO 52 HD1 PRO 52 40.502 -2.704 4.501 35 H LEU 53 HN LEU 53 43.934 -6.399 1.827 36 HA LEU 53 HA LEU 53 44.502 -7.090 -0.262 37 HB2 LEU 53 HB2 LEU 53 41.902 -6.059 -0.463 38 HB3 LEU 53 HB1 LEU 53 42.768 -5.401 -1.838 39 HG LEU 53 HG LEU 53 43.524 -7.901 -2.168 40 HD11 LEU 53 HD11 LEU 53 41.119 -8.092 -0.392 41 HD12 LEU 53 HD12 LEU 53 42.644 -8.973 -0.299 42 HD13 LEU 53 HD13 LEU 53 41.486 -9.348 -1.576 43 HD21 LEU 53 HD21 LEU 53 40.679 -7.389 -2.879 44 HD22 LEU 53 HD22 LEU 53 41.990 -8.040 -3.864 45 HD23 LEU 53 HD23 LEU 53 41.922 -6.312 -3.514 46 H CYS 54 HN CYS 54 45.594 -4.522 0.940 47 HA CYS 54 HA CYS 54 47.363 -3.880 -1.146 48 HB2 CYS 54 HB2 CYS 54 46.678 -1.610 -1.688 49 HB3 CYS 54 HB1 CYS 54 45.381 -2.734 -2.076 50 HG CYS 54 HG CYS 54 44.016 -1.831 -0.115 51 H PHE 55 HN PHE 55 48.288 -1.451 -0.545 52 HA PHE 55 HA PHE 55 48.499 -1.140 2.335 53 HB2 PHE 55 HB2 PHE 55 50.793 -1.974 0.569 54 HB3 PHE 55 HB1 PHE 55 51.062 -1.106 2.076 55 HD1 PHE 55 HD2 PHE 55 49.767 -4.221 0.601 56 HD2 PHE 55 HD1 PHE 55 50.883 -2.196 4.173 57 HE1 PHE 55 HE2 PHE 55 49.674 -6.350 1.833 58 HE2 PHE 55 HE1 PHE 55 50.792 -4.319 5.411 59 HZ PHE 55 HZ PHE 55 50.186 -6.400 4.242 60 H ASN 56 HN ASN 56 49.796 0.816 2.902 61 HA ASN 56 HA ASN 56 49.958 2.764 0.714 62 HB2 ASN 56 HB2 ASN 56 48.515 3.189 3.337 63 HB3 ASN 56 HB1 ASN 56 48.899 4.476 2.199 64 HD21 ASN 56 HD21 ASN 56 46.313 3.844 3.041 65 HD22 ASN 56 HD22 ASN 56 45.421 3.265 1.679 66 H CYS 57 HN CYS 57 51.840 3.798 0.726 67 HA CYS 57 HA CYS 57 53.710 3.442 2.863 68 HB2 CYS 57 HB2 CYS 57 54.584 3.511 0.635 69 HB3 CYS 57 HB1 CYS 57 53.794 5.046 0.306 70 HA PRO 58 HA PRO 58 52.025 6.984 5.091 71 HB2 PRO 58 HB2 PRO 58 53.651 6.746 7.258 72 HB3 PRO 58 HB1 PRO 58 52.208 5.756 7.014 73 HG2 PRO 58 HG2 PRO 58 55.075 5.091 6.463 74 HG3 PRO 58 HG1 PRO 58 53.822 4.092 7.224 75 HD2 PRO 58 HD2 PRO 58 54.530 3.777 4.643 76 HD3 PRO 58 HD1 PRO 58 52.861 3.534 5.197 77 H ILE 59 HN ILE 59 55.162 6.567 3.794 78 HA ILE 59 HA ILE 59 56.198 9.056 4.840 79 HB ILE 59 HB ILE 59 57.387 7.354 2.655 80 HG12 ILE 59 HG12 ILE 59 58.819 7.005 5.049 81 HG13 ILE 59 HG11 ILE 59 57.122 6.855 5.496 82 HG21 ILE 59 HG21 ILE 59 58.523 9.347 2.543 83 HG22 ILE 59 HG22 ILE 59 59.491 8.484 3.738 84 HG23 ILE 59 HG23 ILE 59 58.314 9.688 4.261 85 HD11 ILE 59 HD11 ILE 59 57.973 5.379 3.093 86 HD12 ILE 59 HD12 ILE 59 56.867 4.914 4.384 87 HD13 ILE 59 HD13 ILE 59 58.609 4.813 4.636 88 H CYS 60 HN CYS 60 55.371 7.852 1.550 89 HA CYS 60 HA CYS 60 55.054 10.688 0.794 90 HB2 CYS 60 HB2 CYS 60 55.732 10.189 -1.422 91 HB3 CYS 60 HB1 CYS 60 56.893 9.401 -0.361 92 H ASP 61 HN ASP 61 53.328 7.914 1.419 93 HA ASP 61 HA ASP 61 51.067 7.576 1.345 94 HB2 ASP 61 HB2 ASP 61 50.773 9.786 -0.680 95 HB3 ASP 61 HB1 ASP 61 49.557 9.139 0.415 96 H LYS 62 HN LYS 62 53.147 6.523 -0.528 97 HA LYS 62 HA LYS 62 51.774 6.082 -3.012 98 HB2 LYS 62 HB2 LYS 62 54.409 5.522 -1.920 99 HB3 LYS 62 HB1 LYS 62 53.777 4.158 -2.829 100 HG2 LYS 62 HG2 LYS 62 53.696 6.909 -3.991 101 HG3 LYS 62 HG1 LYS 62 55.175 5.951 -4.048 102 HD2 LYS 62 HD2 LYS 62 53.201 4.187 -4.870 103 HD3 LYS 62 HD1 LYS 62 52.747 5.717 -5.623 104 HE2 LYS 62 HE2 LYS 62 54.687 5.833 -6.868 105 HE3 LYS 62 HE1 LYS 62 55.585 4.801 -5.756 106 HZ1 LYS 62 HZ1 LYS 62 54.620 3.974 -8.096 107 HZ2 LYS 62 HZ2 LYS 62 53.334 3.546 -7.085 108 HZ3 LYS 62 HZ3 LYS 62 54.884 2.944 -6.779 109 H ILE 63 HN ILE 63 50.341 4.534 -3.465 110 HA ILE 63 HA ILE 63 49.729 2.558 -1.414 111 HB ILE 63 HB ILE 63 48.279 3.089 -4.006 112 HG12 ILE 63 HG12 ILE 63 47.714 4.128 -1.222 113 HG13 ILE 63 HG11 ILE 63 48.301 5.085 -2.578 114 HG21 ILE 63 HG21 ILE 63 47.503 1.554 -1.533 115 HG22 ILE 63 HG22 ILE 63 47.780 0.903 -3.148 116 HG23 ILE 63 HG23 ILE 63 46.398 1.956 -2.847 117 HD11 ILE 63 HD11 ILE 63 45.833 5.235 -2.030 118 HD12 ILE 63 HD12 ILE 63 45.699 3.604 -2.686 119 HD13 ILE 63 HD13 ILE 63 46.260 4.923 -3.713 120 H PHE 64 HN PHE 64 49.438 0.318 -1.911 121 HA PHE 64 HA PHE 64 50.666 -0.696 -4.350 122 HB2 PHE 64 HB2 PHE 64 51.717 -1.195 -1.572 123 HB3 PHE 64 HB1 PHE 64 51.997 -2.341 -2.877 124 HD1 PHE 64 HD2 PHE 64 52.685 1.062 -1.671 125 HD2 PHE 64 HD1 PHE 64 53.583 -1.901 -4.591 126 HE1 PHE 64 HE2 PHE 64 54.649 2.363 -2.381 127 HE2 PHE 64 HE1 PHE 64 55.551 -0.607 -5.304 128 HZ PHE 64 HZ PHE 64 56.086 1.526 -4.198 129 HA PRO 65 HA PRO 65 47.290 -3.542 -3.842 130 HB2 PRO 65 HB2 PRO 65 48.137 -5.510 -5.534 131 HB3 PRO 65 HB1 PRO 65 47.403 -4.000 -6.084 132 HG2 PRO 65 HG2 PRO 65 50.288 -4.769 -5.955 133 HG3 PRO 65 HG1 PRO 65 49.421 -3.879 -7.219 134 HD2 PRO 65 HD2 PRO 65 50.979 -2.647 -5.378 135 HD3 PRO 65 HD1 PRO 65 49.532 -1.886 -6.070 136 H ALA 66 HN ALA 66 46.822 -5.600 -2.934 137 HA ALA 66 HA ALA 66 48.349 -6.372 -0.778 138 HB1 ALA 66 HB1 ALA 66 46.584 -7.652 -0.365 139 HB2 ALA 66 HB2 ALA 66 46.899 -8.642 -1.789 140 HB3 ALA 66 HB3 ALA 66 45.934 -7.174 -1.934 141 H THR 67 HN THR 67 48.570 -7.470 -4.102 142 HA THR 67 HA THR 67 50.345 -9.647 -3.508 143 HB THR 67 HB THR 67 50.679 -9.357 -6.137 144 HG1 THR 67 HG1 THR 67 49.489 -7.804 -6.858 145 HG21 THR 67 HG21 THR 67 48.826 -10.814 -4.516 146 HG22 THR 67 HG22 THR 67 49.566 -11.262 -6.054 147 HG23 THR 67 HG23 THR 67 48.064 -10.339 -6.035 148 H GLU 68 HN GLU 68 50.754 -6.339 -3.583 149 HA GLU 68 HA GLU 68 53.516 -6.515 -4.508 150 HB2 GLU 68 HB2 GLU 68 51.483 -4.399 -4.482 151 HB3 GLU 68 HB1 GLU 68 53.084 -3.858 -4.005 152 HG2 GLU 68 HG2 GLU 68 52.578 -3.616 -6.429 153 HG3 GLU 68 HG1 GLU 68 54.029 -4.550 -6.068 154 H LYS 69 HN LYS 69 52.548 -7.495 -1.885 155 HA LYS 69 HA LYS 69 53.221 -5.769 0.203 156 HB2 LYS 69 HB2 LYS 69 52.126 -8.127 0.245 157 HB3 LYS 69 HB1 LYS 69 53.781 -8.717 0.337 158 HG2 LYS 69 HG2 LYS 69 53.469 -6.646 2.257 159 HG3 LYS 69 HG1 LYS 69 52.121 -7.772 2.425 160 HD2 LYS 69 HD2 LYS 69 53.614 -8.863 3.740 161 HD3 LYS 69 HD1 LYS 69 54.117 -9.534 2.187 162 HE2 LYS 69 HE2 LYS 69 55.780 -7.651 2.038 163 HE3 LYS 69 HE1 LYS 69 55.373 -7.258 3.708 164 HZ1 LYS 69 HZ1 LYS 69 56.805 -9.589 2.644 165 HZ2 LYS 69 HZ2 LYS 69 55.918 -9.763 4.073 166 HZ3 LYS 69 HZ3 LYS 69 57.166 -8.626 3.988 167 H GLN 70 HN GLN 70 55.213 -7.832 -1.816 168 HA GLN 70 HA GLN 70 57.604 -7.581 -0.317 169 HB2 GLN 70 HB2 GLN 70 57.078 -9.303 -2.119 170 HB3 GLN 70 HB1 GLN 70 57.447 -8.044 -3.291 171 HG2 GLN 70 HG2 GLN 70 59.374 -9.431 -2.994 172 HG3 GLN 70 HG1 GLN 70 59.700 -7.839 -2.311 173 HE21 GLN 70 HE21 GLN 70 61.425 -9.153 -1.264 174 HE22 GLN 70 HE22 GLN 70 61.052 -9.905 0.246 175 H ILE 71 HN ILE 71 56.384 -5.891 -3.174 176 HA ILE 71 HA ILE 71 58.587 -4.118 -3.401 177 HB ILE 71 HB ILE 71 55.773 -3.720 -4.430 178 HG12 ILE 71 HG12 ILE 71 57.194 -4.489 -6.590 179 HG13 ILE 71 HG11 ILE 71 58.041 -5.400 -5.344 180 HG21 ILE 71 HG21 ILE 71 58.357 -2.549 -5.447 181 HG22 ILE 71 HG22 ILE 71 57.243 -1.704 -4.371 182 HG23 ILE 71 HG23 ILE 71 56.721 -2.173 -5.990 183 HD11 ILE 71 HD11 ILE 71 55.314 -5.782 -4.852 184 HD12 ILE 71 HD12 ILE 71 56.470 -6.945 -5.499 185 HD13 ILE 71 HD13 ILE 71 55.526 -5.937 -6.596 186 H PHE 72 HN PHE 72 55.589 -4.053 -1.605 187 HA PHE 72 HA PHE 72 55.597 -1.295 -0.965 188 HB2 PHE 72 HB2 PHE 72 53.565 -2.589 -0.720 189 HB3 PHE 72 HB1 PHE 72 54.338 -3.653 0.450 190 HD1 PHE 72 HD2 PHE 72 53.664 -0.015 -0.042 191 HD2 PHE 72 HD1 PHE 72 53.896 -3.287 2.668 192 HE1 PHE 72 HE2 PHE 72 52.908 1.450 1.786 193 HE2 PHE 72 HE1 PHE 72 53.138 -1.829 4.500 194 HZ PHE 72 HZ PHE 72 52.645 0.543 4.060 195 H GLU 73 HN GLU 73 57.039 -4.130 0.535 196 HA GLU 73 HA GLU 73 57.891 -2.775 2.898 197 HB2 GLU 73 HB2 GLU 73 58.254 -5.454 1.699 198 HB3 GLU 73 HB1 GLU 73 59.570 -4.908 2.730 199 HG2 GLU 73 HG2 GLU 73 57.675 -4.348 4.411 200 HG3 GLU 73 HG1 GLU 73 56.723 -5.463 3.430 201 H ASP 74 HN ASP 74 59.268 -3.495 -0.243 202 HA ASP 74 HA ASP 74 61.884 -2.593 0.372 203 HB2 ASP 74 HB2 ASP 74 60.417 -3.396 -2.075 204 HB3 ASP 74 HB1 ASP 74 61.803 -2.333 -2.309 205 H HIS 75 HN HIS 75 59.067 -1.118 -1.153 206 HA HIS 75 HA HIS 75 60.170 1.315 -1.909 207 HB2 HIS 75 HB2 HIS 75 57.942 0.670 -2.611 208 HB3 HIS 75 HB1 HIS 75 57.376 0.687 -0.945 209 HD1 HIS 75 HD1 HIS 75 57.555 2.789 -3.894 210 HD2 HIS 75 HD2 HIS 75 57.515 3.390 0.222 211 HE1 HIS 75 HE1 HIS 75 56.925 5.213 -3.529 212 H VAL 76 HN VAL 76 58.448 0.540 1.096 213 HA VAL 76 HA VAL 76 58.899 2.995 2.384 214 HB VAL 76 HB VAL 76 58.582 0.263 3.649 215 HG11 VAL 76 HG11 VAL 76 57.941 2.941 4.864 216 HG12 VAL 76 HG12 VAL 76 59.476 2.111 5.116 217 HG13 VAL 76 HG13 VAL 76 57.972 1.367 5.658 218 HG21 VAL 76 HG21 VAL 76 56.240 0.668 3.723 219 HG22 VAL 76 HG22 VAL 76 56.764 0.967 2.065 220 HG23 VAL 76 HG23 VAL 76 56.444 2.323 3.147 221 H PHE 77 HN PHE 77 60.773 0.052 2.130 222 HA PHE 