NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
599350 | 2mz9 | 25477 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ALA 1 HN ALA 1 1.884 0.000 0.829 2 HA ALA 1 HA ALA 1 3.115 0.217 -1.007 3 HB1 ALA 1 HB1 ALA 1 1.899 -1.280 -2.970 4 HB2 ALA 1 HB2 ALA 1 2.899 -1.946 -1.657 5 HB3 ALA 1 HB3 ALA 1 1.127 -1.918 -1.499 6 H ASP 2 HN ASP 2 1.859 2.527 -0.714 7 HA ASP 2 HA ASP 2 1.580 4.318 -1.986 8 HB2 ASP 2 HB2 ASP 2 0.558 2.677 -4.327 9 HB3 ASP 2 HB3 ASP 2 1.279 4.274 -4.361 10 HD2 ASP 2 HD2 ASP 2 3.500 1.165 -5.005 11 H ASP 3 HN ASP 3 -0.692 1.537 -2.432 12 HA ASP 3 HA ASP 3 -2.885 3.425 -2.077 13 HB2 ASP 3 HB2 ASP 3 -3.027 0.613 -3.253 14 HB3 ASP 3 HB3 ASP 3 -4.309 1.808 -3.250 15 HD2 ASP 3 HD2 ASP 3 -2.657 3.678 -5.828 16 H ILE 4 HN ILE 4 -3.963 3.204 -0.106 17 HA ILE 4 HA ILE 4 -3.485 0.725 1.382 18 HB ILE 4 HB ILE 4 -4.125 3.539 2.247 19 HG12 ILE 4 HG1 ILE 4 -1.729 1.736 2.400 20 HG23 ILE 4 HG2 ILE 4 -4.333 2.814 4.502 21 HD11 ILE 4 HD1 ILE 4 -1.870 2.274 4.704 22 H VAL 5 HN VAL 5 -5.083 -0.738 1.101 23 HA VAL 5 HA VAL 5 -7.731 0.180 0.431 24 HB VAL 5 HB VAL 5 -6.434 -2.526 0.753 25 HG13 VAL 5 HG1 VAL 5 -9.311 -1.793 0.543 26 HG21 VAL 5 HG2 VAL 5 -6.414 -2.651 -1.577 27 H LEU 6 HN LEU 6 -9.347 0.562 1.860 28 HA LEU 6 HA LEU 6 -8.884 -0.344 4.609 29 HB2 LEU 6 HB2 LEU 6 -10.728 1.849 3.668 30 HB3 LEU 6 HB3 LEU 6 -10.261 1.476 5.316 31 HG LEU 6 HG LEU 6 -8.207 2.303 3.267 32 HD13 LEU 6 HD1 LEU 6 -10.024 3.996 3.298 33 HD21 LEU 6 HD2 LEU 6 -7.948 1.362 5.830 34 H LYS 7 HN LYS 7 -9.617 -2.529 4.038 35 HA LYS 7 HA LYS 7 -11.845 -3.307 2.818 36 HB2 LYS 7 HB2 LYS 7 -11.939 -5.195 4.430 37 HB3 LYS 7 HB3 LYS 7 -10.332 -4.883 3.804 38 HG2 LYS 7 HG2 LYS 7 -10.838 -3.306 6.228 39 HG3 LYS 7 HG3 LYS 7 -11.096 -5.014 6.526 40 HD2 LYS 7 HD2 LYS 7 -8.871 -5.575 6.118 41 HD3 LYS 7 HD3 LYS 7 -8.639 -4.281 4.959 42 HE2 LYS 7 HE2 LYS 7 -7.650 -3.052 6.589 43 HE3 LYS 7 HE3 LYS 7 -9.189 -2.973 7.423 44 HZ1 LYS 7 HZ1 LYS 7 -7.427 -3.965 8.808 45 HZ2 LYS 7 HZ2 LYS 7 -8.632 -5.035 8.572 46 H ALA 8 HN ALA 8 -13.942 -2.722 2.838 47 HA ALA 8 HA ALA 8 -15.036 -1.824 5.414 48 HB1 ALA 8 HB1 ALA 8 -16.478 -0.588 3.315 49 HB2 ALA 8 HB2 ALA 8 -15.368 0.188 4.470 50 HB3 ALA 8 HB3 ALA 8 -14.757 -0.398 2.905 51 H LYS 9 HN LYS 9 -17.258 -2.385 5.802 52 HA LYS 9 HA LYS 9 -17.979 -4.844 4.512 53 HB2 LYS 9 HB2 LYS 9 -18.603 -3.435 6.984 54 HB3 LYS 9 HB3 LYS 9 -20.052 -4.063 6.223 55 HG2 LYS 9 HG2 LYS 9 -19.508 -6.200 6.766 56 HG3 LYS 9 HG3 LYS 9 -17.914 -6.042 6.054 57 HD2 LYS 9 HD2 LYS 9 -17.654 -4.526 8.372 58 HD3 LYS 9 HD3 LYS 9 -18.744 -5.795 8.894 59 HE2 LYS 9 HE2 LYS 9 -16.749 -7.112 7.350 60 HE3 LYS 9 HE3 LYS 9 -15.879 -5.949 8.330 61 HZ1 LYS 9 HZ1 LYS 9 -17.900 -7.781 9.495 62 HZ2 LYS 9 HZ2 LYS 9 -16.319 -8.167 9.416 63 H ASN 10 HN ASN 10 -18.396 -1.529 3.837 64 HA ASN 10 HA ASN 10 -20.686 -2.220 2.174 65 HB2 ASN 10 HB2 ASN 10 -20.156 0.395 3.679 66 HB3 ASN 10 HB3 ASN 10 -21.399 0.226 2.455 67 HD21 ASN 10 HD2 ASN 10 -21.949 -1.033 6.274 68 H GLY 11 HN GLY 11 -18.369 -2.639 0.957 69 HA2 GLY 11 HA1 GLY 11 -17.447 -1.996 -1.054 70 HA3 GLY 11 HA2 GLY 11 -18.023 -0.357 -0.820 71 H ASP 12 HN ASP 12 -15.245 -1.797 -1.324 72 HA ASP 12 HA ASP 12 -13.745 -1.093 0.957 73 HB2 ASP 12 HB2 ASP 12 -11.894 -1.923 -0.237 74 HB3 ASP 12 HB3 ASP 12 -13.224 -2.827 -0.932 75 HD2 ASP 12 HD2 ASP 12 -14.135 -1.171 -2.920 76 H VAL 13 HN VAL 13 -11.720 0.474 0.579 77 HA VAL 13 HA VAL 13 -12.578 2.762 -1.048 78 HB VAL 13 HB VAL 13 -11.562 2.716 1.794 79 HG13 VAL 13 HG1 VAL 13 -10.358 4.528 1.079 80 HG21 VAL 13 HG2 VAL 13 -14.106 3.737 0.496 81 H LYS 14 HN LYS 14 -11.083 3.283 -2.555 82 HA LYS 14 HA LYS 14 -8.414 2.164 -2.208 83 HB2 LYS 14 HB2 LYS 14 -9.774 1.723 -4.282 84 HB3 LYS 14 HB3 LYS 14 -9.649 3.427 -4.670 85 HG2 LYS 14 HG2 LYS 14 -7.853 2.377 -5.857 86 HG3 LYS 14 HG3 LYS 14 -7.097 3.173 -4.491 87 HD2 LYS 14 HD2 LYS 14 -6.172 1.170 -3.959 88 HD3 LYS 14 HD3 LYS 14 -7.770 0.646 -3.467 89 HE2 LYS 14 HE2 LYS 14 -8.175 -0.499 -5.482 90 HE3 LYS 14 HE3 LYS 14 -7.078 0.511 -6.404 91 HZ1 LYS 14 HZ1 LYS 14 -5.683 -1.239 -6.136 92 HZ2 LYS 14 HZ2 LYS 14 -5.402 -0.657 -4.642 93 H PHE 15 HN PHE 15 -7.313 3.518 -0.811 94 HA PHE 15 HA PHE 15 -7.249 6.342 -1.613 95 HB2 PHE 15 HB2 PHE 15 -8.176 5.871 0.664 96 HB3 PHE 15 HB3 PHE 15 -6.796 4.860 1.044 97 HD1 PHE 15 HD2 PHE 15 -7.790 8.356 0.319 98 HD2 PHE 15 HD1 PHE 15 -4.840 5.789 1.967 99 HE1 PHE 15 HE2 PHE 15 -6.599 10.344 1.285 100 HE2 PHE 15 HE1 PHE 15 -3.649 7.777 2.932 101 HZ PHE 15 HZ PHE 15 -4.543 10.030 2.580 102 HA PRO 16 HA PRO 16 -2.996 5.389 -2.515 103 HB2 PRO 16 HB2 PRO 16 -2.518 7.680 -3.947 104 HB3 PRO 16 HB3 PRO 16 -3.513 6.330 -4.584 105 HG2 PRO 16 HG2 PRO 16 -4.675 9.082 -3.599 106 HG3 PRO 16 HG3 PRO 16 -4.809 7.709 -4.747 107 HD2 PRO 16 HD2 PRO 16 -5.992 8.073 -2.032 108 HD3 PRO 16 HD3 PRO 16 -6.413 6.875 -3.294 109 H HIS 17 HN HIS 17 -1.959 5.508 -0.557 110 HA HIS 17 HA HIS 17 -1.834 7.919 1.039 111 HB2 HIS 17 HB2 HIS 17 -1.746 5.588 1.915 112 HB3 HIS 17 HB3 HIS 17 -0.126 5.371 1.122 113 HD1 HIS 17 HD1 HIS 17 1.813 6.786 2.116 114 HD2 HIS 17 HD2 HIS 17 -1.675 6.760 4.419 115 HE1 HIS 17 HE1 HIS 17 2.494 7.612 4.461 116 H LYS 18 HN LYS 18 0.859 6.122 -0.688 117 HA LYS 18 HA LYS 18 2.801 7.955 -0.464 118 HB2 LYS 18 HB2 LYS 18 3.160 5.814 -1.506 119 HB3 LYS 18 HB3 LYS 18 2.104 6.216 -2.844 120 HG2 LYS 18 HG2 LYS 18 3.677 8.159 -3.391 121 HG3 LYS 18 HG3 LYS 18 4.771 7.539 -2.171 122 HD2 LYS 18 HD2 LYS 18 5.635 6.116 -3.707 123 HD3 LYS 18 HD3 LYS 18 4.089 5.293 -3.782 124 HE2 LYS 18 HE2 LYS 18 3.649 6.140 -5.846 125 HE3 LYS 18 HE3 LYS 18 3.958 7.779 -5.308 126 HZ1 LYS 18 HZ1 LYS 18 6.421 7.110 -5.491 127 HZ2 LYS 18 HZ2 LYS 18 5.914 5.841 -6.376 128 H ALA 19 HN ALA 19 -0.168 8.228 -2.370 129 HA ALA 19 HA ALA 19 0.793 10.483 -3.867 130 HB1 ALA 19 HB1 ALA 19 -0.953 8.706 -4.563 131 HB2 ALA 19 HB2 ALA 19 -2.087 9.604 -3.525 132 HB3 ALA 19 HB3 ALA 19 -1.326 10.410 -4.918 133 H HIS 20 HN HIS 20 -1.371 9.830 -1.135 134 HA HIS 20 HA HIS 20 -2.018 12.628 -0.666 135 HB2 HIS 20 HB2 HIS 20 -2.683 9.943 0.432 136 HB3 HIS 20 HB3 HIS 20 -2.642 11.269 1.673 137 HD1 HIS 20 HD1 HIS 20 -4.207 10.658 -1.732 138 HD2 HIS 20 HD2 HIS 20 -5.037 12.528 1.912 139 HE1 HIS 20 HE1 HIS 20 -6.612 11.564 -1.921 140 H GLN 21 HN GLN 21 0.860 10.916 -0.296 141 HA GLN 21 HA GLN 21 1.688 11.627 2.232 142 HB2 GLN 21 HB2 GLN 21 2.760 10.194 0.182 143 HB3 GLN 21 HB3 GLN 21 3.712 11.657 0.026 144 HG2 GLN 21 HG2 GLN 21 3.368 10.125 2.646 145 HG3 GLN 21 HG3 GLN 21 4.728 9.910 1.562 146 HE21 GLN 21 HE2 GLN 21 4.384 13.172 4.030 147 H LYS 22 HN LYS 22 0.934 13.611 -0.474 148 HA LYS 22 HA LYS 22 2.432 15.824 0.747 149 HB2 LYS 22 HB2 LYS 22 2.525 14.813 -1.949 150 HB3 LYS 22 HB3 LYS 22 1.865 16.436 -1.966 151 HG2 LYS 22 HG2 LYS 22 4.013 17.170 -1.814 152 HG3 LYS 22 HG3 LYS 22 3.959 16.669 -0.135 153 HD2 LYS 22 HD2 LYS 22 5.417 14.966 -0.507 154 HD3 LYS 22 HD3 LYS 22 4.469 14.359 -1.849 155 HE2 LYS 22 HE2 LYS 22 5.767 15.420 -3.425 156 HE3 LYS 22 HE3 LYS 22 5.934 16.873 -2.461 157 HZ1 LYS 22 HZ1 LYS 22 8.059 15.952 -2.404 158 HZ2 LYS 22 HZ2 LYS 22 7.456 15.380 -1.004 159 H ALA 23 HN ALA 23 1.115 17.810 -0.946 160 HA ALA 23 HA ALA 23 -0.692 19.086 -0.968 161 HB1 ALA 23 HB1 ALA 23 -2.663 18.084 -1.569 162 HB2 ALA 23 HB2 ALA 23 -1.608 16.659 -1.730 163 HB3 ALA 23 HB3 ALA 23 -2.580 16.885 -0.256 164 H VAL 24 HN VAL 24 0.725 17.919 1.640 165 HA VAL 24 HA VAL 24 -1.218 19.169 3.453 166 HB VAL 24 HB VAL 24 0.627 17.015 4.394 167 HG13 VAL 24 HG1 VAL 24 -0.580 18.174 6.099 168 HG21 VAL 24 HG2 VAL 24 -1.655 15.593 3.934 169 HA PRO 25 HA PRO 25 1.566 22.355 4.438 170 HB2 PRO 25 HB2 PRO 25 1.199 21.201 7.240 171 HB3 PRO 25 HB3 PRO 25 1.221 22.906 6.680 172 HG2 PRO 25 HG2 PRO 25 -0.951 21.430 7.054 173 HG3 PRO 25 HG3 PRO 25 -1.208 22.763 5.881 174 HD2 PRO 25 HD2 PRO 25 -1.288 19.905 5.397 175 HD3 PRO 25 HD3 PRO 25 -1.377 21.211 4.175 176 H ASP 26 HN ASP 26 2.193 19.594 6.760 177 HA ASP 26 HA ASP 26 4.632 19.031 5.422 178 HB2 ASP 26 HB2 ASP 26 4.948 21.108 7.059 179 HB3 ASP 26 HB3 ASP 26 4.924 19.886 8.314 180 HD2 ASP 26 HD2 ASP 26 8.042 19.718 8.294 181 H CYS 27 HN CYS 27 2.358 17.454 5.931 182 HA CYS 27 HA CYS 27 1.632 15.599 6.853 183 HB2 CYS 27 HB2 CYS 27 3.934 14.907 6.042 184 HB3 CYS 27 HB3 CYS 27 4.476 15.046 7.702 185 H LYS 28 HN LYS 28 1.625 14.257 9.083 186 HA LYS 28 HA LYS 28 1.555 14.214 11.315 187 HB2 LYS 28 HB2 LYS 28 2.659 17.026 11.454 188 HB3 LYS 28 HB3 LYS 28 2.656 15.802 12.708 189 HG2 LYS 28 HG2 LYS 28 4.548 14.817 11.903 190 HG3 LYS 28 HG3 LYS 28 3.948 14.817 10.257 191 HD2 LYS 28 HD2 LYS 28 5.613 16.359 9.915 192 HD3 LYS 28 HD3 LYS 28 4.434 17.490 10.550 193 HE2 LYS 28 HE2 LYS 28 5.399 16.886 12.905 194 HE3 LYS 28 HE3 LYS 28 6.737 16.164 12.033 195 HZ1 LYS 28 HZ1 LYS 28 7.050 18.565 12.636 196 HZ2 LYS 28 HZ2 LYS 28 7.247 18.274 11.046 197 H LYS 29 HN LYS 29 -0.358 15.441 9.223 198 HA LYS 29 HA LYS 29 -1.907 17.195 10.951 199 HB2 LYS 29 HB2 LYS 29 -1.456 17.781 8.560 200 HB3 LYS 29 HB3 LYS 29 -2.396 16.386 8.071 201 HG2 LYS 29 HG2 LYS 29 -4.381 17.292 9.298 202 HG3 LYS 29 HG3 LYS 29 -3.441 18.688 9.788 203 HD2 LYS 29 HD2 LYS 29 -3.480 18.092 6.848 204 HD3 LYS 29 HD3 LYS 29 -4.994 18.639 7.542 205 HE2 LYS 29 HE2 LYS 29 -2.895 20.304 8.615 206 HE3 LYS 29 HE3 LYS 29 -2.659 20.206 6.881 207 HZ1 LYS 29 HZ1 LYS 29 -4.193 21.992 7.411 208 HZ2 LYS 29 HZ2 LYS 29 -5.022 20.842 6.609 209 H CYS 30 HN CYS 30 -2.099 14.015 9.251 210 HA CYS 30 HA CYS 30 -4.641 13.501 10.509 211 HB2 CYS 30 HB2 CYS 30 -3.168 11.391 8.981 212 HB3 CYS 30 HB3 CYS 30 -4.884 11.736 9.046 213 H HIS 31 HN HIS 31 -1.357 12.109 10.356 214 HA HIS 31 HA HIS 31 -1.671 10.177 12.431 215 HB2 HIS 31 HB2 HIS 31 0.728 11.593 11.170 216 HB3 HIS 31 HB3 HIS 31 0.908 10.338 12.470 217 HD1 HIS 31 HD1 HIS 31 0.027 7.950 11.840 218 HD2 HIS 31 HD2 HIS 31 0.457 10.583 8.622 219 HE1 HIS 31 HE1 HIS 31 0.050 6.491 9.715 220 H GLU 32 HN GLU 32 -0.459 13.614 12.507 221 HA GLU 32 HA GLU 32 -0.671 15.064 14.159 222 HB2 GLU 32 HB2 GLU 32 -2.500 13.387 15.084 223 HB3 GLU 32 HB3 GLU 32 -1.260 12.950 16.242 224 HG2 GLU 32 HG2 GLU 32 -1.070 15.278 17.007 225 HG3 GLU 32 HG3 GLU 32 -2.152 15.828 15.743 226 HE2 GLU 32 HE2 GLU 32 -3.026 13.525 18.760 227 H LYS 33 HN LYS 33 1.698 13.563 13.298 228 HA LYS 33 HA LYS 33 3.857 13.660 13.841 229 HB2 LYS 33 HB2 LYS 33 2.877 15.455 15.625 230 HB3 LYS 33 HB3 LYS 33 3.512 14.251 16.729 231 HG2 LYS 33 HG2 LYS 33 5.648 14.325 15.148 232 HG3 LYS 33 HG3 LYS 33 4.995 15.869 14.640 233 HD2 LYS 33 HD2 LYS 33 5.381 16.878 16.693 234 HD3 LYS 33 HD3 LYS 33 5.085 15.406 17.598 235 HE2 LYS 33 HE2 LYS 33 7.285 14.721 17.476 236 HE3 LYS 33 HE3 LYS 33 7.490 15.305 15.837 237 HZ1 LYS 33 HZ1 LYS 33 7.209 17.608 17.214 238 HZ2 LYS 33 HZ2 LYS 33 7.983 16.698 18.321 239 H GLY 34 HN GLY 34 3.717 11.375 13.363 240 HA2 GLY 34 HA1 GLY 34 4.961 9.581 14.688 241 HA3 GLY 34 HA2 GLY 34 3.566 9.644 15.746 242 HA PRO 35 HA PRO 35 2.698 7.475 11.468 243 HB2 PRO 35 HB2 PRO 35 4.576 5.495 11.117 244 HB3 PRO 35 HB3 PRO 35 4.804 7.174 10.526 245 HG2 PRO 35 HG2 PRO 35 5.885 5.874 13.132 246 HG3 PRO 35 HG3 PRO 35 6.661 6.844 11.838 247 HD2 PRO 35 HD2 PRO 35 5.684 7.898 14.235 248 HD3 PRO 35 HD3 PRO 35 5.781 8.835 12.713 249 H GLY 36 HN GLY 36 2.900 4.601 11.315 250 HA2 GLY 36 HA1 GLY 36 2.354 2.677 12.425 251 HA3 GLY 36 HA2 GLY 36 2.279 3.550 13.943 252 H LYS 37 HN LYS 37 0.262 1.999 13.986 253 HA LYS 37 HA LYS 37 -1.951 2.628 12.385 254 HB2 LYS 37 HB2 LYS 37 -1.439 1.057 14.869 255 HB3 LYS 37 HB3 LYS 37 -3.097 1.519 14.543 256 HG2 LYS 37 HG2 LYS 37 -1.249 0.009 12.636 257 HG3 LYS 37 HG3 LYS 37 -2.594 -0.678 13.524 258 HD2 LYS 37 HD2 LYS 37 -3.906 1.355 12.268 259 HD3 LYS 37 HD3 LYS 37 -2.620 1.098 11.105 260 HE2 LYS 37 HE2 LYS 37 -3.387 -1.511 11.643 261 HE3 LYS 37 HE3 LYS 37 -4.913 -0.666 11.809 262 HZ1 LYS 37 HZ1 LYS 37 -3.131 -0.477 9.438 263 HZ2 LYS 37 HZ2 LYS 37 -4.516 -1.331 9.502 264 H ILE 38 HN ILE 38 -3.425 4.255 12.456 265 HA ILE 38 HA ILE 38 -2.961 6.366 14.329 266 HB ILE 38 HB ILE 38 -4.754 5.915 11.974 267 HG12 ILE 38 HG1 ILE 38 -2.957 8.274 12.450 268 HG23 ILE 38 HG2 ILE 38 -5.208 7.810 14.214 269 HD11 ILE 38 HD1 ILE 38 -2.831 8.281 10.049 270 H GLU 39 HN GLU 39 -3.420 5.655 16.420 271 HA GLU 39 HA GLU 39 -4.600 4.715 18.046 272 HB2 GLU 39 HB2 GLU 39 -5.329 7.230 17.614 273 HB3 GLU 39 HB3 GLU 39 -6.874 6.517 17.195 274 HG2 GLU 39 HG2 GLU 39 -7.351 6.479 19.414 275 HG3 GLU 39 HG3 GLU 39 -6.175 5.189 19.571 276 HE2 GLU 39 HE2 GLU 39 -6.814 7.751 21.205 277 H GLY 40 HN GLY 40 -7.751 4.952 17.903 278 HA2 GLY 40 HA1 GLY 40 -8.100 2.295 16.701 279 HA3 GLY 40 HA2 GLY 40 -9.146 3.071 17.873 280 H PHE 41 HN PHE 41 -7.766 4.101 14.665 281 HA PHE 41 HA PHE 41 -9.644 5.734 13.788 282 HB2 PHE 41 HB2 PHE 41 -7.640 4.942 12.512 283 HB3 PHE 41 HB3 PHE 41 -8.347 3.347 12.345 284 HD1 PHE 41 HD1 PHE 41 -8.446 6.809 11.161 285 HD2 PHE 41 HD2 PHE 41 -10.097 2.924 10.721 286 HE1 PHE 41 HE1 PHE 41 -9.485 7.497 8.982 287 HE2 PHE 41 HE2 PHE 41 -11.135 3.612 8.541 288 HZ PHE 41 HZ PHE 41 -10.816 5.890 7.698 289 H GLY 42 HN GLY 42 -11.822 5.552 14.236 290 HA2 GLY 42 HA1 GLY 42 -13.153 2.997 13.731 291 HA3 GLY 42 HA2 GLY 42 -13.807 4.394 14.562 292 H LYS 43 HN LYS 43 -15.422 3.216 12.688 293 HA LYS 43 HA LYS 43 -15.066 4.197 10.078 294 HB2 LYS 43 HB2 LYS 43 -17.323 2.957 11.623 295 HB3 LYS 43 HB3 LYS 43 -17.650 3.684 10.063 296 HG2 LYS 43 HG2 LYS 43 -17.119 1.266 9.836 297 HG3 LYS 43 HG3 LYS 43 -15.947 2.256 8.988 298 HD2 LYS 43 HD2 LYS 43 -15.348 1.558 11.856 299 HD3 LYS 43 HD3 LYS 43 -15.208 0.275 10.671 300 HE2 LYS 43 HE2 LYS 43 -13.930 2.466 9.439 301 HE3 LYS 43 HE3 LYS 43 -13.452 2.596 11.120 302 HZ1 LYS 43 HZ1 LYS 43 -12.856 0.456 9.223 303 HZ2 LYS 43 HZ2 LYS 43 -11.912 1.080 10.395 304 H GLU 44 HN GLU 44 -16.409 5.554 13.068 305 HA GLU 44 HA GLU 44 -17.840 7.605 11.806 306 HB2 GLU 44 HB2 GLU 44 -18.287 8.385 13.973 307 HB3 GLU 44 HB3 GLU 44 -18.000 6.678 14.246 308 HG2 GLU 44 HG2 GLU 44 -15.813 8.793 14.496 309 HG3 GLU 44 HG3 GLU 44 -16.794 8.270 15.851 310 HE2 GLU 44 HE2 GLU 44 -15.445 5.093 15.988 311 H MET 45 HN MET 45 -14.488 7.273 13.061 312 HA MET 45 HA MET 45 -13.803 9.942 12.901 313 HB2 MET 45 HB2 MET 45 -12.583 7.521 13.606 314 HB3 MET 45 HB3 MET 45 -11.679 7.973 12.175 315 HG2 MET 45 HG2 MET 45 -10.436 9.250 13.615 316 HG3 MET 45 HG3 MET 45 -11.760 10.391 13.501 317 HE1 MET 45 HE1 MET 45 -14.030 10.060 15.807 318 HE2 MET 45 HE2 MET 45 -12.818 10.958 16.752 319 HE3 MET 45 HE3 MET 45 -12.931 11.199 14.992 320 H ALA 46 HN ALA 46 -13.857 7.342 10.430 321 HA ALA 46 HA ALA 46 -12.342 8.498 8.463 322 HB1 ALA 46 HB1 ALA 46 -13.475 7.012 6.979 323 HB2 ALA 46 HB2 ALA 46 -13.471 6.200 8.563 324 HB3 ALA 46 HB3 ALA 46 -14.945 7.011 7.982 325 H HIS 47 HN HIS 47 -15.894 8.679 8.762 326 HA HIS 47 HA HIS 47 -16.164 10.825 6.850 327 HB2 HIS 47 HB2 HIS 47 -18.143 9.915 9.009 328 HB3 HIS 47 HB3 HIS 47 -18.504 10.797 7.463 329 HD1 HIS 47 HD1 HIS 47 -19.357 7.845 8.672 330 HD2 HIS 47 HD2 HIS 47 -16.988 8.749 5.349 331 HE1 HIS 47 HE1 HIS 47 -19.480 5.790 7.121 332 H GLY 48 HN GLY 48 -14.982 10.766 10.075 333 HA2 GLY 48 HA1 GLY 48 -16.006 13.300 10.943 334 HA3 GLY 48 HA2 GLY 48 -14.727 12.351 11.674 335 H LYS 49 HN LYS 49 -12.954 13.667 11.854 336 HA LYS 49 HA LYS 49 -12.297 15.315 9.518 337 HB2 LYS 49 HB2 LYS 49 -11.993 15.688 12.467 338 HB3 LYS 49 HB3 LYS 49 -10.752 16.365 11.432 339 HG2 LYS 49 HG2 LYS 49 -12.245 17.834 10.357 340 HG3 LYS 49 HG3 LYS 49 -13.642 16.828 10.682 341 HD2 LYS 49 HD2 LYS 49 -14.020 17.790 12.726 342 HD3 LYS 49 HD3 LYS 49 -12.320 17.789 13.151 343 HE2 LYS 49 HE2 LYS 49 -12.845 20.098 12.977 344 HE3 LYS 49 HE3 LYS 49 -12.058 19.743 11.453 345 HZ1 LYS 49 HZ1 LYS 49 -14.434 20.917 11.585 346 HZ2 LYS 49 HZ2 LYS 49 -14.014 19.984 10.318 347 H GLY 50 HN GLY 50 -11.767 12.668 9.132 348 HA2 GLY 50 HA1 GLY 50 -8.850 12.668 9.135 349 HA3 GLY 50 HA2 GLY 50 -9.634 11.364 10.003 350 H CYS 51 HN CYS 51 -10.993 12.966 7.090 351 HA CYS 51 HA CYS 51 -9.988 11.265 5.177 352 HB2 CYS 51 HB2 CYS 51 -11.489 9.710 6.777 353 HB3 CYS 51 HB3 CYS 51 -12.744 10.284 5.697 354 H LYS 52 HN LYS 52 -13.417 12.146 6.035 355 HA LYS 52 HA LYS 52 -13.596 13.619 3.546 356 HB2 LYS 52 HB2 LYS 52 -15.375 12.041 4.185 357 HB3 LYS 52 HB3 LYS 52 -15.687 12.961 5.643 358 HG2 LYS 52 HG2 LYS 52 -16.469 14.871 4.410 359 HG3 LYS 52 HG3 LYS 52 -15.788 14.284 2.905 360 HD2 LYS 52 HD2 LYS 52 -17.913 13.535 2.496 361 HD3 LYS 52 HD3 LYS 52 -17.453 12.189 3.520 362 HE2 LYS 52 HE2 LYS 52 -19.122 12.764 4.945 363 HE3 LYS 52 HE3 LYS 52 -18.245 14.233 5.324 364 HZ1 LYS 52 HZ1 LYS 52 -19.747 14.317 2.839 365 HZ2 LYS 52 HZ2 LYS 52 -20.663 14.225 4.182 366 H GLY 53 HN GLY 53 -14.156 14.211 7.088 367 HA2 GLY 53 HA1 GLY 53 -14.766 16.782 7.238 368 HA3 GLY 53 HA2 GLY 53 -13.570 16.057 8.294 369 H CYS 54 HN CYS 54 -11.451 15.543 6.452 370 HA CYS 54 HA CYS 54 -10.128 17.935 6.477 371 HB2 CYS 54 HB2 CYS 54 -9.547 15.297 5.734 372 HB3 CYS 54 HB3 CYS 54 -9.226 16.233 4.287 373 H HIS 55 HN HIS 55 -11.088 16.238 3.492 374 HA HIS 55 HA HIS 55 -10.894 18.264 1.643 375 HB2 HIS 55 HB2 HIS 55 -13.228 16.287 1.668 376 HB3 HIS 55 HB3 HIS 55 -12.352 16.999 0.245 377 HD1 HIS 55 HD1 HIS 55 -12.700 13.975 1.939 378 HD2 HIS 55 HD2 HIS 55 -9.393 16.045 0.440 379 HE1 HIS 55 HE1 HIS 55 -10.830 12.226 1.645 380 H GLU 56 HN GLU 56 -13.770 17.631 3.798 381 HA GLU 56 HA GLU 56 -15.438 19.500 2.799 382 HB2 GLU 56 HB2 GLU 56 -16.305 18.119 4.498 383 HB3 GLU 56 HB3 GLU 56 -14.968 18.434 5.586 384 HG2 GLU 56 HG2 GLU 56 -15.765 20.826 5.807 385 HG3 GLU 56 HG3 GLU 56 -17.146 20.429 4.805 386 HE2 GLU 56 HE2 GLU 56 -19.043 19.382 6.513 387 H GLU 57 HN GLU 57 -12.527 19.964 4.801 388 HA GLU 57 HA GLU 57 -13.136 22.802 4.925 389 HB2 GLU 57 HB2 GLU 57 -12.266 21.134 6.908 390 HB3 GLU 57 HB3 GLU 57 -10.723 21.715 6.315 391 HG2 GLU 57 HG2 GLU 57 -12.201 24.065 6.413 392 HG3 GLU 57 HG3 GLU 57 -12.859 23.179 7.775 393 HE2 GLU 57 HE2 GLU 57 -8.964 23.314 7.448 394 H