77 HA PHE 77 62.748 0.548 4.038 223 HB2 PHE 77 HB2 PHE 77 62.324 -1.301 1.898 224 HB3 PHE 77 HB1 PHE 77 63.969 -0.688 1.778 225 HD1 PHE 77 HD2 PHE 77 65.193 -0.561 4.169 226 HD2 PHE 77 HD1 PHE 77 62.020 -3.200 3.131 227 HE1 PHE 77 HE2 PHE 77 65.897 -2.104 5.953 228 HE2 PHE 77 HE1 PHE 77 62.717 -4.746 4.912 229 HZ PHE 77 HZ PHE 77 64.658 -4.199 6.326 230 H CYS 78 HN CYS 78 62.254 1.833 0.828 231 HA CYS 78 HA CYS 78 64.835 2.954 0.526 232 HB2 CYS 78 HB2 CYS 78 62.690 2.650 -1.138 233 HB3 CYS 78 HB1 CYS 78 62.617 4.375 -0.793 234 HG CYS 78 HG CYS 78 64.494 3.102 -2.710 235 H HIS 79 HN HIS 79 61.756 4.259 1.651 236 HA HIS 79 HA HIS 79 62.724 6.851 2.228 237 HB2 HIS 79 HB2 HIS 79 60.424 5.274 3.401 238 HB3 HIS 79 HB1 HIS 79 60.748 6.957 3.796 239 HD1 HIS 79 HD1 HIS 79 60.470 8.690 1.749 240 HD2 HIS 79 HD2 HIS 79 59.033 4.845 1.124 241 HE1 HIS 79 HE1 HIS 79 58.914 8.829 -0.240 242 H SER 80 HN SER 80 63.214 3.796 3.660 243 HA SER 80 HA SER 80 63.766 4.716 6.323 244 HB2 SER 80 HB2 SER 80 63.592 2.177 4.956 245 HB3 SER 80 HB1 SER 80 65.040 2.241 5.959 246 HG SER 80 HG SER 80 62.760 1.632 6.838 247 H LEU 81 HN LEU 81 65.479 4.706 3.391 248 HA LEU 81 HA LEU 81 68.105 4.512 4.492 249 HB2 LEU 81 HB2 LEU 81 67.237 5.588 1.818 250 HB3 LEU 81 HB1 LEU 81 68.869 5.117 2.269 251 HG LEU 81 HG LEU 81 66.696 3.105 2.518 252 HD11 LEU 81 HD11 LEU 81 66.839 2.477 0.209 253 HD12 LEU 81 HD12 LEU 81 68.070 3.701 -0.103 254 HD13 LEU 81 HD13 LEU 81 66.419 4.189 0.281 255 HD21 LEU 81 HD21 LEU 81 69.650 3.136 2.061 256 HD22 LEU 81 HD22 LEU 81 68.701 1.724 1.598 257 HD23 LEU 81 HD23 LEU 81 68.710 2.269 3.275 Start of MODEL 16 1 H1 GLN 49 HT1 GLN 49 31.769 1.860 0.495 2 H2 GLN 49 HT2 GLN 49 33.263 1.777 -0.345 3 H3 GLN 49 HT3 GLN 49 32.960 3.067 0.746 4 HA GLN 49 HA GLN 49 33.073 1.710 2.582 5 HB2 GLN 49 HB2 GLN 49 33.288 -0.768 2.313 6 HB3 GLN 49 HB1 GLN 49 31.742 -0.123 1.774 7 HG2 GLN 49 HG2 GLN 49 32.048 -0.850 -0.302 8 HG3 GLN 49 HG1 GLN 49 33.694 -0.223 -0.367 9 HE21 GLN 49 HE21 GLN 49 34.990 -1.800 -0.974 10 HE22 GLN 49 HE22 GLN 49 34.983 -3.415 -0.361 11 H MET 50 HN MET 50 34.996 0.377 3.370 12 HA MET 50 HA MET 50 37.361 0.973 1.716 13 HB2 MET 50 HB2 MET 50 36.811 1.512 4.593 14 HB3 MET 50 HB1 MET 50 38.450 1.065 4.141 15 HG2 MET 50 HG2 MET 50 38.843 3.018 3.093 16 HG3 MET 50 HG1 MET 50 37.190 3.156 2.497 17 HE1 MET 50 HE1 MET 50 39.051 5.134 6.079 18 HE2 MET 50 HE2 MET 50 39.464 5.327 4.376 19 HE3 MET 50 HE3 MET 50 39.729 3.779 5.178 20 H GLN 51 HN GLN 51 38.948 -0.558 1.593 21 HA GLN 51 HA GLN 51 38.697 -2.979 3.214 22 HB2 GLN 51 HB2 GLN 51 38.048 -2.778 0.395 23 HB3 GLN 51 HB1 GLN 51 39.344 -3.935 0.669 24 HG2 GLN 51 HG2 GLN 51 37.493 -4.519 2.642 25 HG3 GLN 51 HG1 GLN 51 36.514 -4.149 1.224 26 HE21 GLN 51 HE21 GLN 51 35.842 -6.174 0.746 27 HE22 GLN 51 HE22 GLN 51 36.895 -7.458 0.270 28 HA PRO 52 HA PRO 52 43.087 -1.805 3.202 29 HB2 PRO 52 HB2 PRO 52 43.222 -3.893 5.283 30 HB3 PRO 52 HB1 PRO 52 43.694 -2.194 5.364 31 HG2 PRO 52 HG2 PRO 52 41.516 -3.103 6.634 32 HG3 PRO 52 HG1 PRO 52 41.560 -1.489 5.901 33 HD2 PRO 52 HD2 PRO 52 40.303 -4.005 4.869 34 HD3 PRO 52 HD1 PRO 52 39.678 -2.343 4.845 35 H LEU 53 HN LEU 53 42.754 -3.097 1.046 36 HA LEU 53 HA LEU 53 44.036 -5.726 1.256 37 HB2 LEU 53 HB2 LEU 53 41.780 -5.172 -0.032 38 HB3 LEU 53 HB1 LEU 53 42.900 -4.730 -1.308 39 HG LEU 53 HG LEU 53 43.922 -7.065 -0.968 40 HD11 LEU 53 HD11 LEU 53 42.750 -7.474 1.186 41 HD12 LEU 53 HD12 LEU 53 42.505 -8.745 -0.012 42 HD13 LEU 53 HD13 LEU 53 41.232 -7.562 0.293 43 HD21 LEU 53 HD21 LEU 53 41.811 -8.054 -2.216 44 HD22 LEU 53 HD22 LEU 53 42.868 -6.868 -2.982 45 HD23 LEU 53 HD23 LEU 53 41.343 -6.354 -2.260 46 H CYS 54 HN CYS 54 45.482 -3.234 1.510 47 HA CYS 54 HA CYS 54 47.643 -3.785 -0.237 48 HB2 CYS 54 HB2 CYS 54 47.648 -1.719 -1.544 49 HB3 CYS 54 HB1 CYS 54 46.184 -2.643 -1.862 50 HG CYS 54 HG CYS 54 45.036 -0.881 -0.106 51 H PHE 55 HN PHE 55 49.096 -1.540 -0.204 52 HA PHE 55 HA PHE 55 49.035 -0.486 2.527 53 HB2 PHE 55 HB2 PHE 55 51.457 -1.743 1.221 54 HB3 PHE 55 HB1 PHE 55 51.482 -0.850 2.737 55 HD1 PHE 55 HD2 PHE 55 50.279 -1.759 4.716 56 HD2 PHE 55 HD1 PHE 55 50.788 -4.002 1.135 57 HE1 PHE 55 HE2 PHE 55 49.769 -3.829 5.944 58 HE2 PHE 55 HE1 PHE 55 50.278 -6.076 2.357 59 HZ PHE 55 HZ PHE 55 49.768 -5.991 4.765 60 H ASN 56 HN ASN 56 49.030 1.650 2.384 61 HA ASN 56 HA ASN 56 49.992 2.975 -0.006 62 HB2 ASN 56 HB2 ASN 56 48.475 3.841 2.433 63 HB3 ASN 56 HB1 ASN 56 49.229 5.048 1.396 64 HD21 ASN 56 HD21 ASN 56 48.315 5.548 -0.521 65 HD22 ASN 56 HD22 ASN 56 46.838 4.861 -1.100 66 H CYS 57 HN CYS 57 51.835 4.121 -0.207 67 HA CYS 57 HA CYS 57 53.858 3.828 1.792 68 HB2 CYS 57 HB2 CYS 57 54.469 3.771 -0.558 69 HB3 CYS 57 HB1 CYS 57 53.829 5.392 -0.793 70 HA PRO 58 HA PRO 58 52.876 7.679 3.825 71 HB2 PRO 58 HB2 PRO 58 54.526 7.436 5.902 72 HB3 PRO 58 HB1 PRO 58 53.132 6.363 5.719 73 HG2 PRO 58 HG2 PRO 58 56.016 5.836 5.154 74 HG3 PRO 58 HG1 PRO 58 54.797 4.762 5.860 75 HD2 PRO 58 HD2 PRO 58 55.618 4.762 3.193 76 HD3 PRO 58 HD1 PRO 58 54.129 4.025 3.815 77 H ILE 59 HN ILE 59 55.084 7.461 1.668 78 HA ILE 59 HA ILE 59 56.593 9.815 2.585 79 HB ILE 59 HB ILE 59 57.765 7.813 0.675 80 HG12 ILE 59 HG12 ILE 59 57.178 6.746 2.902 81 HG13 ILE 59 HG11 ILE 59 58.879 6.685 2.457 82 HG21 ILE 59 HG21 ILE 59 58.798 10.115 2.293 83 HG22 ILE 59 HG22 ILE 59 58.920 9.832 0.557 84 HG23 ILE 59 HG23 ILE 59 59.881 8.870 1.677 85 HD11 ILE 59 HD11 ILE 59 57.689 8.718 4.324 86 HD12 ILE 59 HD12 ILE 59 59.399 8.459 3.976 87 HD13 ILE 59 HD13 ILE 59 58.476 7.225 4.834 88 H CYS 60 HN CYS 60 55.714 7.960 -0.363 89 HA CYS 60 HA CYS 60 55.458 10.568 -1.727 90 HB2 CYS 60 HB2 CYS 60 56.002 9.508 -3.801 91 HB3 CYS 60 HB1 CYS 60 57.214 9.024 -2.620 92 H ASP 61 HN ASP 61 53.631 8.162 -0.400 93 HA ASP 61 HA ASP 61 51.355 7.937 -0.353 94 HB2 ASP 61 HB2 ASP 61 51.450 10.302 -1.547 95 HB3 ASP 61 HB1 ASP 61 50.936 9.358 -2.943 96 H LYS 62 HN LYS 62 53.475 6.546 -2.210 97 HA LYS 62 HA LYS 62 52.124 5.438 -4.381 98 HB2 LYS 62 HB2 LYS 62 54.577 4.898 -2.909 99 HB3 LYS 62 HB1 LYS 62 53.833 3.425 -3.513 100 HG2 LYS 62 HG2 LYS 62 53.890 5.537 -5.506 101 HG3 LYS 62 HG1 LYS 62 55.497 5.106 -4.919 102 HD2 LYS 62 HD2 LYS 62 54.703 2.665 -5.287 103 HD3 LYS 62 HD1 LYS 62 53.468 3.399 -6.312 104 HE2 LYS 62 HE2 LYS 62 54.945 3.929 -7.929 105 HE3 LYS 62 HE1 LYS 62 56.207 4.358 -6.775 106 HZ1 LYS 62 HZ1 LYS 62 56.580 2.325 -8.234 107 HZ2 LYS 62 HZ2 LYS 62 55.449 1.542 -7.250 108 HZ3 LYS 62 HZ3 LYS 62 56.877 2.150 -6.577 109 H ILE 63 HN ILE 63 51.801 2.887 -4.436 110 HA ILE 63 HA ILE 63 50.444 1.945 -2.030 111 HB ILE 63 HB ILE 63 49.040 1.984 -4.699 112 HG12 ILE 63 HG12 ILE 63 48.570 3.693 -2.245 113 HG13 ILE 63 HG11 ILE 63 49.218 4.253 -3.784 114 HG21 ILE 63 HG21 ILE 63 48.301 0.122 -3.443 115 HG22 ILE 63 HG22 ILE 63 47.069 1.368 -3.239 116 HG23 ILE 63 HG23 ILE 63 48.236 1.061 -1.952 117 HD11 ILE 63 HD11 ILE 63 46.745 2.944 -4.272 118 HD12 ILE 63 HD12 ILE 63 47.171 4.639 -4.512 119 HD13 ILE 63 HD13 ILE 63 46.527 4.103 -2.960 120 H PHE 64 HN PHE 64 50.216 -0.295 -1.906 121 HA PHE 64 HA PHE 64 51.198 -1.919 -4.118 122 HB2 PHE 64 HB2 PHE 64 52.440 -1.879 -1.364 123 HB3 PHE 64 HB1 PHE 64 52.685 -3.187 -2.514 124 HD1 PHE 64 HD2 PHE 64 53.208 0.430 -1.964 125 HD2 PHE 64 HD1 PHE 64 54.267 -3.009 -4.236 126 HE1 PHE 64 HE2 PHE 64 55.074 1.676 -2.972 127 HE2 PHE 64 HE1 PHE 64 56.136 -1.769 -5.248 128 HZ PHE 64 HZ PHE 64 56.540 0.575 -4.615 129 HA PRO 65 HA PRO 65 47.727 -4.404 -2.881 130 HB2 PRO 65 HB2 PRO 65 48.779 -6.835 -3.780 131 HB3 PRO 65 HB1 PRO 65 47.808 -5.712 -4.733 132 HG2 PRO 65 HG2 PRO 65 50.763 -6.068 -4.652 133 HG3 PRO 65 HG1 PRO 65 49.715 -5.664 -6.024 134 HD2 PRO 65 HD2 PRO 65 51.235 -3.807 -4.822 135 HD3 PRO 65 HD1 PRO 65 49.617 -3.420 -5.448 136 H ALA 66 HN ALA 66 47.169 -5.774 -1.221 137 HA ALA 66 HA ALA 66 48.806 -5.906 1.009 138 HB1 ALA 66 HB1 ALA 66 46.491 -6.102 1.352 139 HB2 ALA 66 HB2 ALA 66 47.158 -7.671 1.804 140 HB3 ALA 66 HB3 ALA 66 46.358 -7.469 0.245 141 H THR 67 HN THR 67 48.617 -8.061 -1.709 142 HA THR 67 HA THR 67 49.930 -10.260 -0.411 143 HB THR 67 HB THR 67 50.219 -10.856 -3.007 144 HG1 THR 67 HG1 THR 67 49.216 -9.500 -4.224 145 HG21 THR 67 HG21 THR 67 48.901 -12.220 -1.545 146 HG22 THR 67 HG22 THR 67 47.961 -11.854 -2.993 147 HG23 THR 67 HG23 THR 67 47.629 -11.000 -1.486 148 H GLU 68 HN GLU 68 50.920 -7.370 -1.986 149 HA GLU 68 HA GLU 68 53.622 -8.393 -2.373 150 HB2 GLU 68 HB2 GLU 68 52.218 -5.918 -3.347 151 HB3 GLU 68 HB1 GLU 68 53.961 -6.108 -3.474 152 HG2 GLU 68 HG2 GLU 68 51.872 -7.877 -4.723 153 HG3 GLU 68 HG1 GLU 68 52.898 -6.709 -5.553 154 H LYS 69 HN LYS 69 52.587 -7.926 0.285 155 HA LYS 69 HA LYS 69 53.287 -5.531 1.460 156 HB2 LYS 69 HB2 LYS 69 52.165 -7.281 2.707 157 HB3 LYS 69 HB1 LYS 69 53.568 -8.331 2.566 158 HG2 LYS 69 HG2 LYS 69 53.316 -7.270 4.791 159 HG3 LYS 69 HG1 LYS 69 54.854 -6.918 4.003 160 HD2 LYS 69 HD2 LYS 69 54.401 -4.716 3.822 161 HD3 LYS 69 HD1 LYS 69 52.699 -4.995 3.450 162 HE2 LYS 69 HE2 LYS 69 53.164 -3.816 5.629 163 HE3 LYS 69 HE1 LYS 69 52.145 -5.251 5.737 164 HZ1 LYS 69 HZ1 LYS 69 53.690 -6.369 6.905 165 HZ2 LYS 69 HZ2 LYS 69 54.241 -4.822 7.309 166 HZ3 LYS 69 HZ3 LYS 69 54.996 -5.691 6.070 167 H GLN 70 HN GLN 70 55.338 -8.094 0.301 168 HA GLN 70 HA GLN 70 57.720 -7.309 1.624 169 HB2 GLN 70 HB2 GLN 70 57.017 -9.472 0.164 170 HB3 GLN 70 HB1 GLN 70 57.944 -8.587 -1.038 171 HG2 GLN 70 HG2 GLN 70 59.320 -8.652 1.494 172 HG3 GLN 70 HG1 GLN 70 58.924 -10.277 0.936 173 HE21 GLN 70 HE21 GLN 70 60.804 -7.439 0.393 174 HE22 GLN 70 HE22 GLN 70 61.784 -8.070 -0.882 175 H ILE 71 HN ILE 71 56.282 -6.496 -1.486 176 HA ILE 71 HA ILE 71 58.473 -4.943 -2.425 177 HB ILE 71 HB ILE 71 55.596 -4.621 -3.270 178 HG12 ILE 71 HG12 ILE 71 56.103 -6.987 -3.391 179 HG13 ILE 71 HG11 ILE 71 56.104 -6.319 -5.020 180 HG21 ILE 71 HG21 ILE 71 57.398 -2.984 -4.002 181 HG22 ILE 71 HG22 ILE 71 56.445 -3.742 -5.277 182 HG23 ILE 71 HG23 ILE 71 58.076 -4.318 -4.936 183 HD11 ILE 71 HD11 ILE 71 58.139 -7.773 -3.701 184 HD12 ILE 71 HD12 ILE 71 58.743 -6.144 -4.009 185 HD13 ILE 71 HD13 ILE 71 58.133 -7.125 -5.341 186 H PHE 72 HN PHE 72 55.663 -4.295 -0.456 187 HA PHE 72 HA PHE 72 55.822 -1.450 -0.599 188 HB2 PHE 72 HB2 PHE 72 53.729 -2.543 0.004 189 HB3 PHE 72 HB1 PHE 72 54.482 -3.258 1.425 190 HD1 PHE 72 HD2 PHE 72 53.839 0.074 -0.115 191 HD2 PHE 72 HD1 PHE 72 54.239 -2.204 3.457 192 HE1 PHE 72 HE2 PHE 72 53.200 2.044 1.208 193 HE2 PHE 72 HE1 PHE 72 53.599 -0.236 4.788 194 HZ PHE 72 HZ PHE 72 53.078 1.893 3.663 195 H GLU 73 HN GLU 73 57.262 -3.915 1.416 196 HA GLU 73 HA GLU 73 58.206 -2.122 3.432 197 HB2 GLU 73 HB2 GLU 73 58.000 -4.881 3.169 198 HB3 GLU 73 HB1 GLU 73 59.733 -4.590 3.136 199 HG2 GLU 73 HG2 GLU 73 58.261 -3.159 5.235 200 HG3 GLU 73 HG1 GLU 73 58.282 -4.916 5.382 201 H ASP 74 HN ASP 74 59.473 -3.534 0.484 202 HA ASP 74 HA ASP 74 62.121 -2.578 0.815 203 HB2 ASP 74 HB2 ASP 74 60.556 -3.768 -1.431 204 HB3 ASP 74 HB1 ASP 74 62.069 -2.947 -1.805 205 H HIS 75 HN HIS 75 59.291 -1.407 -0.935 206 HA HIS 75 HA HIS 75 60.458 0.782 -2.206 207 HB2 HIS 75 HB2 HIS 75 58.240 0.050 -2.815 208 HB3 HIS 75 HB1 HIS 75 57.638 0.393 -1.197 209 HD1 HIS 75 HD1 HIS 75 57.925 1.889 -4.495 210 HD2 HIS 75 HD2 HIS 75 57.764 3.268 -0.573 211 HE1 HIS 75 HE1 HIS 75 57.297 4.337 -4.619 212 H VAL 76 HN VAL 76 58.673 0.703 0.863 213 HA VAL 76 HA VAL 76 59.135 3.371 1.593 214 HB VAL 76 HB VAL 76 58.809 0.999 3.442 215 HG11 VAL 76 HG11 VAL 76 57.736 3.601 4.246 216 HG12 VAL 76 HG12 VAL 76 59.494 3.555 4.118 217 HG13 VAL 76 HG13 VAL 76 58.656 2.417 5.174 218 HG21 VAL 76 HG21 VAL 76 56.578 1.012 3.100 219 HG22 VAL 76 HG22 VAL 76 57.035 1.703 1.543 220 HG23 VAL 76 HG23 VAL 76 56.517 2.758 2.857 221 H PHE 77 HN PHE 77 60.969 0.423 2.089 222 HA PHE 77 HA PHE 77 62.934 1.356 3.832 223 HB2 PHE 77 HB2 PHE 77 62.659 -1.026 3.187 224 HB3 PHE 77 HB1 PHE 77 63.283 -0.646 1.585 225 HD1 PHE 77 HD1 PHE 77 65.647 0.318 1.441 226 HD2 PHE 77 HD2 PHE 77 64.103 -1.607 4.908 227 HE1 PHE 77 HE1 PHE 77 67.940 -0.074 2.240 228 HE2 PHE 77 HE2 PHE 77 66.394 -2.001 5.714 229 HZ PHE 77 HZ PHE 77 68.317 -1.235 4.379 230 H CYS 78 HN CYS 78 62.477 1.818 0.401 231 HA CYS 78 HA CYS 78 65.062 2.795 -0.170 232 HB2 CYS 78 HB2 CYS 78 63.416 2.054 -1.908 233 HB3 CYS 78 HB1 CYS 78 62.484 3.511 -1.580 234 HG CYS 78 HG CYS 78 64.430 3.500 -3.627 235 H HIS 79 HN HIS 79 62.031 4.412 0.655 236 HA HIS 79 HA HIS 79 63.069 7.038 0.646 237 HB2 HIS 79 HB2 HIS 79 60.781 5.821 2.209 238 HB3 HIS 79 HB1 HIS 79 61.146 7.542 2.192 239 HD1 HIS 79 HD1 HIS 79 60.931 8.701 -0.283 240 HD2 HIS 79 HD2 HIS 79 59.183 4.970 0.236 241 HE1 HIS 79 HE1 HIS 79 59.275 8.423 -2.177 242 H SER 80 HN SER 80 63.500 4.355 2.711 243 HA SER 80 HA SER 80 64.155 5.809 5.093 244 HB2 SER 80 HB2 SER 80 63.464 3.239 4.641 245 HB3 SER 80 HB1 SER 80 65.216 3.069 4.749 246 HG SER 80 HG SER 80 63.871 2.958 6.768 247 H LEU 81 HN LEU 81 65.799 5.140 2.203 248 HA LEU 81 HA LEU 81 68.442 5.081 3.300 249 HB2 LEU 81 HB2 LEU 81 67.565 5.564 0.461 250 HB3 LEU 81 HB1 LEU 81 69.189 5.155 0.991 251 HG LEU 81 HG LEU 81 66.975 3.310 1.707 252 HD11 LEU 81 HD11 LEU 81 68.289 3.293 -1.010 253 HD12 LEU 81 HD12 LEU 81 66.655 3.881 -0.702 254 HD13 LEU 81 HD13 LEU 81 67.052 2.187 -0.412 255 HD21 LEU 81 HD21 LEU 81 69.807 2.803 0.805 256 HD22 LEU 81 HD22 LEU 81 68.699 1.651 1.552 257 HD23 LEU 81 HD23 LEU 81 69.320 3.011 2.487 Start of MODEL 17 1 H1 GLN 49 HT1 GLN 49 36.964 5.155 2.082 2 H2 GLN 49 HT2 GLN 49 38.123 5.111 0.816 3 H3 GLN 49 HT3 GLN 49 38.590 5.599 2.394 4 HA GLN 49 HA GLN 49 37.955 3.384 3.188 5 HB2 GLN 49 HB2 GLN 49 37.030 3.267 0.469 6 HB3 GLN 49 HB1 GLN 49 38.217 1.996 0.733 7 HG2 GLN 49 HG2 GLN 49 36.789 0.785 1.919 8 HG3 GLN 49 HG1 GLN 49 36.334 2.164 2.918 9 HE21 GLN 49 HE21 GLN 49 34.596 0.121 1.984 10 HE22 GLN 49 HE22 GLN 49 33.418 0.864 0.963 11 H MET 50 HN MET 50 39.623 1.782 3.359 12 HA MET 50 HA MET 50 42.192 2.709 2.257 13 HB2 MET 50 HB2 MET 50 41.366 1.778 4.917 14 HB3 MET 50 HB1 MET 50 42.855 1.047 4.336 15 HG2 MET 50 HG2 MET 50 43.650 2.888 5.437 16 HG3 MET 50 HG1 MET 50 43.525 3.498 3.788 17 HE1 MET 50 HE1 MET 50 40.270 3.487 6.658 18 HE2 MET 50 HE2 MET 50 41.383 4.533 7.539 19 HE3 MET 50 HE3 MET 50 41.902 2.927 7.026 20 H GLN 51 HN GLN 51 40.102 -0.054 2.749 21 HA GLN 51 HA GLN 51 40.085 -2.144 1.855 22 HB2 GLN 51 HB2 GLN 51 41.547 -0.516 -0.122 23 HB3 GLN 51 HB1 GLN 51 41.817 -2.250 -0.241 24 HG2 GLN 51 HG2 GLN 51 40.031 -1.716 -1.694 25 HG3 GLN 51 HG1 GLN 51 39.337 -2.546 -0.301 26 HE21 GLN 51 HE21 GLN 51 38.986 0.012 -2.335 27 HE22 GLN 51 HE22 GLN 51 37.981 1.023 -1.359 28 HA PRO 52 HA PRO 52 43.734 -3.653 4.050 29 HB2 PRO 52 HB2 PRO 52 42.703 -6.024 4.788 30 HB3 PRO 52 HB1 PRO 52 42.258 -4.516 5.596 31 HG2 PRO 52 HG2 PRO 52 40.771 -6.056 3.505 32 HG3 PRO 52 HG1 PRO 52 40.151 -5.269 4.968 33 HD2 PRO 52 HD2 PRO 52 39.992 -4.165 2.470 34 HD3 PRO 52 HD1 PRO 52 40.055 -3.209 3.965 35 H LEU 53 HN LEU 53 42.433 -4.577 1.118 36 HA LEU 53 HA LEU 53 43.994 -6.984 0.761 37 HB2 LEU 53 HB2 LEU 53 41.685 -6.100 -0.353 38 HB3 LEU 53 HB1 LEU 53 42.833 -5.651 -1.599 39 HG LEU 53 HG LEU 53 43.599 -8.208 -1.142 40 HD11 LEU 53 HD11 LEU 53 41.611 -9.596 -0.948 41 HD12 LEU 53 HD12 LEU 53 40.612 -8.157 -0.743 42 HD13 LEU 53 HD13 LEU 53 41.808 -8.581 0.481 43 HD21 LEU 53 HD21 LEU 53 41.777 -8.624 -3.065 44 HD22 LEU 53 HD22 LEU 53 43.302 -7.784 -3.342 45 HD23 LEU 53 HD23 LEU 53 41.822 -6.861 -3.077 46 H CYS 54 HN CYS 54 44.969 -3.944 1.012 47 HA CYS 54 HA CYS 54 47.269 -4.374 -0.701 48 HB2 CYS 54 HB2 CYS 54 45.596 -1.867 -0.990 49 HB3 CYS 54 HB1 CYS 54 47.095 -2.225 -1.838 50 HG CYS 54 HG CYS 54 44.745 -2.722 -3.181 51 H PHE 55 HN PHE 55 48.559 -2.044 -0.519 52 HA PHE 55 HA PHE 55 48.485 -1.128 2.250 53 HB2 PHE 55 HB2 PHE 55 51.034 -2.155 0.985 54 HB3 PHE 55 HB1 PHE 55 50.838 -1.546 2.625 55 HD1 PHE 55 HD1 PHE 55 48.770 -2.841 3.875 56 HD2 PHE 55 HD2 PHE 55 51.294 -4.417 0.833 57 HE1 PHE 55 HE1 PHE 55 48.293 -5.122 4.666 58 HE2 PHE 55 HE2 PHE 55 50.820 -6.700 1.617 59 HZ PHE 55 HZ PHE 55 49.318 -7.055 3.536 60 H ASN 56 HN ASN 56 48.739 1.010 2.338 61 HA ASN 56 HA ASN 56 49.752 2.377 -0.054 62 HB2 ASN 56 HB2 ASN 56 48.184 3.570 2.238 63 HB3 ASN 56 HB1 ASN 56 48.528 4.319 0.682 64 HD21 ASN 56 HD21 ASN 56 46.072 4.485 1.029 65 HD22 ASN 56 HD22 ASN 56 45.134 3.235 0.294 66 H CYS 57 HN CYS 57 51.541 3.600 -0.013 67 HA CYS 57 HA CYS 57 53.255 3.492 2.276 68 HB2 CYS 57 HB2 CYS 57 54.316 3.388 0.147 69 HB3 CYS 57 HB1 CYS 57 53.483 4.829 -0.420 70 HA PRO 58 HA PRO 58 51.372 7.169 4.057 71 HB2 PRO 58 HB2 PRO 58 52.855 7.191 6.331 72 HB3 PRO 58 HB1 PRO 58 51.478 6.111 6.086 73 HG2 PRO 58 HG2 PRO 58 54.404 5.549 5.781 74 HG3 PRO 58 HG1 PRO 58 53.148 4.557 6.545 75 HD2 PRO 58 HD2 PRO 58 54.050 4.070 4.046 76 HD3 PRO 58 HD1 PRO 58 52.368 3.761 4.524 77 H ILE 59 HN ILE 59 54.647 6.735 3.082 78 HA ILE 59 HA ILE 59 55.532 9.335 3.936 79 HB ILE 59 HB ILE 59 56.873 7.553 1.909 80 HG12 ILE 59 HG12 ILE 59 58.227 7.283 4.315 81 HG13 ILE 59 HG11 ILE 59 56.534 7.245 4.797 82 HG21 ILE 59 HG21 ILE 59 57.825 9.701 1.828 83 HG22 ILE 59 HG22 ILE 59 58.905 8.760 2.854 84 HG23 ILE 59 HG23 ILE 59 57.760 9.886 3.579 85 HD11 ILE 59 HD11 ILE 59 57.723 5.040 4.232 86 HD12 ILE 59 HD12 ILE 59 57.518 5.537 2.553 87 HD13 ILE 59 HD13 ILE 59 