MET 58 HN MET 58 -10.620 20.413 3.926 395 HA MET 58 HA MET 58 -8.729 22.202 3.081 396 HB2 MET 58 HB2 MET 58 -9.049 19.449 3.123 397 HB3 MET 58 HB3 MET 58 -9.154 19.750 1.400 398 HG2 MET 58 HG2 MET 58 -6.855 19.598 1.521 399 HG3 MET 58 HG3 MET 58 -6.980 21.292 1.952 400 HE1 MET 58 HE1 MET 58 -4.914 21.656 4.130 401 HE2 MET 58 HE2 MET 58 -4.169 20.040 4.108 402 HE3 MET 58 HE3 MET 58 -4.716 20.789 2.589 403 H LYS 59 HN LYS 59 -11.879 21.554 1.768 404 HA LYS 59 HA LYS 59 -12.958 22.305 -0.004 405 HB2 LYS 59 HB2 LYS 59 -10.844 24.330 0.404 406 HB3 LYS 59 HB3 LYS 59 -11.549 24.322 -1.200 407 HG2 LYS 59 HG2 LYS 59 -13.847 24.403 -0.162 408 HG3 LYS 59 HG3 LYS 59 -13.106 24.486 1.424 409 HD2 LYS 59 HD2 LYS 59 -12.450 26.503 -0.764 410 HD3 LYS 59 HD3 LYS 59 -13.802 26.730 0.328 411 HE2 LYS 59 HE2 LYS 59 -11.529 26.026 1.943 412 HE3 LYS 59 HE3 LYS 59 -10.990 27.246 0.806 413 HZ1 LYS 59 HZ1 LYS 59 -11.970 28.205 2.849 414 HZ2 LYS 59 HZ2 LYS 59 -12.794 28.681 1.528 415 H LYS 60 HN LYS 60 -10.486 20.329 -0.102 416 HA LYS 60 HA LYS 60 -10.586 20.123 -3.016 417 HB2 LYS 60 HB2 LYS 60 -8.119 19.435 -2.891 418 HB3 LYS 60 HB3 LYS 60 -8.500 21.143 -2.809 419 HG2 LYS 60 HG2 LYS 60 -8.561 20.700 -0.178 420 HG3 LYS 60 HG3 LYS 60 -7.598 19.295 -0.590 421 HD2 LYS 60 HD2 LYS 60 -6.866 22.071 -1.604 422 HD3 LYS 60 HD3 LYS 60 -6.339 21.507 -0.031 423 HE2 LYS 60 HE2 LYS 60 -4.736 20.155 -0.933 424 HE3 LYS 60 HE3 LYS 60 -5.845 19.488 -2.115 425 HZ1 LYS 60 HZ1 LYS 60 -4.044 20.796 -3.148 426 HZ2 LYS 60 HZ2 LYS 60 -5.495 21.444 -3.500 427 H GLY 61 HN GLY 61 -11.021 18.075 -3.715 428 HA2 GLY 61 HA1 GLY 61 -10.544 15.703 -3.411 429 HA3 GLY 61 HA2 GLY 61 -10.816 15.922 -1.694 430 HA PRO 62 HA PRO 62 -14.900 14.968 -3.727 431 HB2 PRO 62 HB2 PRO 62 -14.938 12.250 -3.877 432 HB3 PRO 62 HB3 PRO 62 -14.098 13.250 -5.107 433 HG2 PRO 62 HG2 PRO 62 -12.533 11.539 -2.922 434 HG3 PRO 62 HG3 PRO 62 -12.509 12.235 -4.576 435 HD2 PRO 62 HD2 PRO 62 -11.660 13.421 -1.943 436 HD3 PRO 62 HD3 PRO 62 -11.145 13.857 -3.601 437 H THR 63 HN THR 63 -16.798 14.476 -2.476 438 HA THR 63 HA THR 63 -16.202 13.432 0.215 439 HB THR 63 HB THR 63 -18.015 15.014 0.972 440 HG1 THR 63 HG1 THR 63 -18.585 16.596 -0.803 441 HG21 THR 63 HG2 THR 63 -16.832 17.198 0.391 442 H LYS 64 HN LYS 64 -17.839 12.973 -2.755 443 HA LYS 64 HA LYS 64 -20.197 11.786 -1.784 444 HB2 LYS 64 HB2 LYS 64 -18.706 11.622 -4.409 445 HB3 LYS 64 HB3 LYS 64 -20.200 10.752 -4.124 446 HG2 LYS 64 HG2 LYS 64 -21.465 12.639 -4.322 447 HG3 LYS 64 HG3 LYS 64 -20.413 13.557 -3.263 448 HD2 LYS 64 HD2 LYS 64 -18.783 13.397 -5.439 449 HD3 LYS 64 HD3 LYS 64 -20.331 13.280 -6.252 450 HE2 LYS 64 HE2 LYS 64 -19.731 15.465 -4.209 451 HE3 LYS 64 HE3 LYS 64 -19.379 15.659 -5.915 452 HZ1 LYS 64 HZ1 LYS 64 -21.527 16.173 -6.225 453 HZ2 LYS 64 HZ2 LYS 64 -22.009 14.712 -5.690 454 H CYS 65 HN CYS 65 -20.756 9.463 -1.826 455 HA CYS 65 HA CYS 65 -18.802 7.988 -0.431 456 HB2 CYS 65 HB2 CYS 65 -21.088 6.523 -1.590 457 HB3 CYS 65 HB3 CYS 65 -20.459 6.535 0.045 458 H GLY 66 HN GLY 66 -20.465 7.475 -3.637 459 HA2 GLY 66 HA1 GLY 66 -19.082 5.355 -4.602 460 HA3 GLY 66 HA2 GLY 66 -19.664 6.679 -5.592 461 H GLU 67 HN GLU 67 -17.838 8.598 -3.954 462 HA GLU 67 HA GLU 67 -15.648 8.347 -5.735 463 HB2 GLU 67 HB2 GLU 67 -16.215 10.268 -3.437 464 HB3 GLU 67 HB3 GLU 67 -14.820 10.405 -4.488 465 HG2 GLU 67 HG2 GLU 67 -17.677 10.325 -5.555 466 HG3 GLU 67 HG3 GLU 67 -16.871 11.822 -5.131 467 HE2 GLU 67 HE2 GLU 67 -17.663 10.684 -7.737 468 H CYS 68 HN CYS 68 -16.260 7.791 -2.238 469 HA CYS 68 HA CYS 68 -13.480 7.064 -1.864 470 HB2 CYS 68 HB2 CYS 68 -15.762 7.736 -0.068 471 HB3 CYS 68 HB3 CYS 68 -14.594 6.583 0.547 472 H HIS 69 HN HIS 69 -16.772 5.755 -1.438 473 HA HIS 69 HA HIS 69 -15.771 2.988 -1.216 474 HB2 HIS 69 HB2 HIS 69 -18.582 4.216 -1.154 475 HB3 HIS 69 HB3 HIS 69 -18.200 2.461 -0.889 476 HD1 HIS 69 HD1 HIS 69 -16.681 1.990 1.236 477 HD2 HIS 69 HD2 HIS 69 -18.526 5.739 1.123 478 HE1 HIS 69 HE1 HIS 69 -16.634 2.887 3.652 479 H LYS 70 HN LYS 70 -15.756 1.463 -2.823 480 HA LYS 70 HA LYS 70 -17.324 1.902 -5.207 481 HB2 LYS 70 HB2 LYS 70 -15.280 3.226 -5.631 482 HB3 LYS 70 HB3 LYS 70 -14.295 1.805 -5.349 483 HG2 LYS 70 HG2 LYS 70 -16.459 1.292 -7.291 484 HG3 LYS 70 HG3 LYS 70 -15.403 2.591 -7.807 485 HD2 LYS 70 HD2 LYS 70 -13.476 0.887 -7.048 486 HD3 LYS 70 HD3 LYS 70 -14.733 -0.309 -7.291 487 HE2 LYS 70 HE2 LYS 70 -14.554 1.672 -9.495 488 HE3 LYS 70 HE3 LYS 70 -13.091 0.729 -9.288 489 HZ1 LYS 70 HZ1 LYS 70 -14.250 -0.770 -10.521 490 HZ2 LYS 70 HZ2 LYS 70 -14.965 -1.183 -9.117 491 H LYS 71 HN LYS 71 -17.586 -0.042 -6.452 492 HA LYS 71 HA LYS 71 -16.673 -2.415 -4.980 493 HB2 LYS 71 HB2 LYS 71 -19.264 -1.610 -5.358 494 HB3 LYS 71 HB3 LYS 71 -19.038 -2.677 -6.730 495 HG2 LYS 71 HG2 LYS 71 -17.817 -4.011 -4.531 496 HG3 LYS 71 HG3 LYS 71 -19.314 -3.354 -3.900 497 HD2 LYS 71 HD2 LYS 71 -19.971 -5.461 -4.759 498 HD3 LYS 71 HD3 LYS 71 -20.449 -4.347 -6.024 499 HE2 LYS 71 HE2 LYS 71 -18.441 -4.864 -7.334 500 HE3 LYS 71 HE3 LYS 71 -17.770 -5.813 -6.023 501 HZ1 LYS 71 HZ1 LYS 71 -18.767 -7.371 -7.459 502 HZ2 LYS 71 HZ2 LYS 71 -19.874 -7.229 -6.273 Start of MODEL 2 1 H1 ALA 1 HN ALA 1 0.552 -1.481 -1.021 2 HA ALA 1 HA ALA 1 2.106 0.073 -0.597 3 HB1 ALA 1 HB1 ALA 1 3.292 -1.075 -3.121 4 HB2 ALA 1 HB2 ALA 1 3.919 0.457 -2.466 5 HB3 ALA 1 HB3 ALA 1 3.970 -1.021 -1.476 6 H ASP 2 HN ASP 2 2.380 2.369 -1.127 7 HA ASP 2 HA ASP 2 1.770 4.274 -1.968 8 HB2 ASP 2 HB2 ASP 2 2.346 3.996 -4.185 9 HB3 ASP 2 HB3 ASP 2 1.471 2.485 -4.331 10 HD2 ASP 2 HD2 ASP 2 -0.310 5.913 -5.319 11 H ASP 3 HN ASP 3 -0.611 1.719 -3.023 12 HA ASP 3 HA ASP 3 -2.754 3.497 -2.248 13 HB2 ASP 3 HB2 ASP 3 -2.546 1.959 -4.432 14 HB3 ASP 3 HB3 ASP 3 -3.173 0.719 -3.365 15 HD2 ASP 3 HD2 ASP 3 -5.289 0.995 -2.636 16 H ILE 4 HN ILE 4 -4.029 3.070 -0.399 17 HA ILE 4 HA ILE 4 -3.418 0.567 1.016 18 HB ILE 4 HB ILE 4 -3.992 3.321 2.108 19 HG12 ILE 4 HG1 ILE 4 -1.535 1.650 1.793 20 HG23 ILE 4 HG2 ILE 4 -5.077 1.343 3.335 21 HD11 ILE 4 HD1 ILE 4 -2.276 3.311 4.208 22 H VAL 5 HN VAL 5 -5.081 -0.831 0.849 23 HA VAL 5 HA VAL 5 -7.723 0.211 0.311 24 HB VAL 5 HB VAL 5 -6.522 -2.555 0.466 25 HG13 VAL 5 HG1 VAL 5 -8.544 -3.486 0.611 26 HG21 VAL 5 HG2 VAL 5 -7.798 -1.313 -1.958 27 H LEU 6 HN LEU 6 -9.203 0.655 1.857 28 HA LEU 6 HA LEU 6 -8.627 -0.332 4.547 29 HB2 LEU 6 HB2 LEU 6 -10.505 1.851 3.630 30 HB3 LEU 6 HB3 LEU 6 -10.140 1.426 5.290 31 HG LEU 6 HG LEU 6 -7.988 2.337 3.377 32 HD13 LEU 6 HD1 LEU 6 -8.356 4.566 3.804 33 HD21 LEU 6 HD2 LEU 6 -8.140 2.454 6.401 34 H LYS 7 HN LYS 7 -9.330 -2.526 4.124 35 HA LYS 7 HA LYS 7 -11.532 -3.441 2.975 36 HB2 LYS 7 HB2 LYS 7 -10.075 -4.236 5.458 37 HB3 LYS 7 HB3 LYS 7 -11.606 -5.022 5.129 38 HG2 LYS 7 HG2 LYS 7 -10.269 -4.998 2.631 39 HG3 LYS 7 HG3 LYS 7 -9.015 -5.375 3.796 40 HD2 LYS 7 HD2 LYS 7 -10.242 -7.288 4.642 41 HD3 LYS 7 HD3 LYS 7 -11.701 -6.815 3.795 42 HE2 LYS 7 HE2 LYS 7 -10.547 -7.182 1.602 43 HE3 LYS 7 HE3 LYS 7 -9.088 -7.657 2.450 44 HZ1 LYS 7 HZ1 LYS 7 -10.447 -9.460 3.505 45 HZ2 LYS 7 HZ2 LYS 7 -11.697 -9.070 2.536 46 H ALA 8 HN ALA 8 -13.586 -2.716 2.899 47 HA ALA 8 HA ALA 8 -14.723 -1.726 5.424 48 HB1 ALA 8 HB1 ALA 8 -14.516 -0.546 2.780 49 HB2 ALA 8 HB2 ALA 8 -16.225 -0.742 3.239 50 HB3 ALA 8 HB3 ALA 8 -15.119 0.174 4.291 51 H LYS 9 HN LYS 9 -17.167 -2.023 5.536 52 HA LYS 9 HA LYS 9 -17.741 -4.734 4.667 53 HB2 LYS 9 HB2 LYS 9 -18.047 -3.727 7.062 54 HB3 LYS 9 HB3 LYS 9 -19.526 -3.053 6.411 55 HG2 LYS 9 HG2 LYS 9 -20.131 -5.410 5.601 56 HG3 LYS 9 HG3 LYS 9 -18.747 -6.003 6.497 57 HD2 LYS 9 HD2 LYS 9 -20.330 -4.245 8.201 58 HD3 LYS 9 HD3 LYS 9 -21.369 -5.467 7.496 59 HE2 LYS 9 HE2 LYS 9 -19.565 -7.195 8.211 60 HE3 LYS 9 HE3 LYS 9 -18.858 -5.907 9.165 61 HZ1 LYS 9 HZ1 LYS 9 -20.427 -6.244 10.717 62 HZ2 LYS 9 HZ2 LYS 9 -21.642 -6.008 9.658 63 H ASN 10 HN ASN 10 -18.415 -1.406 3.836 64 HA ASN 10 HA ASN 10 -20.440 -2.405 1.992 65 HB2 ASN 10 HB2 ASN 10 -21.651 -1.017 3.543 66 HB3 ASN 10 HB3 ASN 10 -20.362 0.167 3.624 67 HD21 ASN 10 HD2 ASN 10 -21.798 2.213 1.253 68 H GLY 11 HN GLY 11 -18.210 -2.640 0.766 69 HA2 GLY 11 HA1 GLY 11 -17.245 -1.885 -1.181 70 HA3 GLY 11 HA2 GLY 11 -17.866 -0.272 -0.889 71 H ASP 12 HN ASP 12 -15.045 -1.586 -1.411 72 HA ASP 12 HA ASP 12 -13.620 -0.938 0.946 73 HB2 ASP 12 HB2 ASP 12 -12.279 -1.102 -1.747 74 HB3 ASP 12 HB3 ASP 12 -11.729 -1.724 -0.204 75 HD2 ASP 12 HD2 ASP 12 -13.610 -4.068 -2.708 76 H VAL 13 HN VAL 13 -11.601 0.664 0.633 77 HA VAL 13 HA VAL 13 -12.479 2.981 -0.942 78 HB VAL 13 HB VAL 13 -11.387 2.923 1.876 79 HG13 VAL 13 HG1 VAL 13 -11.354 5.025 -0.168 80 HG21 VAL 13 HG2 VAL 13 -13.693 4.395 1.932 81 H LYS 14 HN LYS 14 -11.048 3.093 -2.603 82 HA LYS 14 HA LYS 14 -8.362 2.141 -2.232 83 HB2 LYS 14 HB2 LYS 14 -9.470 1.640 -4.305 84 HB3 LYS 14 HB3 LYS 14 -9.848 3.328 -4.588 85 HG2 LYS 14 HG2 LYS 14 -7.181 3.606 -4.364 86 HG3 LYS 14 HG3 LYS 14 -7.192 1.912 -4.812 87 HD2 LYS 14 HD2 LYS 14 -9.008 3.535 -6.488 88 HD3 LYS 14 HD3 LYS 14 -7.346 4.081 -6.580 89 