56.106 5.320 3.585 88 H CYS 60 HN CYS 60 54.889 7.885 0.705 89 HA CYS 60 HA CYS 60 54.570 10.651 -0.275 90 HB2 CYS 60 HB2 CYS 60 55.260 9.956 -2.437 91 HB3 CYS 60 HB1 CYS 60 56.410 9.266 -1.298 92 H ASP 61 HN ASP 61 52.762 8.060 0.647 93 HA ASP 61 HA ASP 61 50.516 7.690 0.512 94 HB2 ASP 61 HB2 ASP 61 50.577 10.271 -0.154 95 HB3 ASP 61 HB1 ASP 61 50.094 9.622 -1.718 96 H LYS 62 HN LYS 62 52.468 6.275 -1.009 97 HA LYS 62 HA LYS 62 51.358 5.787 -3.622 98 HB2 LYS 62 HB2 LYS 62 53.820 5.255 -2.312 99 HB3 LYS 62 HB1 LYS 62 53.157 3.710 -2.826 100 HG2 LYS 62 HG2 LYS 62 53.117 5.905 -4.805 101 HG3 LYS 62 HG1 LYS 62 54.690 5.223 -4.390 102 HD2 LYS 62 HD2 LYS 62 53.249 2.963 -4.721 103 HD3 LYS 62 HD1 LYS 62 52.434 4.030 -5.865 104 HE2 LYS 62 HE2 LYS 62 55.014 4.573 -6.443 105 HE3 LYS 62 HE1 LYS 62 55.150 2.890 -5.934 106 HZ1 LYS 62 HZ1 LYS 62 53.630 2.219 -7.594 107 HZ2 LYS 62 HZ2 LYS 62 54.729 3.252 -8.359 108 HZ3 LYS 62 HZ3 LYS 62 53.186 3.813 -7.954 109 H ILE 63 HN ILE 63 51.320 3.164 -4.055 110 HA ILE 63 HA ILE 63 49.755 1.860 -1.969 111 HB ILE 63 HB ILE 63 48.673 2.163 -4.768 112 HG12 ILE 63 HG12 ILE 63 47.783 3.483 -2.195 113 HG13 ILE 63 HG11 ILE 63 48.571 4.290 -3.546 114 HG21 ILE 63 HG21 ILE 63 47.619 0.273 -4.158 115 HG22 ILE 63 HG22 ILE 63 46.602 1.361 -3.211 116 HG23 ILE 63 HG23 ILE 63 47.950 0.520 -2.443 117 HD11 ILE 63 HD11 ILE 63 46.238 2.880 -4.444 118 HD12 ILE 63 HD12 ILE 63 46.633 4.595 -4.563 119 HD13 ILE 63 HD13 ILE 63 45.839 3.971 -3.117 120 H PHE 64 HN PHE 64 49.735 -0.371 -2.087 121 HA PHE 64 HA PHE 64 50.967 -1.704 -4.355 122 HB2 PHE 64 HB2 PHE 64 52.138 -1.735 -1.574 123 HB3 PHE 64 HB1 PHE 64 52.511 -2.965 -2.777 124 HD1 PHE 64 HD1 PHE 64 52.698 0.670 -2.094 125 HD2 PHE 64 HD2 PHE 64 54.153 -2.600 -4.396 126 HE1 PHE 64 HE1 PHE 64 54.488 2.101 -2.987 127 HE2 PHE 64 HE2 PHE 64 55.946 -1.174 -5.294 128 HZ PHE 64 HZ PHE 64 56.115 1.178 -4.587 129 HA PRO 65 HA PRO 65 47.616 -4.496 -3.401 130 HB2 PRO 65 HB2 PRO 65 48.879 -6.730 -4.559 131 HB3 PRO 65 HB1 PRO 65 47.747 -5.634 -5.353 132 HG2 PRO 65 HG2 PRO 65 50.716 -5.683 -5.446 133 HG3 PRO 65 HG1 PRO 65 49.558 -5.209 -6.699 134 HD2 PRO 65 HD2 PRO 65 50.983 -3.389 -5.333 135 HD3 PRO 65 HD1 PRO 65 49.307 -3.073 -5.833 136 H ALA 66 HN ALA 66 47.184 -6.189 -1.978 137 HA ALA 66 HA ALA 66 48.849 -6.401 0.248 138 HB1 ALA 66 HB1 ALA 66 46.661 -6.856 0.754 139 HB2 ALA 66 HB2 ALA 66 47.326 -8.488 0.697 140 HB3 ALA 66 HB3 ALA 66 46.422 -7.856 -0.679 141 H THR 67 HN THR 67 48.748 -8.262 -2.684 142 HA THR 67 HA THR 67 50.243 -10.485 -1.653 143 HB THR 67 HB THR 67 50.501 -10.795 -4.295 144 HG1 THR 67 HG1 THR 67 49.588 -8.832 -4.864 145 HG21 THR 67 HG21 THR 67 48.171 -11.799 -4.320 146 HG22 THR 67 HG22 THR 67 48.057 -11.291 -2.636 147 HG23 THR 67 HG23 THR 67 49.308 -12.431 -3.130 148 H GLU 68 HN GLU 68 50.996 -7.378 -2.900 149 HA GLU 68 HA GLU 68 53.740 -8.158 -3.488 150 HB2 GLU 68 HB2 GLU 68 52.132 -5.691 -4.079 151 HB3 GLU 68 HB1 GLU 68 53.883 -5.696 -4.232 152 HG2 GLU 68 HG2 GLU 68 53.693 -7.584 -5.819 153 HG3 GLU 68 HG1 GLU 68 51.938 -7.440 -5.726 154 H LYS 69 HN LYS 69 52.830 -8.177 -0.773 155 HA LYS 69 HA LYS 69 53.432 -5.909 0.706 156 HB2 LYS 69 HB2 LYS 69 52.441 -8.113 1.516 157 HB3 LYS 69 HB1 LYS 69 54.093 -8.709 1.606 158 HG2 LYS 69 HG2 LYS 69 53.480 -6.152 2.973 159 HG3 LYS 69 HG1 LYS 69 52.862 -7.640 3.689 160 HD2 LYS 69 HD2 LYS 69 55.625 -7.920 2.868 161 HD3 LYS 69 HD1 LYS 69 55.414 -6.574 3.990 162 HE2 LYS 69 HE2 LYS 69 54.084 -9.160 4.618 163 HE3 LYS 69 HE1 LYS 69 55.829 -9.043 4.841 164 HZ1 LYS 69 HZ1 LYS 69 54.172 -8.408 6.748 165 HZ2 LYS 69 HZ2 LYS 69 54.145 -6.918 5.949 166 HZ3 LYS 69 HZ3 LYS 69 55.608 -7.543 6.523 167 H GLN 70 HN GLN 70 55.544 -8.140 -0.901 168 HA GLN 70 HA GLN 70 57.923 -7.526 0.516 169 HB2 GLN 70 HB2 GLN 70 57.572 -9.541 -0.938 170 HB3 GLN 70 HB1 GLN 70 57.693 -8.482 -2.338 171 HG2 GLN 70 HG2 GLN 70 59.955 -7.879 -0.893 172 HG3 GLN 70 HG1 GLN 70 59.778 -9.619 -0.671 173 HE21 GLN 70 HE21 GLN 70 59.899 -7.084 -3.119 174 HE22 GLN 70 HE22 GLN 70 60.566 -8.071 -4.370 175 H ILE 71 HN ILE 71 56.614 -6.382 -2.569 176 HA ILE 71 HA ILE 71 58.688 -4.522 -3.078 177 HB ILE 71 HB ILE 71 55.854 -4.393 -4.113 178 HG12 ILE 71 HG12 ILE 71 57.991 -5.589 -5.774 179 HG13 ILE 71 HG11 ILE 71 57.465 -6.557 -4.401 180 HG21 ILE 71 HG21 ILE 71 56.626 -2.989 -5.781 181 HG22 ILE 71 HG22 ILE 71 58.301 -3.498 -5.578 182 HG23 ILE 71 HG23 ILE 71 57.547 -2.446 -4.379 183 HD11 ILE 71 HD11 ILE 71 56.282 -6.419 -6.900 184 HD12 ILE 71 HD12 ILE 71 55.213 -5.490 -5.849 185 HD13 ILE 71 HD13 ILE 71 55.611 -7.161 -5.447 186 H PHE 72 HN PHE 72 55.696 -4.373 -1.281 187 HA PHE 72 HA PHE 72 55.558 -1.547 -1.052 188 HB2 PHE 72 HB2 PHE 72 53.580 -2.888 -0.664 189 HB3 PHE 72 HB1 PHE 72 54.372 -3.747 0.652 190 HD1 PHE 72 HD2 PHE 72 53.392 -0.301 -0.368 191 HD2 PHE 72 HD1 PHE 72 54.019 -3.050 2.819 192 HE1 PHE 72 HE2 PHE 72 52.525 1.358 1.229 193 HE2 PHE 72 HE1 PHE 72 53.154 -1.396 4.422 194 HZ PHE 72 HZ PHE 72 52.406 0.812 3.628 195 H GLU 73 HN GLU 73 57.137 -4.076 0.800 196 HA GLU 73 HA GLU 73 57.861 -2.395 2.995 197 HB2 GLU 73 HB2 GLU 73 58.368 -5.178 2.148 198 HB3 GLU 73 HB1 GLU 73 59.655 -4.444 3.095 199 HG2 GLU 73 HG2 GLU 73 57.836 -3.798 4.757 200 HG3 GLU 73 HG1 GLU 73 56.803 -4.926 3.879 201 H ASP 74 HN ASP 74 59.302 -3.368 -0.041 202 HA ASP 74 HA ASP 74 61.877 -2.303 0.485 203 HB2 ASP 74 HB2 ASP 74 61.334 -4.032 -1.273 204 HB3 ASP 74 HB1 ASP 74 60.616 -2.735 -2.225 205 H HIS 75 HN HIS 75 59.013 -1.097 -1.189 206 HA HIS 75 HA HIS 75 60.042 1.314 -2.131 207 HB2 HIS 75 HB2 HIS 75 57.876 0.529 -2.861 208 HB3 HIS 75 HB1 HIS 75 57.247 0.621 -1.219 209 HD1 HIS 75 HD1 HIS 75 57.429 2.541 -4.293 210 HD2 HIS 75 HD2 HIS 75 57.208 3.401 -0.228 211 HE1 HIS 75 HE1 HIS 75 56.640 4.939 -4.107 212 H VAL 76 HN VAL 76 58.249 0.702 0.870 213 HA VAL 76 HA VAL 76 58.546 3.271 1.966 214 HB VAL 76 HB VAL 76 58.331 0.654 3.468 215 HG11 VAL 76 HG11 VAL 76 58.073 1.817 5.368 216 HG12 VAL 76 HG12 VAL 76 57.086 3.054 4.589 217 HG13 VAL 76 HG13 VAL 76 58.845 3.137 4.490 218 HG21 VAL 76 HG21 VAL 76 55.932 2.312 3.113 219 HG22 VAL 76 HG22 VAL 76 56.128 0.560 3.032 220 HG23 VAL 76 HG23 VAL 76 56.542 1.560 1.639 221 H PHE 77 HN PHE 77 60.559 0.405 2.033 222 HA PHE 77 HA PHE 77 62.432 1.162 3.956 223 HB2 PHE 77 HB2 PHE 77 62.222 -0.846 1.884 224 HB3 PHE 77 HB1 PHE 77 63.860 -0.206 1.952 225 HD1 PHE 77 HD1 PHE 77 64.545 0.200 4.615 226 HD2 PHE 77 HD2 PHE 77 61.986 -2.808 3.031 227 HE1 PHE 77 HE1 PHE 77 65.026 -1.227 6.561 228 HE2 PHE 77 HE2 PHE 77 62.461 -4.241 4.974 229 HZ PHE 77 HZ PHE 77 63.982 -3.451 6.742 230 H CYS 78 HN CYS 78 62.011 2.134 0.625 231 HA CYS 78 HA CYS 78 64.550 3.349 0.321 232 HB2 CYS 78 HB2 CYS 78 62.179 3.040 -1.262 233 HB3 CYS 78 HB1 CYS 78 62.670 4.730 -1.297 234 HG CYS 78 HG CYS 78 64.423 2.383 -2.333 235 H HIS 79 HN HIS 79 61.378 4.584 1.245 236 HA HIS 79 HA HIS 79 62.191 7.262 1.642 237 HB2 HIS 79 HB2 HIS 79 59.951 5.644 2.874 238 HB3 HIS 79 HB1 HIS 79 60.174 7.365 3.164 239 HD1 HIS 79 HD1 HIS 79 59.867 8.940 0.992 240 HD2 HIS 79 HD2 HIS 79 58.634 4.994 0.610 241 HE1 HIS 79 HE1 HIS 79 58.355 8.862 -1.035 242 H SER 80 HN SER 80 62.786 4.354 3.324 243 HA SER 80 HA SER 80 63.219 5.499 5.919 244 HB2 SER 80 HB2 SER 80 62.691 3.012 5.211 245 HB3 SER 80 HB1 SER 80 64.448 2.900 5.111 246 HG SER 80 HG SER 80 63.018 3.828 7.380 247 H LEU 81 HN LEU 81 65.019 5.361 3.044 248 HA LEU 81 HA LEU 81 67.616 5.367 4.233 249 HB2 LEU 81 HB2 LEU 81 66.786 6.191 1.459 250 HB3 LEU 81 HB1 LEU 81 68.423 5.839 1.992 251 HG LEU 81 HG LEU 81 66.346 3.744 2.339 252 HD11 LEU 81 HD11 LEU 81 67.761 4.202 -0.285 253 HD12 LEU 81 HD12 LEU 81 66.082 4.647 0.019 254 HD13 LEU 81 HD13 LEU 81 66.572 2.954 0.092 255 HD21 LEU 81 HD21 LEU 81 68.777 3.636 3.118 256 HD22 LEU 81 HD22 LEU 81 69.189 3.462 1.412 257 HD23 LEU 81 HD23 LEU 81 68.158 2.265 2.196 Start of MODEL 18 1 H1 GLN 49 HT1 GLN 49 32.813 -3.053 8.767 2 H2 GLN 49 HT2 GLN 49 32.870 -3.206 7.059 3 H3 GLN 49 HT3 GLN 49 32.750 -1.653 7.780 4 HA GLN 49 HA GLN 49 34.887 -1.760 8.629 5 HB2 GLN 49 HB2 GLN 49 36.244 -3.786 8.469 6 HB3 GLN 49 HB1 GLN 49 34.754 -4.107 9.346 7 HG2 GLN 49 HG2 GLN 49 33.798 -5.025 7.235 8 HG3 GLN 49 HG1 GLN 49 35.392 -4.853 6.504 9 HE21 GLN 49 HE21 GLN 49 37.182 -5.855 7.904 10 HE22 GLN 49 HE22 GLN 49 36.852 -7.436 8.517 11 H MET 50 HN MET 50 36.076 -0.545 7.320 12 HA MET 50 HA MET 50 35.936 -0.994 4.437 13 HB2 MET 50 HB2 MET 50 36.291 1.319 6.170 14 HB3 MET 50 HB1 MET 50 37.475 1.280 4.871 15 HG2 MET 50 HG2 MET 50 35.674 1.106 3.232 16 HG3 MET 50 HG1 MET 50 34.488 1.143 4.534 17 HE1 MET 50 HE1 MET 50 33.273 3.876 3.434 18 HE2 MET 50 HE2 MET 50 34.013 2.675 2.374 19 HE3 MET 50 HE3 MET 50 34.506 4.365 2.270 20 H GLN 51 HN GLN 51 37.397 -2.384 3.682 21 HA GLN 51 HA GLN 51 40.134 -2.273 4.758 22 HB2 GLN 51 HB2 GLN 51 38.483 -4.493 3.619 23 HB3 GLN 51 HB1 GLN 51 40.235 -4.573 3.491 24 HG2 GLN 51 HG2 GLN 51 39.285 -3.902 6.166 25 HG3 GLN 51 HG1 GLN 51 38.749 -5.480 5.591 26 HE21 GLN 51 HE21 GLN 51 41.069 -3.998 7.301 27 HE22 GLN 51 HE22 GLN 51 42.384 -5.092 7.054 28 HA PRO 52 HA PRO 52 40.719 -0.128 0.746 29 HB2 PRO 52 HB2 PRO 52 43.458 -0.138 1.932 30 HB3 PRO 52 HB1 PRO 52 42.580 1.177 1.140 31 HG2 PRO 52 HG2 PRO 52 42.825 1.120 3.788 32 HG3 PRO 52 HG1 PRO 52 41.311 1.644 3.027 33 HD2 PRO 52 HD2 PRO 52 41.958 -0.928 4.391 34 HD3 PRO 52 HD1 PRO 52 40.429 -0.028 4.341 35 H LEU 53 HN LEU 53 42.548 -2.757 2.191 36 HA LEU 53 HA LEU 53 43.650 -4.543 1.312 37 HB2 LEU 53 HB2 LEU 53 41.444 -3.981 -0.557 38 HB3 LEU 53 HB1 LEU 53 42.741 -4.955 -1.223 39 HG LEU 53 HG LEU 53 42.200 -6.102 1.270 40 HD11 LEU 53 HD11 LEU 53 39.688 -5.230 -0.131 41 HD12 LEU 53 HD12 LEU 53 40.134 -5.014 1.562 42 HD13 LEU 53 HD13 LEU 53 39.739 -6.621 0.953 43 HD21 LEU 53 HD21 LEU 53 41.135 -7.890 -0.230 44 HD22 LEU 53 HD22 LEU 53 42.825 -7.471 -0.512 45 HD23 LEU 53 HD23 LEU 53 41.569 -6.829 -1.570 46 H CYS 54 HN CYS 54 45.106 -2.251 1.172 47 HA CYS 54 HA CYS 54 46.979 -2.842 -0.863 48 HB2 CYS 54 HB2 CYS 54 44.934 -0.811 -1.457 49 HB3 CYS 54 HB1 CYS 54 46.588 -0.267 -1.716 50 HG CYS 54 HG CYS 54 46.481 -1.430 -3.854 51 H PHE 55 HN PHE 55 48.560 -0.810 -1.069 52 HA PHE 55 HA PHE 55 48.811 0.605 1.466 53 HB2 PHE 55 HB2 PHE 55 50.780 -1.426 0.443 54 HB3 PHE 55 HB1 PHE 55 51.303 -0.100 1.474 55 HD1 PHE 55 HD1 PHE 55 50.089 0.172 3.725 56 HD2 PHE 55 HD2 PHE 55 49.952 -3.376 1.380 57 HE1 PHE 55 HE1 PHE 55 49.430 -1.115 5.717 58 HE2 PHE 55 HE2 PHE 55 49.293 -4.670 3.365 59 HZ PHE 55 HZ PHE 55 49.031 -3.538 5.538 60 H ASN 56 HN ASN 56 49.516 2.633 1.151 61 HA ASN 56 HA ASN 56 50.572 3.300 -1.509 62 HB2 ASN 56 HB2 ASN 56 49.338 5.162 0.530 63 HB3 ASN 56 HB1 ASN 56 49.763 5.554 -1.134 64 HD21 ASN 56 HD21 ASN 56 47.785 6.060 -1.892 65 HD22 ASN 56 HD22 ASN 56 46.466 4.950 -1.985 66 H CYS 57 HN CYS 57 52.524 4.199 -1.770 67 HA CYS 57 HA CYS 57 54.355 4.222 0.429 68 HB2 CYS 57 HB2 CYS 57 55.143 3.538 -1.754 69 HB3 CYS 57 HB1 CYS 57 54.665 5.080 -2.449 70 HA PRO 58 HA PRO 58 53.568 8.511 1.411 71 HB2 PRO 58 HB2 PRO 58 55.028 8.660 3.637 72 HB3 PRO 58 HB1 PRO 58 53.544 7.700 3.580 73 HG2 PRO 58 HG2 PRO 58 56.391 6.800 3.410 74 HG3 PRO 58 HG1 PRO 58 55.033 6.063 4.278 75 HD2 PRO 58 HD2 PRO 58 55.959 5.238 1.804 76 HD3 PRO 58 HD1 PRO 58 54.333 4.919 2.435 77 H ILE 59 HN ILE 59 55.943 7.618 -0.396 78 HA ILE 59 HA ILE 59 57.538 10.042 0.089 79 HB ILE 59 HB ILE 59 58.676 7.456 -0.971 80 HG12 ILE 59 HG12 ILE 59 59.949 7.779 1.359 81 HG13 ILE 59 HG11 ILE 59 58.425 8.548 1.788 82 HG21 ILE 59 HG21 ILE 59 60.038 9.110 -1.815 83 HG22 ILE 59 HG22 ILE 59 60.821 8.771 -0.271 84 HG23 ILE 59 HG23 ILE 59 59.772 10.180 -0.438 85 HD11 ILE 59 HD11 ILE 59 57.255 6.484 1.075 86 HD12 ILE 59 HD12 ILE 59 58.347 6.255 2.441 87 HD13 ILE 59 HD13 ILE 59 58.829 5.729 0.827 88 H CYS 60 HN CYS 60 56.815 7.560 -2.407 89 HA CYS 60 HA CYS 60 56.923 9.755 -4.378 90 HB2 CYS 60 HB2 CYS 60 57.657 8.236 -6.043 91 HB3 CYS 60 HB1 CYS 60 58.635 7.915 -4.616 92 H ASP 61 HN ASP 61 54.819 7.697 -2.800 93 HA ASP 61 HA ASP 61 52.526 7.658 -2.962 94 HB2 ASP 61 HB2 ASP 61 52.977 9.617 -4.745 95 HB3 ASP 61 HB1 ASP 61 52.399 8.364 -5.839 96 H LYS 62 HN LYS 62 54.724 5.754 -4.216 97 HA LYS 62 HA LYS 62 53.381 4.195 -6.135 98 HB2 LYS 62 HB2 LYS 62 55.805 3.954 -4.508 99 HB3 LYS 62 HB1 LYS 62 55.040 2.410 -4.849 100 HG2 LYS 62 HG2 LYS 62 55.259 4.159 -7.180 101 HG3 LYS 62 HG1 LYS 62 56.809 3.689 -6.481 102 HD2 LYS 62 HD2 LYS 62 55.283 1.350 -6.503 103 HD3 LYS 62 HD1 LYS 62 54.945 2.131 -8.048 104 HE2 LYS 62 HE2 LYS 62 57.015 1.750 -8.829 105 HE3 LYS 62 HE1 LYS 62 57.773 2.145 -7.288 106 HZ1 LYS 62 HZ1 LYS 62 57.136 -0.059 -6.478 107 HZ2 LYS 62 HZ2 LYS 62 58.140 -0.159 -7.835 108 HZ3 LYS 62 HZ3 LYS 62 56.479 -0.433 -7.993 109 H ILE 63 HN ILE 63 51.770 2.749 -5.943 110 HA ILE 63 HA ILE 63 51.043 1.888 -3.220 111 HB ILE 63 HB ILE 63 49.143 2.084 -5.549 112 HG12 ILE 63 HG12 ILE 63 48.452 4.086 -3.775 113 HG13 ILE 63 HG11 ILE 63 50.210 4.173 -3.794 114 HG21 ILE 63 HG21 ILE 63 48.580 0.552 -3.671 115 HG22 ILE 63 HG22 ILE 63 47.420 1.860 -3.903 116 HG23 ILE 63 HG23 ILE 63 48.596 1.946 -2.590 117 HD11 ILE 63 HD11 ILE 63 49.535 5.646 -5.458 118 HD12 ILE 63 HD12 ILE 63 48.290 4.549 -6.056 119 HD13 ILE 63 HD13 ILE 63 49.993 4.189 -6.340 120 H PHE 64 HN PHE 64 50.425 -0.218 -2.856 121 HA PHE 64 HA PHE 64 50.577 -2.120 -5.070 122 HB2 PHE 64 HB2 PHE 64 51.862 -3.051 -2.576 123 HB3 PHE 64 HB1 PHE 64 52.294 -3.366 -4.251 124 HD1 PHE 64 HD1 PHE 64 52.329 -0.603 -1.749 125 HD2 PHE 64 HD2 PHE 64 54.228 -2.449 -5.079 126 HE1 PHE 64 HE1 PHE 64 54.211 0.969 -1.544 127 HE2 PHE 64 HE2 PHE 64 56.113 -0.881 -4.881 128 HZ PHE 64 HZ PHE 64 56.107 0.828 -3.109 129 HA PRO 65 HA PRO 65 47.259 -4.283 -3.141 130 HB2 PRO 65 HB2 PRO 65 48.758 -6.807 -2.905 131 HB3 PRO 65 HB1 PRO 65 47.320 -6.442 -3.862 132 HG2 PRO 65 HG2 PRO 65 49.727 -6.821 -4.998 133 HG3 PRO 65 HG1 PRO 65 48.545 -5.674 -5.655 134 HD2 PRO 65 HD2 PRO 65 50.992 -5.149 -4.015 135 HD3 PRO 65 HD1 PRO 65 50.335 -4.231 -5.388 136 H ALA 66 HN ALA 66 46.486 -5.322 -1.192 137 HA ALA 66 HA ALA 66 47.882 -4.452 1.127 138 HB1 ALA 66 HB1 ALA 66 45.301 -5.742 0.541 139 HB2 ALA 66 HB2 ALA 66 45.685 -4.406 1.626 140 HB3 ALA 66 HB3 ALA 66 45.972 -6.068 2.139 141 H THR 67 HN THR 67 47.718 -7.451 -0.623 142 HA THR 67 HA THR 67 48.771 -9.069 1.506 143 HB THR 67 HB THR 67 49.177 -10.604 -0.649 144 HG1 THR 67 HG1 THR 67 48.591 -9.019 -2.142 145 HG21 THR 67 HG21 THR 67 46.941 -11.496 -0.429 146 HG22 THR 67 HG22 THR 67 46.432 -10.056 0.453 147 HG23 THR 67 HG23 THR 67 47.625 -11.148 1.157 148 H GLU 68 HN GLU 68 50.102 -6.886 -0.715 149 HA GLU 68 HA GLU 68 52.704 -8.191 -0.718 150 HB2 GLU 68 HB2 GLU 68 51.620 -5.801 -2.199 151 HB3 GLU 68 HB1 GLU 68 53.316 -6.260 -2.247 152 HG2 GLU 68 HG2 GLU 68 51.413 -8.411 -2.867 153 HG3 GLU 68 HG1 GLU 68 51.466 -7.082 -4.024 154 H LYS 69 HN LYS 69 51.619 -7.087 1.739 155 HA LYS 69 HA LYS 69 52.598 -4.581 2.416 156 HB2 LYS 69 HB2 LYS 69 52.612 -5.414 4.756 157 HB3 LYS 69 HB1 LYS 69 51.120 -5.781 3.901 158 HG2 LYS 69 HG2 LYS 69 51.445 -7.810 4.817 159 HG3 LYS 69 HG1 LYS 69 52.471 -8.035 3.399 160 HD2 LYS 69 HD2 LYS 69 53.760 -8.757 5.239 161 HD3 LYS 69 HD1 LYS 69 54.382 -7.159 4.820 162 HE2 LYS 69 HE2 LYS 69 54.199 -6.945 7.092 163 HE3 LYS 69 HE1 LYS 69 52.612 -6.364 6.591 164 HZ1 LYS 69 HZ1 LYS 69 52.963 -8.231 8.439 165 HZ2 LYS 69 HZ2 LYS 69 52.836 -9.221 7.074 166 HZ3 LYS 69 HZ3 LYS 69 51.584 -8.152 7.461 167 H GLN 70 HN GLN 70 54.271 -7.597 1.996 168 HA GLN 70 HA GLN 70 56.632 -6.999 3.411 169 HB2 GLN 70 HB2 GLN 70 55.666 -9.140 1.903 170 HB3 GLN 70 HB1 GLN 70 57.106 -8.611 1.045 171 HG2 GLN 70 HG2 GLN 70 57.005 -9.287 3.975 172 HG3 GLN 70 HG1 GLN 70 57.540 -10.383 2.702 173 HE21 GLN 70 HE21 GLN 70 58.890 -9.084 5.060 174 HE22 GLN 70 HE22 GLN 70 60.318 -8.374 4.398 175 H ILE 71 HN ILE 71 55.866 -6.704 -0.035 176 HA ILE 71 HA ILE 71 58.299 -5.463 -0.762 177 HB ILE 71 HB ILE 71 55.647 -5.215 -2.184 178 HG12 ILE 71 HG12 ILE 71 57.807 -7.312 -2.491 179 HG13 ILE 71 HG11 ILE 71 56.218 -7.574 -1.779 180 HG21 ILE 71 HG21 ILE 71 58.436 -4.490 -2.834 181 HG22 ILE 71 HG22 ILE 71 56.920 -3.748 -3.344 182 HG23 ILE 71 HG23 ILE 71 57.487 -5.223 -4.127 183 HD11 ILE 71 HD11 ILE 71 55.327 -6.761 -4.061 184 HD12 ILE 71 HD12 ILE 71 55.972 -8.397 -3.918 185 HD13 ILE 71 HD13 ILE 71 56.956 -7.120 -4.634 186 H PHE 72 HN PHE 72 55.261 -4.258 0.466 187 HA PHE 72 HA PHE 72 55.578 -1.541 -0.199 188 HB2 PHE 72 HB2 PHE 72 53.417 -2.350 0.469 189 HB3 PHE 72 HB1 PHE 72 54.042 -2.899 2.020 190 HD1 PHE 72 HD1 PHE 72 54.596 0.346 0.300 191 HD2 PHE 72 HD2 PHE 72 52.817 -1.697 3.580 192 HE1 PHE 72 HE1 PHE 72 53.982 2.505 1.307 193 HE2 PHE 72 HE2 PHE 72 52.199 0.457 4.593 194 HZ PHE 72 HZ PHE 72 52.782 2.563 3.456 195 H GLU 73 HN GLU 73 56.644 -3.446 2.565 196 HA GLU 73 HA GLU 73 57.634 -1.201 4.035 197 HB2 GLU 73 HB2 GLU 73 57.860 -4.181 4.312 198 HB3 GLU 73 HB1 GLU 73 58.881 -3.129 5.281 199 HG2 GLU 73 HG2 GLU 73 56.639 -1.971 5.900 200 HG3 GLU 73 HG1 GLU 73 55.922 -3.486 5.350 201 H ASP 74 HN ASP 74 58.943 -3.537 1.778 202 HA ASP 74 HA ASP 74 61.660 -2.821 2.153 203 HB2 ASP 74 HB2 ASP 74 60.130 -4.496 0.253 204 HB3 ASP 74 HB1 ASP 74 61.666 -3.868 -0.337 205 H HIS 75 HN HIS 75 59.163 -1.872 -0.147 206 HA HIS 75 HA HIS 75 60.717 -0.263 -1.812 207 HB2 HIS 75 HB2 HIS 75 58.473 -0.917 -2.443 208 HB3 HIS 75 HB1 HIS 75 57.798 -0.052 -1.066 209 HD1 HIS 75 HD1 HIS 75 58.416 0.358 -4.591 210 HD2 HIS 75 HD2 HIS 75 58.376 2.853 -1.263 211 HE1 HIS 75 HE1 HIS 75 58.183 2.722 -5.467 212 H VAL 76 HN VAL 76 58.688 0.682 0.946 213 HA VAL 76 HA VAL 76 59.428 3.386 1.001 214 HB VAL 76 HB VAL 76 58.660 1.666 3.367 215 HG11 VAL 76 HG11 VAL 76 59.175 3.551 4.474 216 HG12 VAL 76 HG12 VAL 76 57.645 4.146 3.832 217 HG13 VAL 76 HG13 VAL 76 59.156 4.533 3.011 218 HG21 VAL 76 HG21 VAL 76 56.486 1.777 2.776 219 HG22 VAL 76 HG22 VAL 76 57.149 1.977 1.153 220 HG23 VAL 76 HG23 VAL 76 56.648 3.391 2.082 221 H PHE 77 HN PHE 77 60.838 0.520 2.457 222 HA PHE 77 HA PHE 77 62.739 1.685 4.120 223 HB2 PHE 77 HB2 PHE 77 62.231 -0.760 4.003 224 HB3 PHE 77 HB1 PHE 77 63.106 -0.832 2.477 225 HD1 PHE 77 HD1 PHE 77 63.756 0.664 5.837 226 HD2 PHE 77 HD2 PHE 77 65.158 -1.816 2.676 227 HE1 PHE 77 HE1 PHE 77 65.856 0.294 7.064 228 HE2 PHE 77 HE2 PHE 77 67.261 -2.191 3.897 229 HZ PHE 77 HZ PHE 77 67.611 -1.136 6.096 230 H CYS 78 HN CYS 78 62.697 1.206 0.652 231 HA CYS 78 HA CYS 78 65.401 1.818 0.172 232 HB2 CYS 78 HB2 CYS 78 63.104 1.233 -1.402 233 HB3 CYS 78 HB1 CYS 78 63.805 2.725 -2.020 234 HG CYS 78 HG CYS 78 64.845 0.031 -2.606 235 H HIS 79 HN HIS 79 62.499 3.838 0.156 236 HA HIS 79 HA HIS 79 63.820 6.265 -0.416 237 HB2 HIS 79 HB2 HIS 79 61.261 5.711 1.100 238 HB3 HIS 79 HB1 HIS 79 61.821 7.330 0.702 239 HD1 HIS 79 HD1 HIS 79 61.975 7.842 -1.970 240 HD2 HIS 79 HD2 HIS 79 59.833 4.481 -0.808 241 HE1 HIS 79 HE1 HIS 79 60.519 7.212 -3.942 242 H SER 80 HN SER 80 63.754 4.233 2.320 243 HA SER 80 HA SER 80 64.333 6.233 4.293 244 HB2 SER 80 HB2 SER 80 63.598 3.523 4.322 245 HB3 SER 80 HB1 SER 80 65.196 3.588 5.065 246 HG SER 80 HG SER 80 63.684 3.942 6.658 247 H LEU 81 HN LEU 81 66.168 4.614 1.929 248 HA LEU 81 HA LEU 81 68.666 4.667 3.315 249 HB2 LEU 81 HB2 LEU 81 68.139 4.410 0.363 250 HB3 LEU 81 HB1 LEU 81 69.640 4.025 1.189 251 HG LEU 81 HG LEU 81 67.163 2.654 2.081 252 HD11 LEU 81 HD11 LEU 81 67.230 2.599 -0.451 253 HD12 LEU 81 HD12 LEU 81 67.225 1.031 0.357 254 HD13 LEU 81 HD13 LEU 81 68.728 1.680 -0.301 255 HD21 LEU 81 HD21 LEU 81 69.988 1.667 1.711 256 HD22 LEU 81 HD22 LEU 81 68.682 0.872 2.591 257 HD23 LEU 81 HD23 LEU 81 69.369 2.377 3.202 Start of MODEL 19 1 H1 GLN 49 HT1 GLN 49 39.122 -4.864 12.028 2 H2 GLN 49 HT2 GLN 49 40.682 -4.697 11.332 3 H3 GLN 49 HT3 GLN 49 40.387 -5.921 12.500 4 HA GLN 49 HA GLN 49 40.391 -7.026 10.515 5 HB2 GLN 49 HB2 GLN 49 37.812 -6.437 11.806 6 HB3 GLN 49 HB1 GLN 49 37.671 -7.114 10.190 7 HG2 GLN 49 HG2 GLN 49 38.347 -9.143 10.841 8 HG3 GLN 49 HG1 GLN 49 39.590 -8.496 11.912 9 HE21 GLN 49 HE21 GLN 49 37.061 -10.410 11.961 10 HE22 GLN 49 HE22 GLN 49 36.400 -10.070 13.520 11 H MET 50 HN MET 50 38.765 -3.935 10.294 12 HA MET 50 HA MET 50 38.388 -4.165 7.426 13 HB2 MET 50 HB2 MET 50 37.945 -1.743 9.173 14 HB3 MET 50 HB1 MET 50 37.305 -2.022 7.559 15 HG2 MET 50 HG2 MET 50 35.730 -3.533 8.296 16 HG3 MET 50 HG1 MET 50 36.625 -3.907 9.767 17 HE1 MET 50 HE1 MET 50 33.141 -1.189 9.418 18 HE2 MET 50 HE2 MET 50 33.375 -2.899 9.051 19 HE3 MET 50 HE3 MET 50 34.072 -1.667 7.998 20 H GLN 51 HN GLN 51 39.621 -3.240 5.880 21 HA GLN 51 HA GLN 51 41.495 -1.150 6.423 22 HB2 GLN 51 HB2 GLN 51 42.402 -3.737 6.946 23 HB3 GLN 51 HB1 GLN 51 43.062 -3.354 5.363 24 HG2 GLN 51 HG2 GLN 51 43.562 -1.067 6.786 25 HG3 GLN 51 HG1 GLN 51 43.780 -2.333 7.993 26 HE21 GLN 51 HE21 GLN 51 45.986 -2.042 8.127 27 HE22 GLN 51 HE22 GLN 51 47.068 -2.500 6.861 28 HA PRO 52 HA PRO 52 40.913 -0.241 2.159 29 HB2 PRO 52 HB2 PRO 52 43.866 0.134 2.015 30 HB3 PRO 52 HB1 PRO 52 42.567 1.234 1.539 31 HG2 PRO 52 HG2 PRO 52 43.938 1.652 3.779 32 HG3 PRO 52 HG1 PRO 52 42.189 1.942 3.716 33 HD2 PRO 52 HD2 PRO 52 43.695 -0.330 4.938 34 HD3 PRO 52 HD1 PRO 52 42.216 0.478 5.500 35 H LEU 53 HN LEU 53 41.848 -0.792 -0.062 36 HA LEU 53 HA LEU 53 42.560 -3.632 -0.060 37 HB2 LEU 53 HB2 LEU 53 40.536 -2.404 -1.335 38 HB3 LEU 53 HB1 LEU 53 41.771 -2.291 -2.574 39 HG LEU 53 HG LEU 53 42.072 -4.820 -2.257 40 HD11 LEU 53 HD11 LEU 53 40.960 -5.433 -0.354 41 HD12 LEU 53 HD12 LEU 53 39.722 -5.769 -1.564 42 HD13 LEU 53 HD13 LEU 53 39.648 -4.283 -0.617 43 HD21 LEU 53 HD21 LEU 53 39.741 -5.115 -3.528 44 HD22 LEU 53 HD22 LEU 53 41.156 -4.378 -4.283 45 HD23 LEU 53 HD23 LEU 53 39.884 -3.358 -3.610 46 H CYS 54 HN CYS 54 44.280 -0.973 -0.010 47 HA CYS 54 HA CYS 54 46.556 -2.065 -1.221 48 HB2 CYS 54 HB2 CYS 54 46.828 -0.614 -3.170 49 HB3 CYS 54 HB1 CYS 54 45.371 -1.590 -3.324 50 HG CYS 54 HG CYS 54 44.165 0.745 -2.414 51 H PHE 55 HN PHE 55 48.108 0.023 -1.819 52 HA PHE 55 HA PHE 55 47.763 2.128 0.151 53 HB2 PHE 55 HB2 PHE 55 50.290 0.481 0.211 54 HB3 PHE 55 HB1 PHE 55 49.771 1.713 1.357 55 HD1 PHE 55 HD1 PHE 55 47.892 1.234 2.907 56 HD2 PHE 55 HD2 PHE 55 49.604 -1.768 0.425 57 HE1 PHE 55 HE1 PHE 55 46.875 -0.506 4.318 58 HE2 PHE 55 HE2 PHE 55 48.590 -3.514 1.831 59 HZ PHE 55 HZ PHE 55 47.224 -2.884 3.780 60 H ASN 56 HN ASN 56 49.823 3.604 0.055 61 HA ASN 56 HA ASN 56 50.941 3.678 -2.650 62 HB2 ASN 56 HB2 ASN 56 48.858 5.414 -1.717 63 HB3 ASN 56 HB1 ASN 56 50.319 6.364 -1.971 64 HD21 ASN 56 HD21 ASN 56 47.596 5.248 -3.407 65 HD22 ASN 56 HD22 ASN 56 48.085 5.325 -5.061 66 H CYS 57 HN CYS 57 53.023 4.320 -2.698 67 HA CYS 57 HA CYS 57 54.399 4.760 -0.226 68 HB2 CYS 57 HB2 CYS 57 55.514 3.490 -1.936 69 HB3 CYS 57 HB1 CYS 57 55.320 4.788 -3.102 70 HA PRO 58 HA PRO 58 53.666 9.195 -0.421 71 HB2 PRO 58 HB2 PRO 58 54.830 9.803 1.948 72 HB3 PRO 58 HB1 PRO 58 53.213 9.099 1.824 73 HG2 PRO 58 HG2 PRO 58 55.824 7.756 2.415 74 HG3 PRO 58 HG1 PRO 58 54.247 7.527 3.195 75 HD2 PRO 58 HD2 PRO 58 55.205 5.823 1.323 76 HD3 PRO 58 HD1 PRO 58 53.472 6.159 1.508 77 H ILE 59 HN ILE 59 56.623 7.541 -0.595 78 HA ILE 59 HA ILE 59 58.244 9.949 -0.571 79 HB ILE 59 HB ILE 59 59.140 7.158 -1.276 80 HG12 ILE 59 HG12 ILE 59 60.077 7.680 1.256 81 HG13 ILE 59 HG11 ILE 59 58.467 8.390 1.306 82 HG21 ILE 59 HG21 ILE 59 60.842 8.527 -1.980 83 HG22 ILE 59 HG22 ILE 59 61.313 8.269 -0.300 84 HG23 ILE 59 HG23 ILE 59 60.498 9.761 -0.768 85 HD11 ILE 59 HD11 ILE 59 58.941 5.597 0.336 86 HD12 ILE 59 HD12 ILE 59 57.433 6.339 0.870 87 HD13 ILE 59 HD13 ILE 59 58.702 5.979 2.040 88 H CYS 60 HN CYS 60 57.516 7.363 -2.970 89 HA CYS 60 HA CYS 60 58.212 9.347 -5.039 90 HB2 CYS 60 HB2 CYS 60 58.916 7.592 -6.487 91 HB3 CYS 60 HB1 CYS 60 59.671 7.312 -4.922 92 H ASP 61 HN ASP 61 55.649 7.591 -3.713 93 HA ASP 61 HA ASP 61 53.411 7.850 -4.192 94 HB2 ASP 61 HB2 ASP 61 54.326 9.721 -5.854 95 HB3 ASP 61 HB1 ASP 61 53.820 8.535 -7.055 96 H LYS 62 HN LYS 62 55.222 5.509 -4.756 97 HA LYS 62 HA LYS 62 53.949 4.165 -6.971 98 HB2 LYS 62 HB2 LYS 62 56.376 3.846 -5.937 99 HB3 LYS 62 HB1 LYS 62 55.543 2.652 -4.957 100 HG2 LYS 62 HG2 LYS 62 54.934 2.467 -7.806 101 HG3 LYS 62 HG1 LYS 62 56.636 2.209 -7.418 102 HD2 LYS 62 HD2 LYS 62 56.128 0.409 -5.968 103 HD3 LYS 62 HD1 LYS 62 54.409 0.804 -5.963 104 HE2 LYS 62 HE2 LYS 62 54.221 0.171 -8.290 105 HE3 LYS 62 HE1 LYS 62 55.958 -0.118 -8.379 106 HZ1 LYS 62 HZ1 LYS 62 55.788 -2.064 -7.247 107 HZ2 LYS 62 HZ2 LYS 62 54.261 -2.062 -7.974 108 HZ3 LYS 62 HZ3 LYS 62 54.430 -1.583 -6.360 109 H ILE 63 HN ILE 63 52.185 2.920 -6.896 110 HA ILE 63 HA ILE 63 50.766 2.643 -4.398 111 HB ILE 63 HB ILE 63 49.951 1.448 -7.036 112 HG12 ILE 63 HG12 ILE 63 49.451 4.259 -6.033 113 HG13 ILE 63 HG11 ILE 63 50.465 3.817 -7.403 114 HG21 ILE 63 HG21 ILE 63 48.446 2.309 -4.576 115 HG22 ILE 63 HG22 ILE 63 48.632 0.672 -5.209 116 HG23 ILE 63 HG23 ILE 63 47.671 1.856 -6.095 117 HD11 ILE 63 HD11 ILE 63 48.637 3.229 -8.716 118 HD12 ILE 63 HD12 ILE 63 48.110 4.685 -7.870 119 HD13 ILE 63 HD13 ILE 63 47.561 3.100 -7.325 120 H PHE 64 HN PHE 64 49.877 0.585 -3.662 121 HA PHE 64 HA PHE 64 51.204 -1.839 -4.539 122 HB2 PHE 64 HB2 PHE 64 51.737 -0.540 -1.891 123 HB3 PHE 64 HB1 PHE 64 51.780 -2.293 -2.031 124 HD1 PHE 64 HD1 PHE 64 53.483 -3.390 -3.381 125 HD2 PHE 64 HD2 PHE 64 53.430 0.835 -2.881 126 HE1 PHE 64 HE1 PHE 64 55.798 -3.268 -4.206 127 HE2 PHE 64 HE2 PHE 64 55.744 0.967 -3.707 128 HZ PHE 64 HZ PHE 64 56.931 -1.088 -4.369 129 HA PRO 65 HA PRO 65 46.977 -3.114 -3.679 130 HB2 PRO 65 HB2 PRO 65 48.263 -5.792 -3.866 131 HB3 PRO 65 HB1 PRO 65 46.821 -5.177 -4.680 132 HG2 PRO 65 HG2 PRO 65 49.119 -5.449 -5.998 133 HG3 PRO 65 HG1 PRO 65 48.046 -4.071 -6.304 134 HD2 PRO 65 HD2 PRO 65 50.604 -4.180 -4.772 135 HD3 PRO 65 HD1 PRO 65 49.953 -2.882 -5.792 136 H ALA 66 HN ALA 66 45.872 -4.351 -2.039 137 HA ALA 66 HA ALA 66 47.000 -4.078 0.524 138 HB1 ALA 66 HB1 ALA 66 44.964 -5.744 1.020 139 