HE2 LYS 14 HE2 LYS 14 -6.680 1.625 -6.986 90 HE3 LYS 14 HE3 LYS 14 -8.388 1.270 -7.151 91 HZ1 LYS 14 HZ1 LYS 14 -8.358 3.148 -8.888 92 HZ2 LYS 14 HZ2 LYS 14 -6.736 2.994 -8.889 93 H PHE 15 HN PHE 15 -7.456 3.505 -0.631 94 HA PHE 15 HA PHE 15 -7.331 6.335 -1.348 95 HB2 PHE 15 HB2 PHE 15 -8.113 5.590 0.948 96 HB3 PHE 15 HB3 PHE 15 -6.609 4.720 1.171 97 HD1 PHE 15 HD2 PHE 15 -7.632 8.185 0.194 98 HD2 PHE 15 HD1 PHE 15 -5.091 5.742 2.556 99 HE1 PHE 15 HE2 PHE 15 -6.593 10.237 1.199 100 HE2 PHE 15 HE1 PHE 15 -4.053 7.794 3.561 101 HZ PHE 15 HZ PHE 15 -4.816 10.017 2.871 102 HA PRO 16 HA PRO 16 -3.130 5.509 -2.571 103 HB2 PRO 16 HB2 PRO 16 -2.770 7.867 -3.910 104 HB3 PRO 16 HB3 PRO 16 -3.812 6.552 -4.548 105 HG2 PRO 16 HG2 PRO 16 -4.948 9.245 -3.305 106 HG3 PRO 16 HG3 PRO 16 -5.071 7.942 -4.532 107 HD2 PRO 16 HD2 PRO 16 -6.159 8.084 -1.755 108 HD3 PRO 16 HD3 PRO 16 -6.597 6.966 -3.081 109 H HIS 17 HN HIS 17 -2.089 5.534 -0.583 110 HA HIS 17 HA HIS 17 -1.874 7.860 1.098 111 HB2 HIS 17 HB2 HIS 17 -1.686 5.431 1.767 112 HB3 HIS 17 HB3 HIS 17 -0.052 5.397 0.977 113 HD1 HIS 17 HD1 HIS 17 1.843 6.139 2.318 114 HD2 HIS 17 HD2 HIS 17 -1.785 7.152 4.129 115 HE1 HIS 17 HE1 HIS 17 2.432 7.012 4.670 116 H LYS 18 HN LYS 18 0.577 6.268 -1.117 117 HA LYS 18 HA LYS 18 2.580 8.085 -0.820 118 HB2 LYS 18 HB2 LYS 18 3.034 6.133 -2.037 119 HB3 LYS 18 HB3 LYS 18 1.692 6.378 -3.138 120 HG2 LYS 18 HG2 LYS 18 3.095 7.433 -4.570 121 HG3 LYS 18 HG3 LYS 18 3.310 8.709 -3.388 122 HD2 LYS 18 HD2 LYS 18 4.932 6.570 -2.458 123 HD3 LYS 18 HD3 LYS 18 5.180 6.603 -4.193 124 HE2 LYS 18 HE2 LYS 18 5.170 9.317 -3.043 125 HE3 LYS 18 HE3 LYS 18 6.391 8.303 -2.301 126 HZ1 LYS 18 HZ1 LYS 18 7.125 7.721 -4.610 127 HZ2 LYS 18 HZ2 LYS 18 6.091 8.828 -5.207 128 H ALA 19 HN ALA 19 -0.495 8.415 -2.580 129 HA ALA 19 HA ALA 19 0.300 10.773 -3.969 130 HB1 ALA 19 HB1 ALA 19 -1.484 9.147 -4.690 131 HB2 ALA 19 HB2 ALA 19 -2.491 9.733 -3.344 132 HB3 ALA 19 HB3 ALA 19 -2.021 10.843 -4.654 133 H HIS 20 HN HIS 20 -1.324 9.958 -0.954 134 HA HIS 20 HA HIS 20 -1.880 12.776 -0.292 135 HB2 HIS 20 HB2 HIS 20 -2.501 10.044 0.846 136 HB3 HIS 20 HB3 HIS 20 -2.527 11.472 1.967 137 HD1 HIS 20 HD1 HIS 20 -4.095 10.346 -1.289 138 HD2 HIS 20 HD2 HIS 20 -4.911 12.803 1.991 139 HE1 HIS 20 HE1 HIS 20 -6.520 11.167 -1.592 140 H GLN 21 HN GLN 21 0.967 11.382 -0.610 141 HA GLN 21 HA GLN 21 1.955 12.134 2.018 142 HB2 GLN 21 HB2 GLN 21 2.494 9.890 0.587 143 HB3 GLN 21 HB3 GLN 21 3.774 10.915 -0.030 144 HG2 GLN 21 HG2 GLN 21 3.262 10.100 2.856 145 HG3 GLN 21 HG3 GLN 21 4.692 9.797 1.890 146 HE21 GLN 21 HE2 GLN 21 6.356 12.620 2.958 147 H LYS 22 HN LYS 22 1.136 13.804 -0.560 148 HA LYS 22 HA LYS 22 3.232 15.721 -0.204 149 HB2 LYS 22 HB2 LYS 22 3.674 13.843 -2.198 150 HB3 LYS 22 HB3 LYS 22 2.963 15.184 -3.072 151 HG2 LYS 22 HG2 LYS 22 4.684 16.682 -2.465 152 HG3 LYS 22 HG3 LYS 22 5.119 15.768 -1.034 153 HD2 LYS 22 HD2 LYS 22 6.185 14.031 -2.353 154 HD3 LYS 22 HD3 LYS 22 5.515 14.660 -3.846 155 HE2 LYS 22 HE2 LYS 22 7.862 15.341 -3.684 156 HE3 LYS 22 HE3 LYS 22 6.851 16.766 -3.546 157 HZ1 LYS 22 HZ1 LYS 22 8.443 16.878 -1.800 158 HZ2 LYS 22 HZ2 LYS 22 7.056 16.458 -1.056 159 H ALA 23 HN ALA 23 0.572 15.799 0.565 160 HA ALA 23 HA ALA 23 -0.334 18.011 -1.033 161 HB1 ALA 23 HB1 ALA 23 -1.859 15.388 -0.880 162 HB2 ALA 23 HB2 ALA 23 -2.640 16.937 -1.277 163 HB3 ALA 23 HB3 ALA 23 -1.364 16.289 -2.334 164 H VAL 24 HN VAL 24 0.751 17.787 1.596 165 HA VAL 24 HA VAL 24 -1.494 18.842 3.064 166 HB VAL 24 HB VAL 24 0.080 16.698 4.433 167 HG13 VAL 24 HG1 VAL 24 -1.257 17.894 5.933 168 HG21 VAL 24 HG2 VAL 24 -0.752 15.679 2.324 169 HA PRO 25 HA PRO 25 1.924 21.400 4.188 170 HB2 PRO 25 HB2 PRO 25 0.559 23.303 5.511 171 HB3 PRO 25 HB3 PRO 25 0.260 23.031 3.764 172 HG2 PRO 25 HG2 PRO 25 -1.318 21.793 6.106 173 HG3 PRO 25 HG3 PRO 25 -2.010 22.730 4.741 174 HD2 PRO 25 HD2 PRO 25 -1.893 20.000 4.700 175 HD3 PRO 25 HD3 PRO 25 -1.582 20.953 3.217 176 H ASP 26 HN ASP 26 0.892 18.912 5.866 177 HA ASP 26 HA ASP 26 2.595 19.268 7.963 178 HB2 ASP 26 HB2 ASP 26 0.474 20.865 8.502 179 HB3 ASP 26 HB3 ASP 26 -0.192 19.361 9.104 180 HD2 ASP 26 HD2 ASP 26 1.481 19.549 12.034 181 H CYS 27 HN CYS 27 2.888 17.061 7.049 182 HA CYS 27 HA CYS 27 0.982 15.159 6.758 183 HB2 CYS 27 HB2 CYS 27 3.020 14.523 5.950 184 HB3 CYS 27 HB3 CYS 27 3.897 15.104 7.351 185 H LYS 28 HN LYS 28 2.357 16.559 9.702 186 HA LYS 28 HA LYS 28 1.655 14.476 11.463 187 HB2 LYS 28 HB2 LYS 28 2.329 17.399 11.801 188 HB3 LYS 28 HB3 LYS 28 1.840 16.416 13.165 189 HG2 LYS 28 HG2 LYS 28 4.040 15.470 11.294 190 HG3 LYS 28 HG3 LYS 28 4.396 16.596 12.589 191 HD2 LYS 28 HD2 LYS 28 3.016 14.793 14.047 192 HD3 LYS 28 HD3 LYS 28 3.524 13.716 12.760 193 HE2 LYS 28 HE2 LYS 28 5.533 15.538 14.136 194 HE3 LYS 28 HE3 LYS 28 5.085 14.004 14.854 195 HZ1 LYS 28 HZ1 LYS 28 6.234 12.878 13.272 196 HZ2 LYS 28 HZ2 LYS 28 5.753 13.831 12.043 197 H LYS 29 HN LYS 29 -0.243 16.581 9.571 198 HA LYS 29 HA LYS 29 -2.294 17.334 11.215 199 HB2 LYS 29 HB2 LYS 29 -2.004 18.000 8.854 200 HB3 LYS 29 HB3 LYS 29 -2.467 16.391 8.337 201 HG2 LYS 29 HG2 LYS 29 -4.518 17.515 8.198 202 HG3 LYS 29 HG3 LYS 29 -4.631 16.810 9.799 203 HD2 LYS 29 HD2 LYS 29 -5.294 19.126 10.006 204 HD3 LYS 29 HD3 LYS 29 -3.716 18.982 10.756 205 HE2 LYS 29 HE2 LYS 29 -3.783 19.666 7.824 206 HE3 LYS 29 HE3 LYS 29 -4.285 20.914 8.948 207 HZ1 LYS 29 HZ1 LYS 29 -1.948 21.131 8.698 208 HZ2 LYS 29 HZ2 LYS 29 -2.126 20.436 10.161 209 H CYS 30 HN CYS 30 -2.084 14.252 9.295 210 HA CYS 30 HA CYS 30 -4.296 13.195 10.779 211 HB2 CYS 30 HB2 CYS 30 -2.603 11.500 8.974 212 HB3 CYS 30 HB3 CYS 30 -4.334 11.461 9.244 213 H HIS 31 HN HIS 31 -0.794 12.788 10.453 214 HA HIS 31 HA HIS 31 -0.726 10.857 12.719 215 HB2 HIS 31 HB2 HIS 31 1.450 11.787 10.764 216 HB3 HIS 31 HB3 HIS 31 1.619 10.490 12.024 217 HD1 HIS 31 HD1 HIS 31 -0.758 8.803 11.556 218 HD2 HIS 31 HD2 HIS 31 1.423 10.455 8.396 219 HE1 HIS 31 HE1 HIS 31 -1.218 7.308 9.507 220 H GLU 32 HN GLU 32 -1.565 12.964 13.942 221 HA GLU 32 HA GLU 32 0.394 14.911 14.477 222 HB2 GLU 32 HB2 GLU 32 -2.198 15.051 14.702 223 HB3 GLU 32 HB3 GLU 32 -1.982 14.277 16.259 224 HG2 GLU 32 HG2 GLU 32 -0.066 16.457 15.976 225 HG3 GLU 32 HG3 GLU 32 -1.681 17.046 15.639 226 HE2 GLU 32 HE2 GLU 32 -0.539 17.912 17.846 227 H LYS 33 HN LYS 33 -0.080 11.656 15.516 228 HA LYS 33 HA LYS 33 1.633 12.152 17.852 229 HB2 LYS 33 HB2 LYS 33 -0.652 10.247 17.413 230 HB3 LYS 33 HB3 LYS 33 0.624 9.828 18.538 231 HG2 LYS 33 HG2 LYS 33 0.260 11.926 19.796 232 HG3 LYS 33 HG3 LYS 33 -0.934 12.455 18.627 233 HD2 LYS 33 HD2 LYS 33 -2.436 10.616 19.225 234 HD3 LYS 33 HD3 LYS 33 -1.211 9.876 20.236 235 HE2 LYS 33 HE2 LYS 33 -2.797 11.086 21.661 236 HE3 LYS 33 HE3 LYS 33 -1.239 11.885 21.736 237 HZ1 LYS 33 HZ1 LYS 33 -2.198 13.738 20.941 238 HZ2 LYS 33 HZ2 LYS 33 -2.734 12.980 19.603 239 H GLY 34 HN GLY 34 2.217 11.740 14.862 240 HA2 GLY 34 HA1 GLY 34 4.156 10.865 13.965 241 HA3 GLY 34 HA2 GLY 34 4.283 9.728 15.292 242 HA PRO 35 HA PRO 35 2.596 7.804 11.261 243 HB2 PRO 35 HB2 PRO 35 4.692 5.998 11.019 244 HB3 PRO 35 HB3 PRO 35 4.684 7.635 10.285 245 HG2 PRO 35 HG2 PRO 35 5.953 6.836 13.057 246 HG3 PRO 35 HG3 PRO 35 6.731 7.699 11.690 247 HD2 PRO 35 HD2 PRO 35 5.601 9.106 13.685 248 HD3 PRO 35 HD3 PRO 35 5.281 9.598 11.994 249 H GLY 36 HN GLY 36 3.144 4.946 11.208 250 HA2 GLY 36 HA1 GLY 36 2.715 3.012 12.319 251 HA3 GLY 36 HA2 GLY 36 2.665 3.883 13.839 252 H LYS 37 HN LYS 37 0.774 2.080 13.822 253 HA LYS 37 HA LYS 37 -1.560 2.598 12.404 254 HB2 LYS 37 HB2 LYS 37 -0.779 1.012 14.795 255 HB3 LYS 37 HB3 LYS 37 -2.483 1.390 14.640 256 HG2 LYS 37 HG2 LYS 37 -0.744 0.032 12.527 257 HG3 LYS 37 HG3 LYS 37 -1.974 -0.744 13.507 258 HD2 LYS 37 HD2 LYS 37 -3.536 1.177 12.459 259 HD3 LYS 37 HD3 LYS 37 -2.311 1.178 11.204 260 HE2 LYS 37 HE2 LYS 37 -3.995 -0.403 10.508 261 HE3 LYS 37 HE3 LYS 37 -2.610 -1.350 11.013 262 HZ1 LYS 37 HZ1 LYS 37 -5.222 -1.296 12.157 263 HZ2 LYS 37 HZ2 LYS 37 -4.027 -2.375 12.408 264 H ILE 38 HN ILE 38 -3.325 3.930 12.721 265 HA ILE 38 HA ILE 38 -2.871 6.167 14.452 266 HB ILE 38 HB ILE 38 -4.977 5.401 12.451 267 HG12 ILE 38 HG1 ILE 38 -2.754 7.434 12.589 268 HG23 ILE 38 HG2 ILE 38 -6.100 7.523 12.846 269 HD11 ILE 38 HD1 ILE 38 -5.177 7.373 10.737 270 H GLU 39 HN GLU 39 -3.801 6.610 16.420 271 HA GLU 39 HA GLU 39 -4.469 4.783 18.144 272 HB2 GLU 39 HB2 GLU 39 -4.358 7.184 18.680 273 HB3 GLU 39 HB3 GLU 39 -5.873 7.474 17.850 274 HG2 GLU 39 HG2 GLU 39 -6.933 5.766 19.484 275 HG3 GLU 39 HG3 GLU 39 -5.440 5.858 20.398 276 HE2 GLU 39 HE2 GLU 39 -6.241 6.941 22.091 277 H GLY 40 HN GLY 40 -5.587 2.939 17.412 278 HA2 GLY 40 HA1 GLY 40 -7.313 1.754 16.483 279 HA3 GLY 40 HA2 GLY 40 -8.146 2.501 17.833 280 H PHE 41 HN PHE 41 -7.478 2.700 14.326 281 HA PHE 41 HA PHE 41 -8.937 5.015 13.802 282 HB2 PHE 41 HB2 PHE 41 -7.313 3.740 12.295 283 HB3 PHE 41 HB3 PHE 41 -8.493 2.452 12.155 284 HD1 PHE 41 HD1 PHE 41 -10.915 3.349 11.369 285 HD2 PHE 41 HD2 PHE 41 -7.203 5.236 10.552 