HB2 ALA 66 HB2 ALA 66 44.498 -5.188 -0.589 140 HB3 ALA 66 HB3 ALA 66 44.746 -4.021 0.709 141 H THR 67 HN THR 67 47.033 -6.687 -1.767 142 HA THR 67 HA THR 67 47.778 -8.709 0.135 143 HB THR 67 HB THR 67 48.484 -9.778 -2.247 144 HG1 THR 67 HG1 THR 67 46.323 -8.094 -2.925 145 HG21 THR 67 HG21 THR 67 46.100 -10.556 -2.471 146 HG22 THR 67 HG22 THR 67 45.738 -9.561 -1.061 147 HG23 THR 67 HG23 THR 67 46.888 -10.891 -0.930 148 H GLU 68 HN GLU 68 49.395 -6.305 -1.721 149 HA GLU 68 HA GLU 68 51.980 -7.599 -1.354 150 HB2 GLU 68 HB2 GLU 68 50.965 -5.401 -3.093 151 HB3 GLU 68 HB1 GLU 68 52.670 -5.400 -2.663 152 HG2 GLU 68 HG2 GLU 68 52.642 -7.846 -3.472 153 HG3 GLU 68 HG1 GLU 68 51.131 -7.400 -4.262 154 H LYS 69 HN LYS 69 50.427 -6.444 0.873 155 HA LYS 69 HA LYS 69 51.379 -3.965 1.704 156 HB2 LYS 69 HB2 LYS 69 49.550 -5.401 2.758 157 HB3 LYS 69 HB1 LYS 69 50.843 -6.267 3.578 158 HG2 LYS 69 HG2 LYS 69 51.502 -3.737 4.209 159 HG3 LYS 69 HG1 LYS 69 49.749 -3.581 4.073 160 HD2 LYS 69 HD2 LYS 69 50.496 -5.971 5.530 161 HD3 LYS 69 HD1 LYS 69 51.179 -4.521 6.269 162 HE2 LYS 69 HE2 LYS 69 49.121 -4.650 7.301 163 HE3 LYS 69 HE1 LYS 69 48.781 -3.561 5.957 164 HZ1 LYS 69 HZ1 LYS 69 47.181 -5.491 6.406 165 HZ2 LYS 69 HZ2 LYS 69 48.358 -6.467 5.682 166 HZ3 LYS 69 HZ3 LYS 69 47.653 -5.203 4.806 167 H GLN 70 HN GLN 70 52.858 -7.128 1.820 168 HA GLN 70 HA GLN 70 54.955 -6.508 3.616 169 HB2 GLN 70 HB2 GLN 70 54.248 -8.818 2.968 170 HB3 GLN 70 HB1 GLN 70 54.980 -8.554 1.392 171 HG2 GLN 70 HG2 GLN 70 56.408 -9.842 2.928 172 HG3 GLN 70 HG1 GLN 70 57.158 -8.346 2.373 173 HE21 GLN 70 HE21 GLN 70 57.605 -6.741 3.821 174 HE22 GLN 70 HE22 GLN 70 57.445 -6.931 5.531 175 H ILE 71 HN ILE 71 54.688 -6.400 0.101 176 HA ILE 71 HA ILE 71 57.376 -5.571 -0.346 177 HB ILE 71 HB ILE 71 55.038 -5.141 -2.203 178 HG12 ILE 71 HG12 ILE 71 56.808 -7.579 -1.899 179 HG13 ILE 71 HG11 ILE 71 55.096 -7.489 -1.497 180 HG21 ILE 71 HG21 ILE 71 57.940 -5.602 -2.853 181 HG22 ILE 71 HG22 ILE 71 57.223 -4.000 -2.676 182 HG23 ILE 71 HG23 ILE 71 56.655 -5.086 -3.945 183 HD11 ILE 71 HD11 ILE 71 56.336 -8.092 -3.993 184 HD12 ILE 71 HD12 ILE 71 55.330 -6.654 -4.167 185 HD13 ILE 71 HD13 ILE 71 54.629 -8.150 -3.550 186 H PHE 72 HN PHE 72 54.355 -3.929 0.271 187 HA PHE 72 HA PHE 72 55.169 -1.339 -0.540 188 HB2 PHE 72 HB2 PHE 72 52.813 -1.868 -0.301 189 HB3 PHE 72 HB1 PHE 72 53.031 -2.226 1.408 190 HD1 PHE 72 HD1 PHE 72 54.064 0.616 -0.780 191 HD2 PHE 72 HD2 PHE 72 51.980 -0.657 2.704 192 HE1 PHE 72 HE1 PHE 72 53.559 2.959 -0.233 193 HE2 PHE 72 HE2 PHE 72 51.470 1.686 3.258 194 HZ PHE 72 HZ PHE 72 52.260 3.497 1.789 195 H GLU 73 HN GLU 73 55.431 -3.139 2.461 196 HA GLU 73 HA GLU 73 56.327 -0.912 4.017 197 HB2 GLU 73 HB2 GLU 73 56.327 -3.894 4.464 198 HB3 GLU 73 HB1 GLU 73 57.053 -2.781 5.615 199 HG2 GLU 73 HG2 GLU 73 54.574 -1.687 5.210 200 HG3 GLU 73 HG1 GLU 73 54.253 -3.419 5.130 201 H ASP 74 HN ASP 74 57.815 -3.541 2.229 202 HA ASP 74 HA ASP 74 60.470 -2.973 3.052 203 HB2 ASP 74 HB2 ASP 74 59.315 -4.568 0.772 204 HB3 ASP 74 HB1 ASP 74 61.052 -4.367 0.977 205 H HIS 75 HN HIS 75 58.490 -2.074 0.286 206 HA HIS 75 HA HIS 75 60.412 -0.783 -1.258 207 HB2 HIS 75 HB2 HIS 75 58.217 -1.253 -2.152 208 HB3 HIS 75 HB1 HIS 75 57.462 -0.212 -0.950 209 HD1 HIS 75 HD1 HIS 75 58.654 -0.168 -4.367 210 HD2 HIS 75 HD2 HIS 75 58.308 2.601 -1.281 211 HE1 HIS 75 HE1 HIS 75 58.757 2.121 -5.442 212 H VAL 76 HN VAL 76 58.161 0.629 1.099 213 HA VAL 76 HA VAL 76 59.209 3.235 1.044 214 HB VAL 76 HB VAL 76 57.898 1.827 3.381 215 HG11 VAL 76 HG11 VAL 76 57.908 3.760 4.501 216 HG12 VAL 76 HG12 VAL 76 57.452 4.690 3.075 217 HG13 VAL 76 HG13 VAL 76 59.144 4.280 3.356 218 HG21 VAL 76 HG21 VAL 76 56.349 3.690 1.703 219 HG22 VAL 76 HG22 VAL 76 55.865 2.177 2.469 220 HG23 VAL 76 HG23 VAL 76 56.770 2.149 0.956 221 H PHE 77 HN PHE 77 60.034 0.376 2.897 222 HA PHE 77 HA PHE 77 61.819 1.464 4.735 223 HB2 PHE 77 HB2 PHE 77 61.085 -1.146 3.835 224 HB3 PHE 77 HB1 PHE 77 62.843 -1.057 3.876 225 HD1 PHE 77 HD1 PHE 77 59.775 -0.867 5.870 226 HD2 PHE 77 HD2 PHE 77 64.029 -0.847 5.946 227 HE1 PHE 77 HE1 PHE 77 59.727 -1.209 8.305 228 HE2 PHE 77 HE2 PHE 77 63.991 -1.190 8.382 229 HZ PHE 77 HZ PHE 77 61.837 -1.372 9.564 230 H CYS 78 HN CYS 78 62.174 0.741 1.335 231 HA CYS 78 HA CYS 78 64.994 0.949 1.252 232 HB2 CYS 78 HB2 CYS 78 63.109 0.175 -0.554 233 HB3 CYS 78 HB1 CYS 78 63.517 1.774 -1.167 234 HG CYS 78 HG CYS 78 65.446 0.718 -2.219 235 H HIS 79 HN HIS 79 62.390 3.249 0.647 236 HA HIS 79 HA HIS 79 64.053 5.453 0.058 237 HB2 HIS 79 HB2 HIS 79 61.259 5.306 1.204 238 HB3 HIS 79 HB1 HIS 79 62.049 6.819 0.779 239 HD1 HIS 79 HD1 HIS 79 62.547 7.164 -1.838 240 HD2 HIS 79 HD2 HIS 79 60.101 3.961 -0.840 241 HE1 HIS 79 HE1 HIS 79 61.360 6.486 -3.969 242 H SER 80 HN SER 80 63.380 3.732 2.930 243 HA SER 80 HA SER 80 63.905 5.870 4.771 244 HB2 SER 80 HB2 SER 80 64.107 2.938 5.425 245 HB3 SER 80 HB1 SER 80 63.653 4.271 6.487 246 HG SER 80 HG SER 80 61.668 4.187 5.760 247 H LEU 81 HN LEU 81 65.839 3.814 2.871 248 HA LEU 81 HA LEU 81 68.119 3.761 4.584 249 HB2 LEU 81 HB2 LEU 81 67.963 3.256 1.621 250 HB3 LEU 81 HB1 LEU 81 69.283 2.800 2.689 251 HG LEU 81 HG LEU 81 66.556 1.806 3.317 252 HD11 LEU 81 HD11 LEU 81 66.727 -0.036 1.798 253 HD12 LEU 81 HD12 LEU 81 68.329 0.478 1.267 254 HD13 LEU 81 HD13 LEU 81 66.911 1.447 0.862 255 HD21 LEU 81 HD21 LEU 81 69.386 0.929 3.734 256 HD22 LEU 81 HD22 LEU 81 68.068 -0.239 3.840 257 HD23 LEU 81 HD23 LEU 81 68.096 1.158 4.916 Start of MODEL 20 1 H1 GLN 49 HT1 GLN 49 39.263 5.851 3.594 2 H2 GLN 49 HT2 GLN 49 37.632 6.378 3.517 3 H3 GLN 49 HT3 GLN 49 38.355 5.613 2.160 4 HA GLN 49 HA GLN 49 37.781 4.399 4.779 5 HB2 GLN 49 HB2 GLN 49 36.527 4.221 2.043 6 HB3 GLN 49 HB1 GLN 49 36.258 3.001 3.279 7 HG2 GLN 49 HG2 GLN 49 35.808 5.747 4.181 8 HG3 GLN 49 HG1 GLN 49 34.725 5.210 2.897 9 HE21 GLN 49 HE21 GLN 49 34.282 5.786 5.776 10 HE22 GLN 49 HE22 GLN 49 33.535 4.362 6.411 11 H MET 50 HN MET 50 40.004 4.518 2.328 12 HA MET 50 HA MET 50 41.503 3.071 1.403 13 HB2 MET 50 HB2 MET 50 42.689 1.716 2.988 14 HB3 MET 50 HB1 MET 50 42.213 3.206 3.789 15 HG2 MET 50 HG2 MET 50 40.490 2.115 4.990 16 HG3 MET 50 HG1 MET 50 40.649 0.653 4.020 17 HE1 MET 50 HE1 MET 50 42.772 1.784 7.791 18 HE2 MET 50 HE2 MET 50 41.469 2.609 6.935 19 HE3 MET 50 HE3 MET 50 43.149 2.908 6.486 20 H GLN 51 HN GLN 51 42.059 0.422 1.622 21 HA GLN 51 HA GLN 51 39.697 -1.189 1.416 22 HB2 GLN 51 HB2 GLN 51 41.015 -0.111 -1.019 23 HB3 GLN 51 HB1 GLN 51 40.520 -1.797 -1.057 24 HG2 GLN 51 HG2 GLN 51 38.462 -1.168 -1.542 25 HG3 GLN 51 HG1 GLN 51 38.361 -0.334 0.007 26 HE21 GLN 51 HE21 GLN 51 38.490 -0.008 -3.362 27 HE22 GLN 51 HE22 GLN 51 38.563 1.718 -3.436 28 HA PRO 52 HA PRO 52 42.910 -3.958 2.874 29 HB2 PRO 52 HB2 PRO 52 40.830 -5.979 2.202 30 HB3 PRO 52 HB1 PRO 52 41.736 -5.751 3.702 31 HG2 PRO 52 HG2 PRO 52 39.183 -5.018 3.537 32 HG3 PRO 52 HG1 PRO 52 40.357 -4.032 4.430 33 HD2 PRO 52 HD2 PRO 52 39.168 -3.581 1.726 34 HD3 PRO 52 HD1 PRO 52 39.568 -2.405 2.994 35 H LEU 53 HN LEU 53 43.534 -6.343 2.040 36 HA LEU 53 HA LEU 53 44.557 -7.556 0.413 37 HB2 LEU 53 HB2 LEU 53 42.021 -7.045 -0.518 38 HB3 LEU 53 HB1 LEU 53 43.026 -6.485 -1.841 39 HG LEU 53 HG LEU 53 44.070 -8.992 -1.102 40 HD11 LEU 53 HD11 LEU 53 41.777 -9.179 0.053 41 HD12 LEU 53 HD12 LEU 53 42.298 -10.491 -1.005 42 HD13 LEU 53 HD13 LEU 53 41.131 -9.301 -1.584 43 HD21 LEU 53 HD21 LEU 53 42.574 -7.842 -3.406 44 HD22 LEU 53 HD22 LEU 53 42.846 -9.584 -3.350 45 HD23 LEU 53 HD23 LEU 53 44.218 -8.476 -3.329 46 H CYS 54 HN CYS 54 45.198 -4.599 0.913 47 HA CYS 54 HA CYS 54 47.185 -4.408 -1.188 48 HB2 CYS 54 HB2 CYS 54 45.119 -2.234 -0.778 49 HB3 CYS 54 HB1 CYS 54 46.571 -2.067 -1.758 50 HG CYS 54 HG CYS 54 45.399 -4.180 -3.150 51 H PHE 55 HN PHE 55 48.766 -2.686 -0.758 52 HA PHE 55 HA PHE 55 48.874 -1.970 2.098 53 HB2 PHE 55 HB2 PHE 55 51.125 -2.851 0.281 54 HB3 PHE 55 HB1 PHE 55 51.372 -2.154 1.879 55 HD1 PHE 55 HD2 PHE 55 49.718 -3.364 3.704 56 HD2 PHE 55 HD1 PHE 55 51.353 -5.120 0.188 57 HE1 PHE 55 HE2 PHE 55 49.482 -5.595 4.713 58 HE2 PHE 55 HE1 PHE 55 51.119 -7.354 1.191 59 HZ PHE 55 HZ PHE 55 50.184 -7.594 3.456 60 H ASN 56 HN ASN 56 49.109 0.133 2.528 61 HA ASN 56 HA ASN 56 49.872 1.910 0.308 62 HB2 ASN 56 HB2 ASN 56 48.593 3.667 1.658 63 HB3 ASN 56 HB1 ASN 56 47.638 2.427 0.851 64 HD21 ASN 56 HD21 ASN 56 46.095 3.295 2.498 65 HD22 ASN 56 HD22 ASN 56 46.066 2.510 4.037 66 H CYS 57 HN CYS 57 51.520 3.295 0.560 67 HA CYS 57 HA CYS 57 53.256 2.977 2.806 68 HB2 CYS 57 HB2 CYS 57 54.221 3.345 0.620 69 HB3 CYS 57 HB1 CYS 57 53.348 4.862 0.444 70 HA PRO 58 HA PRO 58 51.189 6.238 5.113 71 HB2 PRO 58 