286 HE1 PHE 41 HE1 PHE 41 -11.937 4.500 9.386 287 HE2 PHE 41 HE2 PHE 41 -8.225 6.386 8.568 288 HZ PHE 41 HZ PHE 41 -10.580 6.004 8.009 289 H GLY 42 HN GLY 42 -11.102 5.446 13.566 290 HA2 GLY 42 HA1 GLY 42 -12.931 3.131 13.800 291 HA3 GLY 42 HA2 GLY 42 -13.224 4.712 14.497 292 H LYS 43 HN LYS 43 -15.152 3.602 12.828 293 HA LYS 43 HA LYS 43 -14.783 4.397 10.129 294 HB2 LYS 43 HB2 LYS 43 -17.426 3.872 11.494 295 HB3 LYS 43 HB3 LYS 43 -17.016 3.669 9.803 296 HG2 LYS 43 HG2 LYS 43 -15.639 2.090 12.020 297 HG3 LYS 43 HG3 LYS 43 -17.095 1.521 11.227 298 HD2 LYS 43 HD2 LYS 43 -15.560 0.518 9.824 299 HD3 LYS 43 HD3 LYS 43 -15.652 2.065 9.008 300 HE2 LYS 43 HE2 LYS 43 -13.324 1.757 9.258 301 HE3 LYS 43 HE3 LYS 43 -13.713 2.804 10.608 302 HZ1 LYS 43 HZ1 LYS 43 -13.772 0.868 12.057 303 HZ2 LYS 43 HZ2 LYS 43 -13.527 -0.154 10.813 304 H GLU 44 HN GLU 44 -16.547 5.779 12.974 305 HA GLU 44 HA GLU 44 -17.630 7.924 11.688 306 HB2 GLU 44 HB2 GLU 44 -18.248 7.343 13.967 307 HB3 GLU 44 HB3 GLU 44 -16.620 7.634 14.546 308 HG2 GLU 44 HG2 GLU 44 -18.257 9.522 15.014 309 HG3 GLU 44 HG3 GLU 44 -16.803 10.016 14.170 310 HE2 GLU 44 HE2 GLU 44 -19.975 8.746 12.801 311 H MET 45 HN MET 45 -14.336 7.496 13.076 312 HA MET 45 HA MET 45 -13.482 10.077 12.945 313 HB2 MET 45 HB2 MET 45 -12.387 7.557 13.476 314 HB3 MET 45 HB3 MET 45 -11.505 8.030 12.037 315 HG2 MET 45 HG2 MET 45 -10.142 9.198 13.448 316 HG3 MET 45 HG3 MET 45 -11.437 10.374 13.534 317 HE1 MET 45 HE1 MET 45 -10.960 11.286 15.747 318 HE2 MET 45 HE2 MET 45 -12.707 10.943 15.715 319 HE3 MET 45 HE3 MET 45 -11.755 10.581 17.175 320 H ALA 46 HN ALA 46 -13.578 7.577 10.345 321 HA ALA 46 HA ALA 46 -12.132 8.884 8.415 322 HB1 ALA 46 HB1 ALA 46 -14.667 7.373 7.768 323 HB2 ALA 46 HB2 ALA 46 -13.096 7.349 6.931 324 HB3 ALA 46 HB3 ALA 46 -13.282 6.532 8.502 325 H HIS 47 HN HIS 47 -15.690 8.861 8.692 326 HA HIS 47 HA HIS 47 -16.099 11.056 6.890 327 HB2 HIS 47 HB2 HIS 47 -17.983 10.065 9.094 328 HB3 HIS 47 HB3 HIS 47 -18.411 10.910 7.544 329 HD1 HIS 47 HD1 HIS 47 -18.977 7.884 8.879 330 HD2 HIS 47 HD2 HIS 47 -17.005 8.955 5.353 331 HE1 HIS 47 HE1 HIS 47 -19.087 5.820 7.339 332 H GLY 48 HN GLY 48 -14.848 10.968 10.102 333 HA2 GLY 48 HA1 GLY 48 -15.928 13.430 11.063 334 HA3 GLY 48 HA2 GLY 48 -14.563 12.538 11.702 335 H LYS 49 HN LYS 49 -12.762 13.806 11.752 336 HA LYS 49 HA LYS 49 -12.324 15.552 9.429 337 HB2 LYS 49 HB2 LYS 49 -12.811 16.608 11.726 338 HB3 LYS 49 HB3 LYS 49 -11.222 16.039 12.198 339 HG2 LYS 49 HG2 LYS 49 -10.266 17.233 10.158 340 HG3 LYS 49 HG3 LYS 49 -11.857 17.908 9.868 341 HD2 LYS 49 HD2 LYS 49 -10.793 19.604 11.122 342 HD3 LYS 49 HD3 LYS 49 -11.739 18.766 12.335 343 HE2 LYS 49 HE2 LYS 49 -9.625 17.325 12.775 344 HE3 LYS 49 HE3 LYS 49 -8.752 18.491 11.800 345 HZ1 LYS 49 HZ1 LYS 49 -10.405 19.709 13.827 346 HZ2 LYS 49 HZ2 LYS 49 -9.226 18.771 14.447 347 H GLY 50 HN GLY 50 -11.644 12.888 9.159 348 HA2 GLY 50 HA1 GLY 50 -8.734 13.094 9.040 349 HA3 GLY 50 HA2 GLY 50 -9.395 11.782 9.996 350 H CYS 51 HN CYS 51 -10.911 13.169 7.042 351 HA CYS 51 HA CYS 51 -9.870 11.378 5.215 352 HB2 CYS 51 HB2 CYS 51 -11.319 9.891 6.898 353 HB3 CYS 51 HB3 CYS 51 -12.618 10.417 5.846 354 H LYS 52 HN LYS 52 -13.284 12.329 6.066 355 HA LYS 52 HA LYS 52 -13.473 13.657 3.489 356 HB2 LYS 52 HB2 LYS 52 -15.213 12.033 4.303 357 HB3 LYS 52 HB3 LYS 52 -15.628 13.174 5.566 358 HG2 LYS 52 HG2 LYS 52 -15.507 14.314 2.802 359 HG3 LYS 52 HG3 LYS 52 -16.791 13.154 3.079 360 HD2 LYS 52 HD2 LYS 52 -16.835 14.799 5.378 361 HD3 LYS 52 HD3 LYS 52 -16.538 15.912 4.058 362 HE2 LYS 52 HE2 LYS 52 -18.942 15.720 4.296 363 HE3 LYS 52 HE3 LYS 52 -18.505 14.883 2.819 364 HZ1 LYS 52 HZ1 LYS 52 -19.988 13.753 4.707 365 HZ2 LYS 52 HZ2 LYS 52 -19.026 12.868 3.736 366 H GLY 53 HN GLY 53 -14.113 14.387 6.993 367 HA2 GLY 53 HA1 GLY 53 -14.763 16.949 7.026 368 HA3 GLY 53 HA2 GLY 53 -13.572 16.290 8.130 369 H CYS 54 HN CYS 54 -11.444 15.719 6.270 370 HA CYS 54 HA CYS 54 -10.139 18.130 6.245 371 HB2 CYS 54 HB2 CYS 54 -9.558 15.459 5.520 372 HB3 CYS 54 HB3 CYS 54 -9.157 16.430 4.118 373 H HIS 55 HN HIS 55 -10.970 16.345 3.281 374 HA HIS 55 HA HIS 55 -10.812 18.307 1.384 375 HB2 HIS 55 HB2 HIS 55 -13.144 16.332 1.423 376 HB3 HIS 55 HB3 HIS 55 -12.211 16.976 0.005 377 HD1 HIS 55 HD1 HIS 55 -12.646 14.032 1.821 378 HD2 HIS 55 HD2 HIS 55 -9.274 16.004 0.333 379 HE1 HIS 55 HE1 HIS 55 -10.786 12.255 1.663 380 H GLU 56 HN GLU 56 -13.739 17.694 3.483 381 HA GLU 56 HA GLU 56 -15.401 19.519 2.421 382 HB2 GLU 56 HB2 GLU 56 -16.319 18.237 4.145 383 HB3 GLU 56 HB3 GLU 56 -14.958 18.496 5.217 384 HG2 GLU 56 HG2 GLU 56 -16.932 19.754 6.013 385 HG3 GLU 56 HG3 GLU 56 -15.644 20.855 5.569 386 HE2 GLU 56 HE2 GLU 56 -16.115 22.299 4.164 387 H GLU 57 HN GLU 57 -12.632 20.089 4.641 388 HA GLU 57 HA GLU 57 -13.238 22.918 4.596 389 HB2 GLU 57 HB2 GLU 57 -12.224 21.211 6.571 390 HB3 GLU 57 HB3 GLU 57 -10.803 22.090 6.040 391 HG2 GLU 57 HG2 GLU 57 -12.305 24.233 6.250 392 HG3 GLU 57 HG3 GLU 57 -13.387 23.216 7.180 393 HE2 GLU 57 HE2 GLU 57 -10.202 24.866 8.541 394 H MET 58 HN MET 58 -10.642 20.561 3.718 395 HA MET 58 HA MET 58 -8.816 22.408 2.814 396 HB2 MET 58 HB2 MET 58 -8.882 19.695 3.102 397 HB3 MET 58 HB3 MET 58 -9.134 19.769 1.370 398 HG2 MET 58 HG2 MET 58 -6.919 20.146 1.046 399 HG3 MET 58 HG3 MET 58 -7.011 21.611 2.001 400 HE1 MET 58 HE1 MET 58 -6.114 20.551 5.553 401 HE2 MET 58 HE2 MET 58 -6.530 21.853 4.413 402 HE3 MET 58 HE3 MET 58 -7.776 20.693 4.933 403 H LYS 59 HN LYS 59 -11.917 21.628 1.550 404 HA LYS 59 HA LYS 59 -12.958 22.034 -0.360 405 HB2 LYS 59 HB2 LYS 59 -12.357 24.337 0.446 406 HB3 LYS 59 HB3 LYS 59 -10.982 24.315 -0.638 407 HG2 LYS 59 HG2 LYS 59 -12.417 25.177 -2.189 408 HG3 LYS 59 HG3 LYS 59 -13.011 23.536 -2.348 409 HD2 LYS 59 HD2 LYS 59 -14.194 25.039 -0.067 410 HD3 LYS 59 HD3 LYS 59 -14.563 25.718 -1.640 411 HE2 LYS 59 HE2 LYS 59 -15.257 23.358 -2.383 412 HE3 LYS 59 HE3 LYS 59 -15.102 22.862 -0.709 413 HZ1 LYS 59 HZ1 LYS 59 -16.770 25.202 -1.366 414 HZ2 LYS 59 HZ2 LYS 59 -17.385 23.706 -1.551 415 H LYS 60 HN LYS 60 -10.928 20.005 -0.466 416 HA LYS 60 HA LYS 60 -10.576 19.956 -3.311 417 HB2 LYS 60 HB2 LYS 60 -8.064 19.443 -3.013 418 HB3 LYS 60 HB3 LYS 60 -8.587 21.116 -3.027 419 HG2 LYS 60 HG2 LYS 60 -8.824 20.507 -0.337 420 HG3 LYS 60 HG3 LYS 60 -7.462 19.501 -0.790 421 HD2 LYS 60 HD2 LYS 60 -7.605 22.446 -1.560 422 HD3 LYS 60 HD3 LYS 60 -6.947 21.928 -0.021 423 HE2 LYS 60 HE2 LYS 60 -5.313 20.446 -1.255 424 HE3 LYS 60 HE3 LYS 60 -5.938 21.059 -2.773 425 HZ1 LYS 60 HZ1 LYS 60 -3.955 22.285 -2.015 426 HZ2 LYS 60 HZ2 LYS 60 -5.236 23.286 -2.121 427 H GLY 61 HN GLY 61 -10.942 17.904 -3.991 428 HA2 GLY 61 HA1 GLY 61 -10.301 15.565 -3.709 429 HA3 GLY 61 HA2 GLY 61 -10.584 15.752 -1.990 430 HA PRO 62 HA PRO 62 -14.569 14.453 -4.029 431 HB2 PRO 62 HB2 PRO 62 -14.287 11.680 -3.490 432 HB3 PRO 62 HB3 PRO 62 -13.951 12.504 -5.047 433 HG2 PRO 62 HG2 PRO 62 -12.231 11.324 -3.248 434 HG3 PRO 62 HG3 PRO 62 -11.489 12.013 -4.729 435 HD2 PRO 62 HD2 PRO 62 -11.535 13.082 -1.983 436 HD3 PRO 62 HD3 PRO 62 -10.691 13.740 -3.417 437 H THR 63 HN THR 63 -16.488 14.224 -2.779 438 HA THR 63 HA THR 63 -16.017 13.549 0.052 439 HB THR 63 HB THR 63 -17.827 15.246 0.509 440 HG1 THR 63 HG1 THR 63 -18.816 15.093 -1.624 441 HG21 THR 63 HG2 THR 63 -16.413 17.086 0.397 442 H LYS 64 HN LYS 64 -17.899 13.072 -2.888 443 HA LYS 64 HA LYS 64 -20.142 11.886 -1.739 444 HB2 LYS 64 HB2 LYS 64 -18.819 11.638 -4.445 445 HB3 LYS 64 HB3 LYS 64 -20.282 10.762 -4.044 446 HG2 LYS 64 HG2 LYS 64 -21.556 12.618 -4.336 447 HG3 LYS 64 HG3 LYS 64 -20.576 13.531 -3.206 448 HD2 LYS 64 HD2 LYS 64 -19.432 14.588 -4.874 449 HD3 LYS 64 HD3 LYS 64 -19.178 13.100 -5.764 450 HE2 LYS 64 HE2 LYS 64 -20.931 13.513 -7.163 451 HE3 LYS 64 HE3 LYS 64 -22.003 13.911 -5.835 452 HZ1 LYS 64 HZ1 LYS 64 -21.679 15.877 -7.145 453 HZ2 LYS 64 HZ2 LYS 64 -20.866 16.129 -5.757 454 H CYS 65 HN CYS 65 -20.726 9.541 -1.759 455 HA CYS 65 HA CYS 65 -18.721 8.094 -0.394 456 HB2 CYS 65 HB2 CYS 65 -21.068 6.619 -1.413 457 HB3 CYS 65 HB3 CYS 65 -20.364 6.663 0.191 458 H GLY 66 HN GLY 66 -20.564 7.434 -3.473 459 HA2 GLY 66 HA1 GLY 66 -19.249 5.310 -4.462 460 HA3 GLY 66 HA2 GLY 66 -19.833 6.626 -5.459 461 H GLU 67 HN GLU 67 -17.934 8.577 -4.020 462 HA GLU 67 HA GLU 67 -15.799 8.187 -5.834 463 HB2 GLU 67 HB2 GLU 67 -16.265 10.232 -3.622 464 HB3 GLU 67 HB3 GLU 67 -14.895 10.288 -4.715 465 HG2 GLU 67 HG2 GLU 67 -17.733 10.135 -5.793 466 HG3 GLU 67 HG3 GLU 67 -17.041 11.672 -5.317 467 HE2 GLU 67 HE2 GLU 67 -14.732 9.448 -7.226 468 H CYS 68 HN CYS 68 -16.245 7.966 -2.257 469 HA CYS 68 HA CYS 68 -13.493 7.197 -1.922 470 HB2 CYS 68 HB2 CYS 68 -15.734 7.977 -0.153 471 HB3 CYS 68 HB3 CYS 68 -14.669 6.754 0.509 472 H HIS 69 HN HIS 69 -16.759 5.849 -1.431 473 HA HIS 69 HA HIS 69 -15.701 3.104 -1.150 474 HB2 HIS 69 HB2 HIS 69 -18.525 4.297 -1.028 475 HB3 HIS 69 HB3 HIS 69 -18.117 2.549 -0.750 476 HD1 HIS 69 HD1 HIS 69 -16.450 2.166 1.315 477 HD2 HIS 69 HD2 HIS 69 -18.500 5.808 1.246 478 HE1 HIS 69 HE1 HIS 69 -16.359 3.088 3.720 479 H LYS 70 HN LYS 70 -15.747 1.519 -2.706 480 HA LYS 70 HA LYS 70 -17.070 2.225 -5.232 481 HB2 LYS 70 HB2 LYS 70 -14.253 1.403 -4.703 482 HB3 LYS 70 HB3 LYS 70 -15.028 0.722 -6.119 483 HG2 LYS 70 HG2 LYS 70 -15.713 3.516 -6.038 484 HG3 LYS 70 HG3 LYS 70 -13.989 3.398 -5.746 485 HD2 LYS 70 HD2 LYS 70 -14.631 1.546 -7.857 486 HD3 LYS 70 HD3 LYS 70 -15.417 3.065 -8.238 487 HE2 LYS 70 HE2 LYS 70 -13.394 4.243 -8.395 488 HE3 LYS 70 HE3 LYS 70 -12.561 3.179 -7.280 489 HZ1 LYS 70 HZ1 LYS 70 -11.782 2.101 -9.072 490 HZ2 LYS 70 HZ2 LYS 70 -13.287 1.609 -9.455 491 H LYS 71 HN LYS 71 -18.722 0.859 -5.605 492 HA LYS 71 HA LYS 71 -18.723 -1.694 -4.243 493 HB2 LYS 71 HB2 LYS 71 -21.053 -1.821 -5.174 494 HB3 LYS 71 HB3 LYS 71 -20.755 -0.478 -4.090 495 HG2 LYS 71 HG2 LYS 71 -20.826 1.118 -5.805 496 HG3 LYS 71 HG3 LYS 71 -20.301 -0.016 -7.033 497 HD2 LYS 71 HD2 LYS 71 -22.891 -0.765 -5.807 498 HD3 LYS 71 HD3 LYS 71 -22.935 0.802 -6.593 499 HE2 LYS 71 HE2 LYS 71 -23.096 -0.237 -8.602 500 HE3 LYS 71 HE3 LYS 71 -21.495 -0.908 -8.367 501 HZ1 LYS 71 HZ1 LYS 71 -24.069 -2.153 -7.594 502 HZ2 LYS 71 HZ2 LYS 71 -22.957 -2.740 -8.629 Start of MODEL 3 1 H1 ALA 1 HN ALA 1 1.161 1.708 1.281 2 HA ALA 1 HA ALA 1 3.609 0.856 -0.046 3 HB1 ALA 1 HB1 ALA 1 3.025 -1.319 -0.266 4 HB2 ALA 1 HB2 ALA 1 1.925 -1.016 1.099 5 HB3 ALA 1 HB3 ALA 1 1.317 -0.923 -0.571 6 H ASP 2 HN ASP 2 2.598 3.288 -0.509 7 HA ASP 2 HA ASP 2 1.959 4.578 -2.137 8 HB2 ASP 2 HB2 ASP 2 2.673 3.574 -4.057 9 HB3 ASP 2 HB3 ASP 2 2.198 1.984 -3.495 10 HD2 ASP 2 HD2 ASP 2 -0.472 4.128 -5.592 11 H ASP 3 HN ASP 3 -0.141 1.609 -2.513 12 HA ASP 3 HA ASP 3 -2.439 3.365 -2.253 13 HB2 ASP 3 HB2 ASP 3 -2.133 1.791 -4.271 14 HB3 ASP 3 HB3 ASP 3 -2.379 0.454 -3.163 15 HD2 ASP 3 HD2 ASP 3 -5.673 0.570 -3.883 16 H ILE 4 HN ILE 4 -3.878 3.060 -0.493 17 HA ILE 4 HA ILE 4 -3.313 0.752 1.234 18 HB ILE 4 HB ILE 4 -3.927 3.595 2.041 19 HG12 ILE 4 HG1 ILE 4 -1.435 1.914 2.050 20 HG23 ILE 4 HG2 ILE 4 -4.248 2.952 4.203 21 HD11 ILE 4 HD1 ILE 4 -1.244 2.525 4.279 22 H VAL 5 HN VAL 5 -4.990 -0.635 1.114 23 HA VAL 5 HA VAL 5 -7.610 0.449 0.459 24 HB VAL 5 HB VAL 5 -6.580 -2.388 0.662 25 HG13 VAL 5 HG1 VAL 5 -8.872 -2.261 -0.977 26 HG21 VAL 5 HG2 VAL 5 -7.209 -0.785 -1.835 27 H LEU 6 HN LEU 6 -9.208 0.720 1.943 28 HA LEU 6 HA LEU 6 -8.628 -0.262 4.640 29 HB2 LEU 6 HB2 LEU 6 -10.540 1.895 3.732 30 HB3 LEU 6 HB3 LEU 6 -10.189 1.448 5.390 31 HG LEU 6 HG LEU 6 -7.955 2.357 3.596 32 HD13 LEU 6 HD1 LEU 6 -8.904 4.339 3.260 33 HD21 LEU 6 HD2 LEU 6 -6.750 2.570 5.488 34 H LYS 7 HN LYS 7 -9.275 -2.462 4.165 35 HA LYS 7 HA LYS 7 -11.448 -3.391 2.959 36 HB2 LYS 7 HB2 LYS 7 -10.210 -4.252 5.579 37 HB3 LYS 7 HB3 LYS 7 -11.502 -5.158 4.819 38 HG2 LYS 7 HG2 LYS 7 -9.537 -4.532 2.792 39 HG3 LYS 7 HG3 LYS 7 -8.693 -5.188 4.181 40 HD2 LYS 7 HD2 LYS 7 -11.208 -6.587 3.278 41 HD3 LYS 7 HD3 LYS 7 -9.769 -6.780 2.295 42 HE2 LYS 7 HE2 LYS 7 -9.618 -8.577 3.834 43 HE3 LYS 7 HE3 LYS 7 -8.540 -7.375 4.516 44 HZ1 LYS 7 HZ1 LYS 7 -9.884 -8.001 6.307 45 HZ2 LYS 7 HZ2 LYS 7 -10.628 -6.636 5.821 46 H ALA 8 HN ALA 8 -13.596 -3.014 2.976 47 HA ALA 8 HA ALA 8 -14.726 -1.967 5.482 48 HB1 ALA 8 HB1 ALA 8 -15.380 -0.140 4.355 49 HB2 ALA 8 HB2 ALA 8 -14.562 -0.749 2.897 50 HB3 ALA 8 HB3 ALA 8 -16.267 -1.160 3.198 51 H LYS 9 HN LYS 9 -17.262 -2.280 5.410 52 HA LYS 9 HA LYS 9 -17.647 -5.090 4.746 53 HB2 LYS 9 HB2 LYS 9 -18.080 -4.039 7.065 54 HB3 LYS 9 HB3 LYS 9 -19.519 -3.344 6.346 55 HG2 LYS 9 HG2 LYS 9 -20.608 -5.312 6.602 56 HG3 LYS 9 HG3 LYS 9 -19.451 -6.100 5.547 57 HD2 LYS 9 HD2 LYS 9 -18.890 -5.607 8.505 58 HD3 LYS 9 HD3 LYS 9 -19.678 -7.064 7.930 59 HE2 LYS 9 HE2 LYS 9 -17.713 -7.561 6.469 60 HE3 LYS 9 HE3 LYS 9 -16.928 -6.091 7.012 61 HZ1 LYS 9 HZ1 LYS 9 -17.806 -7.915 9.112 62 HZ2 LYS 9 HZ2 LYS 9 -16.549 -8.426 8.211 63 H ASN 10 HN ASN 10 -18.459 -1.853 3.694 64 HA ASN 10 HA ASN 10 -20.319 -3.070 1.810 65 HB2 ASN 10 HB2 ASN 10 -21.616 -1.692 3.395 66 HB3 ASN 10 HB3 ASN 10 -20.515 -0.344 3.193 67 HD21 ASN 10 HD2 ASN 10 -23.418 -1.240 0.407 68 H GLY 11 HN GLY 11 -17.893 -3.111 0.841 69 HA2 GLY 11 HA1 GLY 11 -16.946 -2.348 -1.142 70 HA3 GLY 11 HA2 GLY 11 -17.683 -0.775 -0.911 71 H ASP 12 HN ASP 12 -14.750 -2.090 -1.145 72 HA ASP 12 HA ASP 12 -13.551 -1.125 1.239 73 HB2 ASP 12 HB2 ASP 12 -12.242 -1.879 -1.415 74 HB3 ASP 12 HB3 ASP 12 -11.431 -1.748 0.133 75 HD2 ASP 12 HD2 ASP 12 -10.965 -3.607 0.796 76 H VAL 13 HN VAL 13 -11.751 0.593 1.129 77 HA VAL 13 HA VAL 13 -12.463 2.640 -0.856 78 HB VAL 13 HB VAL 13 -11.633 2.794 2.033 79 HG13 VAL 13 HG1 VAL 13 -10.927 4.638 -0.106 80 HG21 VAL 13 HG2 VAL 13 -13.948 2.711 1.950 81 H LYS 14 HN LYS 14 -10.922 3.127 -2.332 82 HA LYS 14 HA LYS 14 -8.272 2.021 -1.886 83 HB2 LYS 14 HB2 LYS 14 -9.191 1.441 -3.988 84 HB3 LYS 14 HB3 LYS 14 -9.741 3.074 -4.304 85 HG2 LYS 14 HG2 LYS 14 -7.280 3.804 -4.263 86 HG3 LYS 14 HG3 LYS 14 -6.850 2.106 -4.206 87 HD2 LYS 14 HD2 LYS 14 -7.279 1.809 -6.427 88 HD3 LYS 14 HD3 LYS 14 -8.815 2.646 -6.329 89 HE2 LYS 14 HE2 LYS 14 -7.925 4.596 -7.113 90 HE3 LYS 14 HE3 LYS 14 -6.557 4.508 -6.022 91 HZ1 LYS 14 HZ1 LYS 14 -6.803 3.104 -8.625 92 HZ2 LYS 14 HZ2 LYS 14 -5.755 4.297 -8.263 93 H PHE 15 HN PHE 15 -7.448 3.429 -0.272 94 HA PHE 15 HA PHE 15 -7.366 6.252 -0.963 95 HB2 PHE 15 HB2 PHE 15 -7.961 5.223 1.356 96 HB3 PHE 15 HB3 PHE 15 -6.292 4.697 1.463 97 HD1 PHE 15 HD2 PHE 15 -7.507 7.931 0.106 98 HD2 PHE 15 HD1 PHE 15 -5.538 5.948 3.300 99 HE1 PHE 15 HE2 PHE 15 -6.872 10.149 1.091 100 HE2 PHE 15 HE1 PHE 15 -4.902 8.168 4.285 101 HZ PHE 15 HZ PHE 15 -5.578 10.242 3.170 102 HA PRO 16 HA PRO 16 -3.254 5.492 -2.542 103 HB2 PRO 16 HB2 PRO 16 -3.085 7.836 -3.946 104 HB3 PRO 16 HB3 PRO 16 -4.103 6.462 -4.487 105 HG2 PRO 16 HG2 PRO 16 -5.248 9.109 -3.166 106 HG3 PRO 16 HG3 PRO 16 -5.416 7.864 -4.446 107 HD2 PRO 16 HD2 PRO 16 -6.451 7.873 -1.683 108 HD3 PRO 16 HD3 PRO 16 -6.750 6.675 -2.978 109 H HIS 17 HN HIS 17 -2.089 5.602 -0.624 110 HA HIS 17 HA HIS 17 -1.857 7.956 1.004 111 HB2 HIS 17 HB2 HIS 17 -1.488 5.553 1.679 112 HB3 HIS 17 HB3 HIS 17 0.076 5.589 0.758 113 HD1 HIS 17 HD1 HIS 17 2.028 6.622 1.862 114 HD2 HIS 17 HD2 HIS 17 -1.472 7.115 4.095 115 HE1 HIS 17 HE1 HIS 17 2.764 7.510 4.167 116 H LYS 18 HN LYS 18 0.452 6.489 -1.436 117 HA LYS 18 HA LYS 18 2.456 8.263 -1.330 118 HB2 LYS 18 HB2 LYS 18 2.818 6.581 -2.840 119 HB3 LYS 18 HB3 LYS 18 1.209 6.680 -3.528 120 HG2 LYS 18 HG2 LYS 18 1.800 8.810 -4.667 121 HG3 LYS 18 HG3 LYS 18 3.392 8.779 -3.935 122 HD2 LYS 18 HD2 LYS 18 2.710 6.268 -5.360 123 HD3 LYS 18 HD3 LYS 18 2.729 7.674 -6.406 124 HE2 LYS 18 HE2 LYS 18 5.010 7.145 -4.463 125 HE3 LYS 18 HE3 LYS 18 4.971 6.373 -6.037 126 HZ1 LYS 18 HZ1 LYS 18 4.714 9.312 -5.740 127 HZ2 LYS 18 HZ2 LYS 18 6.161 8.587 -5.924 128 H ALA 19 HN ALA 19 -0.827 8.822 -2.610 129 HA ALA 19 HA ALA 19 -0.156 11.328 -3.792 130 HB1 ALA 19 HB1 ALA 19 -2.907 10.356 -2.958 131 HB2 ALA 19 HB2 ALA 19 -2.477 11.451 -4.295 132 HB3 ALA 19 HB3 ALA 19 -2.070 9.720 -4.395 133 H HIS 20 HN HIS 20 -1.747 10.223 -0.815 134 HA HIS 20 HA HIS 20 -1.955 12.952 0.255 135 HB2 HIS 20 HB2 HIS 20 -2.729 10.152 1.181 136 HB3 HIS 20 HB3 HIS 20 -2.775 11.568 2.318 137 HD1 HIS 20 HD1 HIS 20 -4.082 10.873 -1.185 138 HD2 HIS 20 HD2 HIS 20 -5.289 12.568 2.439 139 HE1 HIS 20 HE1 HIS 20 -6.515 11.649 -1.530 140 H GLN 21 HN GLN 21 0.745 11.557 -0.409 141 HA GLN 21 HA GLN 21 1.866 11.837 2.270 142 HB2 GLN 21 HB2 GLN 21 2.081 9.600 0.914 143 HB3 GLN 21 HB3 GLN 21 3.277 10.459 -0.035 144 HG2 GLN 21 HG2 GLN 21 4.701 10.811 1.872 145 HG3 GLN 21 HG3 GLN 21 3.428 10.405 3.004 146 HE21 GLN 21 HE2 GLN 21 4.670 7.223 0.674 147 H LYS 22 HN LYS 22 1.308 13.570 -0.472 148 HA LYS 22 HA LYS 22 3.505 15.335 0.082 149 HB2 LYS 22 HB2 LYS 22 4.379 13.580 -1.567 150 HB3 LYS 22 HB3 LYS 22 3.278 14.274 -2.740 151 HG2 LYS 22 HG2 LYS 22 4.394 16.577 -1.951 152 HG3 LYS 22 HG3 LYS 22 5.700 15.527 -1.440 153 HD2 LYS 22 HD2 LYS 22 6.416 15.807 -3.606 154 HD3 LYS 22 HD3 LYS 22 5.289 14.505 -3.931 155 HE2 LYS 22 HE2 LYS 22 3.945 15.865 -5.163 156 HE3 LYS 22 HE3 LYS 22 3.871 17.060 -3.884 157 HZ1 LYS 22 HZ1 LYS 22 6.405 17.323 -4.893 158 HZ2 LYS 22 HZ2 LYS 22 5.511 17.069 -6.230 159 H ALA 23 HN ALA 23 0.471 15.097 0.173 160 HA ALA 23 HA ALA 23 -0.058 17.454 -1.503 161 HB1 ALA 23 HB1 ALA 23 -1.128 15.285 -2.294 162 HB2 ALA 23 HB2 ALA 23 -2.064 15.288 -0.779 163 HB3 ALA 23 HB3 ALA 23 -2.262 16.614 -1.951 164 H VAL 24 HN VAL 24 0.768 16.702 1.478 165 HA VAL 24 HA VAL 24 -1.401 18.245 2.723 166 HB VAL 24 HB VAL 24 0.567 16.430 4.111 167 HG13 VAL 24 HG1 VAL 24 -2.160 17.467 4.959 168 HG21 VAL 24 HG2 VAL 24 -2.244 15.682 3.247 169 HA PRO 25 HA PRO 25 0.898 21.901 3.189 170 HB2 PRO 25 HB2 PRO 25 0.374 21.331 6.142 171 HB3 PRO 25 HB3 PRO 25 0.265 22.864 5.219 172 HG2 PRO 25 HG2 PRO 25 -1.832 21.241 5.717 173 HG3 PRO 25 HG3 PRO 25 -1.979 22.271 4.255 174 HD2 PRO 25 HD2 PRO 25 -1.761 19.364 4.433 175 HD3 PRO 25 HD3 PRO 25 -1.854 20.366 