HB2 PRO 58 52.495 5.879 7.436 72 HB3 PRO 58 HB1 PRO 58 51.242 4.759 6.885 73 HG2 PRO 58 HG2 PRO 58 54.220 4.497 6.724 74 HG3 PRO 58 HG1 PRO 58 53.013 3.280 7.177 75 HD2 PRO 58 HD2 PRO 58 54.141 3.432 4.694 76 HD3 PRO 58 HD1 PRO 58 52.518 2.781 4.994 77 H ILE 59 HN ILE 59 54.495 5.978 4.232 78 HA ILE 59 HA ILE 59 55.405 8.342 5.562 79 HB ILE 59 HB ILE 59 56.673 6.930 3.215 80 HG12 ILE 59 HG12 ILE 59 57.986 6.425 5.710 81 HG13 ILE 59 HG11 ILE 59 56.280 6.028 5.887 82 HG21 ILE 59 HG21 ILE 59 57.571 9.067 5.102 83 HG22 ILE 59 HG22 ILE 59 57.752 8.969 3.350 84 HG23 ILE 59 HG23 ILE 59 58.749 7.960 4.397 85 HD11 ILE 59 HD11 ILE 59 56.485 4.190 4.660 86 HD12 ILE 59 HD12 ILE 59 58.225 4.399 4.854 87 HD13 ILE 59 HD13 ILE 59 57.417 5.017 3.414 88 H CYS 60 HN CYS 60 54.703 7.610 2.108 89 HA CYS 60 HA CYS 60 54.397 10.514 1.746 90 HB2 CYS 60 HB2 CYS 60 55.051 10.298 -0.547 91 HB3 CYS 60 HB1 CYS 60 56.256 9.499 0.452 92 H ASP 61 HN ASP 61 53.079 7.420 0.595 93 HA ASP 61 HA ASP 61 50.480 7.633 1.006 94 HB2 ASP 61 HB2 ASP 61 49.503 8.713 -1.087 95 HB3 ASP 61 HB1 ASP 61 50.171 9.812 0.115 96 H LYS 62 HN LYS 62 52.715 7.224 -1.667 97 HA LYS 62 HA LYS 62 51.608 5.727 -3.528 98 HB2 LYS 62 HB2 LYS 62 54.217 5.801 -2.351 99 HB3 LYS 62 HB1 LYS 62 53.834 4.141 -2.788 100 HG2 LYS 62 HG2 LYS 62 53.561 6.459 -4.683 101 HG3 LYS 62 HG1 LYS 62 55.014 5.467 -4.548 102 HD2 LYS 62 HD2 LYS 62 53.360 3.484 -4.902 103 HD3 LYS 62 HD1 LYS 62 52.300 4.730 -5.566 104 HE2 LYS 62 HE2 LYS 62 53.903 5.307 -7.237 105 HE3 LYS 62 HE1 LYS 62 55.134 4.295 -6.486 106 HZ1 LYS 62 HZ1 LYS 62 54.212 3.184 -8.390 107 HZ2 LYS 62 HZ2 LYS 62 52.640 3.352 -7.791 108 HZ3 LYS 62 HZ3 LYS 62 53.746 2.352 -6.992 109 H ILE 63 HN ILE 63 50.449 3.932 -3.800 110 HA ILE 63 HA ILE 63 50.327 2.001 -1.575 111 HB ILE 63 HB ILE 63 48.022 2.586 -3.423 112 HG12 ILE 63 HG12 ILE 63 48.329 3.664 -0.620 113 HG13 ILE 63 HG11 ILE 63 48.753 4.599 -2.049 114 HG21 ILE 63 HG21 ILE 63 48.305 1.111 -0.817 115 HG22 ILE 63 HG22 ILE 63 47.817 0.466 -2.385 116 HG23 ILE 63 HG23 ILE 63 46.747 1.562 -1.511 117 HD11 ILE 63 HD11 ILE 63 46.319 4.584 -0.839 118 HD12 ILE 63 HD12 ILE 63 46.081 3.436 -2.155 119 HD13 ILE 63 HD13 ILE 63 46.624 5.076 -2.503 120 H PHE 64 HN PHE 64 49.691 -0.190 -2.197 121 HA PHE 64 HA PHE 64 50.009 -0.920 -4.989 122 HB2 PHE 64 HB2 PHE 64 51.738 -2.497 -3.163 123 HB3 PHE 64 HB1 PHE 64 51.986 -2.059 -4.848 124 HD1 PHE 64 HD2 PHE 64 51.976 -0.573 -1.436 125 HD2 PHE 64 HD1 PHE 64 53.541 -0.445 -5.392 126 HE1 PHE 64 HE2 PHE 64 53.570 1.168 -0.745 127 HE2 PHE 64 HE1 PHE 64 55.141 1.294 -4.705 128 HZ PHE 64 HZ PHE 64 55.155 2.101 -2.379 129 HA PRO 65 HA PRO 65 47.259 -4.186 -3.887 130 HB2 PRO 65 HB2 PRO 65 48.122 -6.318 -5.317 131 HB3 PRO 65 HB1 PRO 65 47.354 -4.914 -6.069 132 HG2 PRO 65 HG2 PRO 65 50.262 -5.589 -5.844 133 HG3 PRO 65 HG1 PRO 65 49.366 -4.956 -7.237 134 HD2 PRO 65 HD2 PRO 65 50.881 -3.384 -5.631 135 HD3 PRO 65 HD1 PRO 65 49.424 -2.792 -6.452 136 H ALA 66 HN ALA 66 47.026 -6.298 -2.850 137 HA ALA 66 HA ALA 66 48.683 -6.603 -0.626 138 HB1 ALA 66 HB1 ALA 66 46.726 -7.595 -0.140 139 HB2 ALA 66 HB2 ALA 66 47.506 -9.038 -0.786 140 HB3 ALA 66 HB3 ALA 66 46.437 -8.080 -1.810 141 H THR 67 HN THR 67 48.834 -8.054 -3.803 142 HA THR 67 HA THR 67 50.763 -10.052 -3.071 143 HB THR 67 HB THR 67 50.965 -9.962 -5.754 144 HG1 THR 67 HG1 THR 67 49.421 -8.875 -6.647 145 HG21 THR 67 HG21 THR 67 48.401 -11.127 -4.987 146 HG22 THR 67 HG22 THR 67 49.762 -11.648 -3.994 147 HG23 THR 67 HG23 THR 67 49.811 -11.867 -5.743 148 H GLU 68 HN GLU 68 50.978 -6.763 -3.430 149 HA GLU 68 HA GLU 68 53.665 -6.825 -4.559 150 HB2 GLU 68 HB2 GLU 68 51.518 -4.843 -4.415 151 HB3 GLU 68 HB1 GLU 68 53.099 -4.178 -4.026 152 HG2 GLU 68 HG2 GLU 68 53.696 -5.596 -6.242 153 HG3 GLU 68 HG1 GLU 68 52.027 -5.142 -6.583 154 H LYS 69 HN LYS 69 53.080 -7.858 -1.892 155 HA LYS 69 HA LYS 69 53.773 -6.085 0.151 156 HB2 LYS 69 HB2 LYS 69 52.849 -8.382 0.469 157 HB3 LYS 69 HB1 LYS 69 54.420 -9.034 0.026 158 HG2 LYS 69 HG2 LYS 69 54.347 -7.049 2.222 159 HG3 LYS 69 HG1 LYS 69 53.690 -8.654 2.548 160 HD2 LYS 69 HD2 LYS 69 55.720 -9.670 2.376 161 HD3 LYS 69 HD1 LYS 69 56.316 -8.517 1.179 162 HE2 LYS 69 HE2 LYS 69 57.580 -7.932 3.002 163 HE3 LYS 69 HE1 LYS 69 56.206 -6.843 3.191 164 HZ1 LYS 69 HZ1 LYS 69 57.110 -8.402 5.136 165 HZ2 LYS 69 HZ2 LYS 69 55.958 -9.442 4.465 166 HZ3 LYS 69 HZ3 LYS 69 55.494 -7.914 5.021 167 H GLN 70 HN GLN 70 55.736 -7.758 -2.191 168 HA GLN 70 HA GLN 70 58.230 -7.458 -0.884 169 HB2 GLN 70 HB2 GLN 70 57.353 -8.734 -3.156 170 HB3 GLN 70 HB1 GLN 70 58.319 -7.420 -3.813 171 HG2 GLN 70 HG2 GLN 70 59.762 -9.265 -3.591 172 HG3 GLN 70 HG1 GLN 70 60.168 -8.159 -2.280 173 HE21 GLN 70 HE21 GLN 70 60.399 -9.038 -0.360 174 HE22 GLN 70 HE22 GLN 70 59.709 -10.530 0.169 175 H ILE 71 HN ILE 71 56.651 -5.582 -3.436 176 HA ILE 71 HA ILE 71 58.666 -3.581 -3.556 177 HB ILE 71 HB ILE 71 55.788 -3.360 -4.444 178 HG12 ILE 71 HG12 ILE 71 57.202 -3.792 -6.716 179 HG13 ILE 71 HG11 ILE 71 58.132 -4.765 -5.580 180 HG21 ILE 71 HG21 ILE 71 56.281 -1.367 -5.320 181 HG22 ILE 71 HG22 ILE 71 57.821 -1.936 -5.964 182 HG23 ILE 71 HG23 ILE 71 57.711 -1.398 -4.289 183 HD11 ILE 71 HD11 ILE 71 55.587 -5.302 -6.808 184 HD12 ILE 71 HD12 ILE 71 55.486 -5.412 -5.051 185 HD13 ILE 71 HD13 ILE 71 56.667 -6.383 -5.931 186 H PHE 72 HN PHE 72 55.760 -4.013 -1.669 187 HA PHE 72 HA PHE 72 55.453 -1.364 -0.759 188 HB2 PHE 72 HB2 PHE 72 53.658 -2.982 -0.531 189 HB3 PHE 72 HB1 PHE 72 54.652 -3.984 0.520 190 HD1 PHE 72 HD2 PHE 72 53.878 -0.335 0.458 191 HD2 PHE 72 HD1 PHE 72 53.800 -3.981 2.647 192 HE1 PHE 72 HE2 PHE 72 53.002 0.867 2.417 193 HE2 PHE 72 HE1 PHE 72 52.924 -2.787 4.612 194 HZ PHE 72 HZ PHE 72 52.523 -0.359 4.499 195 H GLU 73 HN GLU 73 57.252 -4.115 0.536 196 HA GLU 73 HA GLU 73 58.123 -2.743 2.881 197 HB2 GLU 73 HB2 GLU 73 59.622 -4.667 3.188 198 HB3 GLU 73 HB1 GLU 73 57.979 -5.183 2.835 199 HG2 GLU 73 HG2 GLU 73 58.542 -5.803 0.630 200 HG3 GLU 73 HG1 GLU 73 60.100 -4.984 0.721 201 H ASP 74 HN ASP 74 59.362 -3.263 -0.348 202 HA ASP 74 HA ASP 74 61.965 -2.260 0.166 203 HB2 ASP 74 HB2 ASP 74 60.428 -3.131 -2.179 204 HB3 ASP 74 HB1 ASP 74 61.577 -1.842 -2.522 205 H HIS 75 HN HIS 75 58.972 -0.860 -1.042 206 HA HIS 75 HA HIS 75 59.913 1.670 -1.731 207 HB2 HIS 75 HB2 HIS 75 57.677 0.915 -2.344 208 HB3 HIS 75 HB1 HIS 75 57.204 0.876 -0.648 209 HD1 HIS 75 HD1 HIS 75 57.010 3.009 -3.539 210 HD2 HIS 75 HD2 HIS 75 57.439 3.589 0.559 211 HE1 HIS 75 HE1 HIS 75 56.374 5.418 -3.084 212 H VAL 76 HN VAL 76 58.404 0.615 1.309 213 HA VAL 76 HA VAL 76 58.781 3.006 2.725 214 HB VAL 76 HB VAL 76 58.760 0.195 3.845 215 HG11 VAL 76 HG11 VAL 76 59.351 2.554 5.150 216 HG12 VAL 76 HG12 VAL 76 58.805 1.056 5.904 217 HG13 VAL 76 HG13 VAL 76 57.637 2.313 5.493 218 HG21 VAL 76 HG21 VAL 76 56.669 1.849 2.682 219 HG22 VAL 76 HG22 VAL 76 56.292 1.331 4.325 220 HG23 VAL 76 HG23 VAL 76 56.662 0.131 3.086 221 H PHE 77 HN PHE 77 60.850 0.239 2.167 222 HA PHE 77 HA PHE 77 62.901 0.769 3.979 223 HB2 PHE 77 HB2 PHE 77 62.561 -1.246 2.360 224 HB3 PHE 77 HB1 PHE 77 63.481 -0.273 1.219 225 HD1 PHE 77 HD2 PHE 77 65.757 0.641 2.088 226 HD2 PHE 77 HD1 PHE 77 63.671 -2.638 3.823 227 HE1 PHE 77 HE2 PHE 77 67.854 -0.151 3.103 228 HE2 PHE 77 HE1 PHE 77 65.763 -3.435 4.842 229 HZ PHE 77 HZ PHE 77 67.860 -2.191 4.482 230 H CYS 78 HN CYS 78 62.166 2.143 0.842 231 HA CYS 78 HA CYS 78 64.589 3.527 0.485 232 HB2 CYS 78 HB2 CYS 78 62.321 3.174 -1.031 233 HB3 CYS 78 HB1 CYS 78 62.216 4.876 -0.593 234 HG CYS 78 HG CYS 78 63.633 4.246 -2.870 235 H HIS 79 HN HIS 79 61.496 4.524 1.881 236 HA HIS 79 HA HIS 79 62.307 7.137 2.582 237 HB2 HIS 79 HB2 HIS 79 60.235 5.298 3.798 238 HB3 HIS 79 HB1 HIS 79 60.467 6.965 4.313 239 HD1 HIS 79 HD1 HIS 79 59.935 8.826 2.420 240 HD2 HIS 79 HD2 HIS 79 58.660 4.952 1.641 241 HE1 HIS 79 HE1 HIS 79 58.210 9.004 0.577 242 H SER 80 HN SER 80 63.118 4.044 3.763 243 HA SER 80 HA SER 80 63.817 4.827 6.432 244 HB2 SER 80 HB2 SER 80 63.288 2.438 5.350 245 HB3 SER 80 HB1 SER 80 65.046 2.413 5.215 246 HG SER 80 HG SER 80 65.028 2.995 7.515 247 H LEU 81 HN LEU 81 65.309 5.129 3.390 248 HA LEU 81 HA LEU 81 68.013 5.055 4.313 249 HB2 LEU 81 HB2 LEU 81 66.914 6.207 1.759 250 HB3 LEU 81 HB1 LEU 81 68.594 5.817 2.088 251 HG LEU 81 HG LEU 81 66.576 3.656 2.351 252 HD11 LEU 81 HD11 LEU 81 67.739 4.410 -0.323 253 HD12 LEU 81 HD12 LEU 81 66.125 4.899 0.192 254 HD13 LEU 81 HD13 LEU 81 66.517 3.187 0.030 255 HD21 LEU 81 HD21 LEU 81 69.422 3.759 1.354 256 HD22 LEU 81 HD22 LEU 81 68.446 2.300 1.527 257 HD23 LEU 81 HD23 LEU 81 68.892 3.236 2.953
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