2.953 176 H ASP 26 HN ASP 26 1.588 19.843 6.136 177 HA ASP 26 HA ASP 26 4.243 19.440 5.130 178 HB2 ASP 26 HB2 ASP 26 3.991 21.687 6.552 179 HB3 ASP 26 HB3 ASP 26 3.990 20.591 7.919 180 HD2 ASP 26 HD2 ASP 26 5.947 21.009 8.728 181 H CYS 27 HN CYS 27 2.123 17.603 5.546 182 HA CYS 27 HA CYS 27 1.436 15.841 6.687 183 HB2 CYS 27 HB2 CYS 27 3.914 15.392 5.939 184 HB3 CYS 27 HB3 CYS 27 4.236 15.399 7.661 185 H LYS 28 HN LYS 28 2.240 14.598 9.108 186 HA LYS 28 HA LYS 28 2.093 14.736 11.309 187 HB2 LYS 28 HB2 LYS 28 3.994 16.227 11.263 188 HB3 LYS 28 HB3 LYS 28 2.980 17.602 10.877 189 HG2 LYS 28 HG2 LYS 28 2.392 17.912 13.057 190 HG3 LYS 28 HG3 LYS 28 2.008 16.217 13.278 191 HD2 LYS 28 HD2 LYS 28 4.602 15.840 13.327 192 HD3 LYS 28 HD3 LYS 28 4.716 17.574 13.555 193 HE2 LYS 28 HE2 LYS 28 4.030 17.447 15.731 194 HE3 LYS 28 HE3 LYS 28 2.705 16.367 15.342 195 HZ1 LYS 28 HZ1 LYS 28 5.241 15.061 15.088 196 HZ2 LYS 28 HZ2 LYS 28 5.026 15.640 16.595 197 H LYS 29 HN LYS 29 -0.006 15.885 9.143 198 HA LYS 29 HA LYS 29 -1.727 17.386 10.888 199 HB2 LYS 29 HB2 LYS 29 -1.512 17.854 8.455 200 HB3 LYS 29 HB3 LYS 29 -2.219 16.290 8.103 201 HG2 LYS 29 HG2 LYS 29 -4.331 16.896 9.079 202 HG3 LYS 29 HG3 LYS 29 -3.648 18.287 9.900 203 HD2 LYS 29 HD2 LYS 29 -3.479 18.175 6.884 204 HD3 LYS 29 HD3 LYS 29 -5.024 18.560 7.616 205 HE2 LYS 29 HE2 LYS 29 -2.800 20.059 8.854 206 HE3 LYS 29 HE3 LYS 29 -2.930 20.366 7.133 207 HZ1 LYS 29 HZ1 LYS 29 -5.507 20.381 8.348 208 HZ2 LYS 29 HZ2 LYS 29 -4.532 21.448 9.098 209 H CYS 30 HN CYS 30 -1.436 14.048 9.602 210 HA CYS 30 HA CYS 30 -3.796 13.336 11.164 211 HB2 CYS 30 HB2 CYS 30 -2.443 11.374 9.352 212 HB3 CYS 30 HB3 CYS 30 -4.140 11.543 9.755 213 H HIS 31 HN HIS 31 -0.436 12.420 10.424 214 HA HIS 31 HA HIS 31 -0.241 10.582 12.702 215 HB2 HIS 31 HB2 HIS 31 1.886 11.649 10.764 216 HB3 HIS 31 HB3 HIS 31 2.071 10.261 11.919 217 HD1 HIS 31 HD1 HIS 31 -0.445 8.721 11.330 218 HD2 HIS 31 HD2 HIS 31 1.945 10.396 8.338 219 HE1 HIS 31 HE1 HIS 31 -0.913 7.361 9.191 220 H GLU 32 HN GLU 32 -1.107 12.944 13.770 221 HA GLU 32 HA GLU 32 0.588 14.893 14.414 222 HB2 GLU 32 HB2 GLU 32 -1.824 14.581 15.165 223 HB3 GLU 32 HB3 GLU 32 -1.237 13.536 16.443 224 HG2 GLU 32 HG2 GLU 32 -0.653 15.316 17.722 225 HG3 GLU 32 HG3 GLU 32 0.320 15.992 16.431 226 HE2 GLU 32 HE2 GLU 32 -2.526 17.628 15.030 227 H LYS 33 HN LYS 33 0.305 11.730 16.181 228 HA LYS 33 HA LYS 33 2.520 12.340 17.860 229 HB2 LYS 33 HB2 LYS 33 0.637 10.068 17.458 230 HB3 LYS 33 HB3 LYS 33 2.194 9.683 18.165 231 HG2 LYS 33 HG2 LYS 33 0.530 12.008 19.207 232 HG3 LYS 33 HG3 LYS 33 0.249 10.372 19.768 233 HD2 LYS 33 HD2 LYS 33 3.061 10.706 19.909 234 HD3 LYS 33 HD3 LYS 33 2.404 12.227 20.479 235 HE2 LYS 33 HE2 LYS 33 0.810 10.766 21.957 236 HE3 LYS 33 HE3 LYS 33 1.893 9.438 21.586 237 HZ1 LYS 33 HZ1 LYS 33 3.398 11.708 22.380 238 HZ2 LYS 33 HZ2 LYS 33 2.279 11.388 23.518 239 H GLY 34 HN GLY 34 2.122 9.596 15.516 240 HA2 GLY 34 HA1 GLY 34 4.599 10.270 14.193 241 HA3 GLY 34 HA2 GLY 34 4.710 8.869 15.240 242 HA PRO 35 HA PRO 35 2.986 7.382 11.231 243 HB2 PRO 35 HB2 PRO 35 5.375 5.799 10.806 244 HB3 PRO 35 HB3 PRO 35 4.853 7.285 9.948 245 HG2 PRO 35 HG2 PRO 35 7.324 7.547 11.773 246 HG3 PRO 35 HG3 PRO 35 5.991 8.490 11.029 247 HD2 PRO 35 HD2 PRO 35 5.932 6.989 13.727 248 HD3 PRO 35 HD3 PRO 35 5.963 8.765 13.515 249 H GLY 36 HN GLY 36 2.776 4.904 10.560 250 HA2 GLY 36 HA1 GLY 36 2.909 2.653 11.334 251 HA3 GLY 36 HA2 GLY 36 2.884 3.229 12.988 252 H LYS 37 HN LYS 37 1.060 1.659 13.248 253 HA LYS 37 HA LYS 37 -1.350 2.064 11.835 254 HB2 LYS 37 HB2 LYS 37 -0.464 0.464 14.205 255 HB3 LYS 37 HB3 LYS 37 -2.182 0.699 13.959 256 HG2 LYS 37 HG2 LYS 37 -0.232 -0.431 11.896 257 HG3 LYS 37 HG3 LYS 37 -1.380 -1.368 12.831 258 HD2 LYS 37 HD2 LYS 37 -2.897 0.725 11.625 259 HD3 LYS 37 HD3 LYS 37 -1.818 0.144 10.373 260 HE2 LYS 37 HE2 LYS 37 -3.213 -1.937 12.041 261 HE3 LYS 37 HE3 LYS 37 -4.200 -1.038 10.906 262 HZ1 LYS 37 HZ1 LYS 37 -3.347 -2.884 9.718 263 HZ2 LYS 37 HZ2 LYS 37 -2.438 -1.639 9.195 264 H ILE 38 HN ILE 38 -2.930 3.555 12.100 265 HA ILE 38 HA ILE 38 -2.592 5.437 14.281 266 HB ILE 38 HB ILE 38 -4.241 5.398 11.763 267 HG12 ILE 38 HG1 ILE 38 -2.814 7.652 11.634 268 HG23 ILE 38 HG2 ILE 38 -5.122 7.577 12.345 269 HD11 ILE 38 HD1 ILE 38 -2.458 6.248 9.827 270 H GLU 39 HN GLU 39 -3.632 5.202 16.178 271 HA GLU 39 HA GLU 39 -5.819 3.324 16.244 272 HB2 GLU 39 HB2 GLU 39 -5.532 3.358 18.663 273 HB3 GLU 39 HB3 GLU 39 -3.959 3.177 17.912 274 HG2 GLU 39 HG2 GLU 39 -4.486 6.002 18.158 275 HG3 GLU 39 HG3 GLU 39 -4.862 5.259 19.699 276 HE2 GLU 39 HE2 GLU 39 -2.366 6.333 17.810 277 H GLY 40 HN GLY 40 -7.852 3.874 17.446 278 HA2 GLY 40 HA1 GLY 40 -9.348 5.446 18.317 279 HA3 GLY 40 HA2 GLY 40 -8.425 6.749 17.594 280 H PHE 41 HN PHE 41 -8.105 5.845 14.931 281 HA PHE 41 HA PHE 41 -10.155 6.796 13.591 282 HB2 PHE 41 HB2 PHE 41 -7.959 5.693 12.777 283 HB3 PHE 41 HB3 PHE 41 -8.752 4.138 12.932 284 HD1 PHE 41 HD1 PHE 41 -11.148 4.078 11.672 285 HD2 PHE 41 HD2 PHE 41 -7.887 6.601 10.666 286 HE1 PHE 41 HE1 PHE 41 -12.039 4.299 9.337 287 HE2 PHE 41 HE2 PHE 41 -8.779 6.821 8.330 288 HZ PHE 41 HZ PHE 41 -10.844 5.668 7.693 289 H GLY 42 HN GLY 42 -12.162 6.145 12.689 290 HA2 GLY 42 HA1 GLY 42 -13.190 3.500 13.287 291 HA3 GLY 42 HA2 GLY 42 -13.952 4.809 14.170 292 H LYS 43 HN LYS 43 -15.566 3.380 12.485 293 HA LYS 43 HA LYS 43 -15.620 4.298 9.839 294 HB2 LYS 43 HB2 LYS 43 -17.575 2.920 11.663 295 HB3 LYS 43 HB3 LYS 43 -18.102 3.502 10.098 296 HG2 LYS 43 HG2 LYS 43 -17.388 1.235 9.745 297 HG3 LYS 43 HG3 LYS 43 -16.127 2.242 9.064 298 HD2 LYS 43 HD2 LYS 43 -15.763 1.593 11.951 299 HD3 LYS 43 HD3 LYS 43 -15.698 0.205 10.883 300 HE2 LYS 43 HE2 LYS 43 -14.073 1.689 9.428 301 HE3 LYS 43 HE3 LYS 43 -13.923 2.669 10.873 302 HZ1 LYS 43 HZ1 LYS 43 -12.502 0.404 10.379 303 HZ2 LYS 43 HZ2 LYS 43 -12.664 1.084 11.851 304 H GLU 44 HN GLU 44 -16.749 5.649 12.914 305 HA GLU 44 HA GLU 44 -18.420 7.556 11.615 306 HB2 GLU 44 HB2 GLU 44 -19.128 8.132 13.743 307 HB3 GLU 44 HB3 GLU 44 -18.544 6.510 14.061 308 HG2 GLU 44 HG2 GLU 44 -16.894 9.053 14.443 309 HG3 GLU 44 HG3 GLU 44 -17.718 8.200 15.733 310 HE2 GLU 44 HE2 GLU 44 -15.019 8.215 16.087 311 H MET 45 HN MET 45 -15.071 7.320 12.774 312 HA MET 45 HA MET 45 -14.606 10.093 12.800 313 HB2 MET 45 HB2 MET 45 -13.270 7.777 13.619 314 HB3 MET 45 HB3 MET 45 -12.305 8.268 12.240 315 HG2 MET 45 HG2 MET 45 -11.245 9.602 13.787 316 HG3 MET 45 HG3 MET 45 -12.577 10.695 13.470 317 HE1 MET 45 HE1 MET 45 -11.070 11.128 15.587 318 HE2 MET 45 HE2 MET 45 -12.420 11.627 16.634 319 HE3 MET 45 HE3 MET 45 -11.303 10.349 17.170 320 H ALA 46 HN ALA 46 -14.241 7.481 10.358 321 HA ALA 46 HA ALA 46 -12.690 8.720 8.495 322 HB1 ALA 46 HB1 ALA 46 -13.601 6.381 8.445 323 HB2 ALA 46 HB2 ALA 46 -15.174 7.047 7.950 324 HB3 ALA 46 HB3 ALA 46 -13.756 7.236 6.892 325 H HIS 47 HN HIS 47 -16.260 8.725 8.524 326 HA HIS 47 HA HIS 47 -16.506 10.842 6.588 327 HB2 HIS 47 HB2 HIS 47 -18.595 9.949 8.640 328 HB3 HIS 47 HB3 HIS 47 -18.858 10.688 7.002 329 HD1 HIS 47 HD1 HIS 47 -19.406 7.701 8.552 330 HD2 HIS 47 HD2 HIS 47 -17.390 8.657 5.019 331 HE1 HIS 47 HE1 HIS 47 -19.393 5.552 7.128 332 H GLY 48 HN GLY 48 -15.494 10.883 9.865 333 HA2 GLY 48 HA1 GLY 48 -16.675 13.378 10.639 334 HA3 GLY 48 HA2 GLY 48 -15.397 12.498 11.452 335 H LYS 49 HN LYS 49 -13.542 13.670 11.603 336 HA LYS 49 HA LYS 49 -12.876 15.378 9.306 337 HB2 LYS 49 HB2 LYS 49 -11.855 16.932 10.821 338 HB3 LYS 49 HB3 LYS 49 -13.491 16.624 11.365 339 HG2 LYS 49 HG2 LYS 49 -11.125 15.057 12.470 340 HG3 LYS 49 HG3 LYS 49 -11.604 16.598 13.155 341 HD2 LYS 49 HD2 LYS 49 -14.026 15.159 12.937 342 HD3 LYS 49 HD3 LYS 49 -12.861 13.958 13.458 343 HE2 LYS 49 HE2 LYS 49 -13.073 14.768 15.567 344 HE3 LYS 49 HE3 LYS 49 -12.258 16.225 15.033 345 HZ1 LYS 49 HZ1 LYS 49 -14.361 17.232 14.537 346 HZ2 LYS 49 HZ2 LYS 49 -15.187 15.844 14.740 347 H GLY 50 HN GLY 50 -12.272 12.652 9.198 348 HA2 GLY 50 HA1 GLY 50 -9.348 12.782 9.305 349 HA3 GLY 50 HA2 GLY 50 -10.144 11.489 10.181 350 H CYS 51 HN CYS 51 -11.378 12.924 7.129 351 HA CYS 51 HA CYS 51 -10.209 11.171 5.356 352 HB2 CYS 51 HB2 CYS 51 -11.756 9.640 6.922 353 HB3 CYS 51 HB3 CYS 51 -12.972 10.150 5.768 354 H LYS 52 HN LYS 52 -13.651 12.148 6.068 355 HA LYS 52 HA LYS 52 -13.748 13.433 3.464 356 HB2 LYS 52 HB2 LYS 52 -15.561 11.916 4.084 357 HB3 LYS 52 HB3 LYS 52 -15.899 12.857 5.523 358 HG2 LYS 52 HG2 LYS 52 -15.865 14.359 2.922 359 HG3 LYS 52 HG3 LYS 52 -17.197 13.245 3.162 360 HD2 LYS 52 HD2 LYS 52 -16.701 14.836 5.582 361 HD3 LYS 52 HD3 LYS 52 -16.980 15.869 4.194 362 HE2 LYS 52 HE2 LYS 52 -19.199 15.519 4.599 363 HE3 LYS 52 HE3 LYS 52 -18.955 13.956 3.843 364 HZ1 LYS 52 HZ1 LYS 52 -18.721 12.931 5.945 365 HZ2 LYS 52 HZ2 LYS 52 -18.475 14.331 6.740 366 H GLY 53 HN GLY 53 -14.584 14.265 6.906 367 HA2 GLY 53 HA1 GLY 53 -15.141 16.829 6.879 368 HA3 GLY 53 HA2 GLY 53 -13.996 16.175 8.033 369 H CYS 54 HN CYS 54 -11.680 15.699 6.732 370 HA CYS 54 HA CYS 54 -10.408 18.026 6.547 371 HB2 CYS 54 HB2 CYS 54 -9.780 15.363 5.971 372 HB3 CYS 54 HB3 CYS 54 -9.385 16.219 4.494 373 H HIS 55 HN HIS 55 -11.507 16.183 3.687 374 HA HIS 55 HA HIS 55 -11.104 18.092 1.697 375 HB2 HIS 55 HB2 HIS 55 -13.463 16.140 1.843 376 HB3 HIS 55 HB3 HIS 55 -12.669 16.825 0.361 377 HD1 HIS 55 HD1 HIS 55 -13.007 13.780 1.730 378 HD2 HIS 55 HD2 HIS 55 -9.564 15.988 0.868 379 HE1 HIS 55 HE1 HIS 55 -11.094 12.068 1.500 380 H GLU 56 HN GLU 56 -13.975 17.736 3.902 381 HA GLU 56 HA GLU 56 -15.448 19.746 2.671 382 HB2 GLU 56 HB2 GLU 56 -16.538 18.163 4.140 383 HB3 GLU 56 HB3 GLU 56 -15.498 18.586 5.484 384 HG2 GLU 56 HG2 GLU 56 -16.453 20.966 5.343 385 HG3 GLU 56 HG3 GLU 56 -17.616 20.356 4.183 386 HE2 GLU 56 HE2 GLU 56 -19.401 19.224 5.127 387 H GLU 57 HN GLU 57 -12.666 19.815 4.793 388 HA GLU 57 HA GLU 57 -13.194 22.588 5.451 389 HB2 GLU 57 HB2 GLU 57 -11.296 20.489 6.529 390 HB3 GLU 57 HB3 GLU 57 -10.990 22.185 6.840 391 HG2 GLU 57 HG2 GLU 57 -13.760 21.815 7.376 392 HG3 GLU 57 HG3 GLU 57 -12.965 20.416 8.071 393 HE2 GLU 57 HE2 GLU 57 -11.443 23.881 8.441 394 H MET 58 HN MET 58 -10.486 20.502 4.198 395 HA MET 58 HA MET 58 -8.885 22.594 3.413 396 HB2 MET 58 HB2 MET 58 -8.693 19.859 3.464 397 HB3 MET 58 HB3 MET 58 -8.947 20.079 1.744 398 HG2 MET 58 HG2 MET 58 -6.570 20.146 2.029 399 HG3 MET 58 HG3 MET 58 -7.043 21.818 1.802 400 HE1 MET 58 HE1 MET 58 -5.441 23.554 4.083 401 HE2 MET 58 HE2 MET 58 -6.844 23.465 2.993 402 HE3 MET 58 HE3 MET 58 -7.089 23.563 4.752 403 H LYS 59 HN LYS 59 -11.902 21.531 2.106 404 HA LYS 59 HA LYS 59 -13.093 22.181 0.365 405 HB2 LYS 59 HB2 LYS 59 -11.082 24.373 0.553 406 HB3 LYS 59 HB3 LYS 59 -12.007 24.273 -0.930 407 HG2 LYS 59 HG2 LYS 59 -13.842 23.856 1.250 408 HG3 LYS 59 HG3 LYS 59 -12.858 25.250 1.656 409 HD2 LYS 59 HD2 LYS 59 -13.490 26.423 -0.345 410 HD3 LYS 59 HD3 LYS 59 -14.117 24.971 -1.100 411 HE2 LYS 59 HE2 LYS 59 -15.553 25.251 1.353 412 HE3 LYS 59 HE3 LYS 59 -15.484 26.857 0.654 413 HZ1 LYS 59 HZ1 LYS 59 -16.253 25.761 -1.485 414 HZ2 LYS 59 HZ2 LYS 59 -16.563 24.413 -0.625 415 H LYS 60 HN LYS 60 -10.429 20.445 0.257 416 HA LYS 60 HA LYS 60 -10.539 20.199 -2.663 417 HB2 LYS 60 HB2 LYS 60 -8.055 19.545 -2.459 418 HB3 LYS 60 HB3 LYS 60 -8.478 21.244 -2.427 419 HG2 LYS 60 HG2 LYS 60 -8.504 21.087 0.135 420 HG3 LYS 60 HG3 LYS 60 -7.840 19.473 -0.024 421 HD2 LYS 60 HD2 LYS 60 -6.563 22.098 -0.895 422 HD3 LYS 60 HD3 LYS 60 -5.972 20.973 0.312 423 HE2 LYS 60 HE2 LYS 60 -4.630 20.330 -1.470 424 HE3 LYS 60 HE3 LYS 60 -5.987 19.257 -1.750 425 HZ1 LYS 60 HZ1 LYS 60 -6.434 21.793 -2.975 426 HZ2 LYS 60 HZ2 LYS 60 -5.037 21.150 -3.509 427 H GLY 61 HN GLY 61 -10.966 18.160 -3.372 428 HA2 GLY 61 HA1 GLY 61 -10.417 15.788 -3.065 429 HA3 GLY 61 HA2 GLY 61 -10.769 15.996 -1.361 430 HA PRO 62 HA PRO 62 -14.737 14.985 -3.604 431 HB2 PRO 62 HB2 PRO 62 -14.700 12.269 -3.824 432 HB3 PRO 62 HB3 PRO 62 -13.847 13.325 -4.997 433 HG2 PRO 62 HG2 PRO 62 -12.324 11.592 -2.821 434 HG3 PRO 62 HG3 PRO 62 -12.242 12.343 -4.449 435 HD2 PRO 62 HD2 PRO 62 -11.531 13.455 -1.745 436 HD3 PRO 62 HD3 PRO 62 -10.964 13.964 -3.365 437 H THR 63 HN THR 63 -16.679 14.367 -2.463 438 HA THR 63 HA THR 63 -16.163 13.288 0.231 439 HB THR 63 HB THR 63 -17.996 14.803 0.985 440 HG1 THR 63 HG1 THR 63 -18.977 14.720 -1.254 441 HG21 THR 63 HG2 THR 63 -16.957 17.045 0.407 442 H LYS 64 HN LYS 64 -17.639 12.835 -2.818 443 HA LYS 64 HA LYS 64 -20.013 11.580 -2.020 444 HB2 LYS 64 HB2 LYS 64 -18.320 11.456 -4.518 445 HB3 LYS 64 HB3 LYS 64 -19.787 10.513 -4.347 446 HG2 LYS 64 HG2 LYS 64 -20.032 13.399 -3.602 447 HG3 LYS 64 HG3 LYS 64 -19.721 13.089 -5.299 448 HD2 LYS 64 HD2 LYS 64 -21.870 12.446 -5.622 449 HD3 LYS 64 HD3 LYS 64 -21.721 11.206 -4.393 450 HE2 LYS 64 HE2 LYS 64 -22.725 12.497 -2.767 451 HE3 LYS 64 HE3 LYS 64 -21.966 13.977 -3.319 452 HZ1 LYS 64 HZ1 LYS 64 -23.694 14.405 -4.724 453 HZ2 LYS 64 HZ2 LYS 64 -23.941 12.848 -5.133 454 H CYS 65 HN CYS 65 -20.509 9.229 -2.137 455 HA CYS 65 HA CYS 65 -18.662 7.812 -0.546 456 HB2 CYS 65 HB2 CYS 65 -20.807 6.321 -1.945 457 HB3 CYS 65 HB3 CYS 65 -20.302 6.272 -0.267 458 H GLY 66 HN GLY 66 -19.988 7.236 -3.897 459 HA2 GLY 66 HA1 GLY 66 -18.442 5.163 -4.708 460 HA3 GLY 66 HA2 GLY 66 -18.978 6.460 -5.759 461 H GLU 67 HN GLU 67 -17.391 8.461 -3.984 462 HA GLU 67 HA GLU 67 -15.057 8.333 -5.560 463 HB2 GLU 67 HB2 GLU 67 -15.925 10.139 -3.269 464 HB3 GLU 67 HB3 GLU 67 -14.395 10.344 -4.097 465 HG2 GLU 67 HG2 GLU 67 -17.032 10.230 -5.617 466 HG3 GLU 67 HG3 GLU 67 -16.413 11.732 -4.959 467 HE2 GLU 67 HE2 GLU 67 -15.158 11.938 -8.125 468 H CYS 68 HN CYS 68 -15.938 7.492 -2.198 469 HA CYS 68 HA CYS 68 -13.152 6.818 -1.672 470 HB2 CYS 68 HB2 CYS 68 -15.512 7.453 0.055 471 HB3 CYS 68 HB3 CYS 68 -14.309 6.350 0.693 472 H HIS 69 HN HIS 69 -16.485 5.573 -1.536 473 HA HIS 69 HA HIS 69 -15.534 2.779 -1.271 474 HB2 HIS 69 HB2 HIS 69 -18.337 4.029 -1.299 475 HB3 HIS 69 HB3 HIS 69 -17.962 2.275 -1.010 476 HD1 HIS 69 HD1 HIS 69 -16.382 1.896 1.148 477 HD2 HIS 69 HD2 HIS 69 -18.512 5.488 0.995 478 HE1 HIS 69 HE1 HIS 69 -16.461 2.788 3.565 479 H LYS 70 HN LYS 70 -15.995 1.115 -2.811 480 HA LYS 70 HA LYS 70 -16.561 2.181 -5.490 481 HB2 LYS 70 HB2 LYS 70 -14.227 1.411 -5.145 482 HB3 LYS 70 HB3 LYS 70 -14.822 -0.183 -4.728 483 HG2 LYS 70 HG2 LYS 70 -16.066 0.628 -7.213 484 HG3 LYS 70 HG3 LYS 70 -14.341 0.899 -7.348 485 HD2 LYS 70 HD2 LYS 70 -15.349 -1.714 -6.191 486 HD3 LYS 70 HD3 LYS 70 -15.362 -1.481 -7.928 487 HE2 LYS 70 HE2 LYS 70 -13.106 -1.759 -8.080 488 HE3 LYS 70 HE3 LYS 70 -12.803 -0.616 -6.787 489 HZ1 LYS 70 HZ1 LYS 70 -13.337 -2.408 -5.189 490 HZ2 LYS 70 HZ2 LYS 70 -13.555 -3.466 -6.408 491 H LYS 71 HN LYS 71 -18.653 1.761 -5.981 492 HA LYS 71 HA LYS 71 -19.602 -0.948 -5.349 493 HB2 LYS 71 HB2 LYS 71 -20.757 1.676 -4.697 494 HB3 LYS 71 HB3 LYS 71 -21.881 0.604 -5.506 495 HG2 LYS 71 HG2 LYS 71 -21.140 -1.221 -3.830 496 HG3 LYS 71 HG3 LYS 71 -20.325 0.053 -2.944 497 HD2 LYS 71 HD2 LYS 71 -22.305 1.023 -2.225 498 HD3 LYS 71 HD3 LYS 71 -23.170 0.614 -3.693 499 HE2 LYS 71 HE2 LYS 71 -23.039 -1.858 -2.893 500 HE3 LYS 71 HE3 LYS 71 -22.530 -1.217 -1.343 501 HZ1 LYS 71 HZ1 LYS 71 -24.641 -0.634 -0.892 502 HZ2 LYS 71 HZ2 LYS 71 -24.840 0.156 -2.303 Start of MODEL 4 1 H1 ALA 1 HN ALA 1 2.717 2.217 1.184 2 HA ALA 1 HA ALA 1 5.205 1.492 -0.044 3 HB1 ALA 1 HB1 ALA 1 2.669 -0.003 -0.824 4 HB2 ALA 1 HB2 ALA 1 4.276 -0.169 -1.571 5 HB3 ALA 1 HB3 ALA 1 4.016 -0.700 0.108 6 H ASP 2 HN ASP 2 1.682 2.010 -0.805 7 HA ASP 2 HA ASP 2 2.193 4.565 -1.817 8 HB2 ASP 2 HB2 ASP 2 1.274 3.756 -4.212 9 HB3 ASP 2 HB3 ASP 2 2.989 3.838 -3.859 10 HD2 ASP 2 HD2 ASP 2 0.935 2.073 -5.311 11 H ASP 3 HN ASP 3 0.100 1.757 -2.853 12 HA ASP 3 HA ASP 3 -2.215 3.388 -2.342 13 HB2 ASP 3 HB2 ASP 3 -3.434 1.763 -3.599 14 HB3 ASP 3 HB3 ASP 3 -1.894 1.919 -4.422 15 HD2 ASP 3 HD2 ASP 3 -0.879 -0.461 -4.688 16 H ILE 4 HN ILE 4 -3.701 2.940 -0.639 17 HA ILE 4 HA ILE 4 -3.075 0.592 1.010 18 HB ILE 4 HB ILE 4 -3.784 3.373 1.953 19 HG12 ILE 4 HG1 ILE 4 -1.218 1.856 1.729 20 HG23 ILE 4 HG2 ILE 4 -4.772 1.417 3.252 21 HD11 ILE 4 HD1 ILE 4 -2.079 3.609 4.046 22 H VAL 5 HN VAL 5 -4.719 -0.821 0.747 23 HA VAL 5 HA VAL 5 -7.349 0.222 0.115 24 HB VAL 5 HB VAL 5 -6.194 -2.569 0.259 25 HG13 VAL 5 HG1 VAL 5 -8.813 -2.041 0.662 26 HG21 VAL 5 HG2 VAL 5 -5.648 -2.367 -1.906 27 H LEU 6 HN LEU 6 -9.027 0.370 1.543 28 HA LEU 6 HA LEU 6 -8.498 -0.691 4.228 29 HB2 LEU 6 HB2 LEU 6 -10.328 1.587 3.477 30 HB3 LEU 6 HB3 LEU 6 -9.865 1.077 5.089 31 HG LEU 6 HG LEU 6 -7.790 2.027 3.121 32 HD13 LEU 6 HD1 LEU 6 -8.861 3.998 3.028 33 HD21 LEU 6 HD2 LEU 6 -7.436 0.856 5.489 34 H LYS 7 HN LYS 7 -9.310 -2.796 3.866 35 HA LYS 7 HA LYS 7 -11.520 -3.524 2.496 36 HB2 LYS 7 HB2 LYS 7 -10.282 -4.600 5.026 37 HB3 LYS 7 HB3 LYS 7 -11.694 -5.359 4.320 38 HG2 LYS 7 HG2 LYS 7 -9.819 -4.849 2.187 39 HG3 LYS 7 HG3 LYS 7 -8.935 -5.598 3.501 40 HD2 LYS 7 HD2 LYS 7 -10.048 -7.606 3.293 41 HD3 LYS 7 HD3 LYS 7 -11.585 -6.842 2.937 42 HE2 LYS 7 HE2 LYS 7 -9.388 -6.658 0.870 43 HE3 LYS 7 HE3 LYS 7 -10.228 -8.186 1.051 44 HZ1 LYS 7 HZ1 LYS 7 -12.348 -6.865 0.806 45 HZ2 LYS 7 HZ2 LYS 7 -11.454 -5.567 0.393 46 H ALA 8 HN ALA 8 -13.680 -3.171 2.591 47 HA ALA 8 HA ALA 8 -14.767 -2.256 5.155 48 HB1 ALA 8 HB1 ALA 8 -15.943 -0.460 4.096 49 HB2 ALA 8 HB2 ALA 8 -14.254 -0.340 3.549 50 HB3 ALA 8 HB3 ALA 8 -15.492 -1.029 2.472 51 H LYS 9 HN LYS 9 -17.124 -2.628 5.337 52 HA LYS 9 HA LYS 9 -17.811 -5.084 3.970 53 HB2 LYS 9 HB2 LYS 9 -18.167 -4.150 6.551 54 HB3 LYS 9 HB3 LYS 9 -19.762 -3.961 5.852 55 HG2 LYS 9 HG2 LYS 9 -20.077 -6.182 6.201 56 HG3 LYS 9 HG3 LYS 9 -18.937 -6.474 4.903 57 HD2 LYS 9 HD2 LYS 9 -17.825 -5.891 7.647 58 HD3 LYS 9 HD3 LYS 9 -18.552 -7.463 7.379 59 HE2 LYS 9 HE2 LYS 9 -17.003 -7.265 5.118 60 HE3 LYS 9 HE3 LYS 9 -16.039 -6.315 6.233 61 HZ1 LYS 9 HZ1 LYS 9 -15.573 -8.151 7.484 62 HZ2 LYS 9 HZ2 LYS 9 -17.031 -8.845 7.279 63 H ASN 10 HN ASN 10 -18.362 -1.656 3.721 64 HA ASN 10 HA ASN 10 -20.551 -2.240 1.882 65 HB2 ASN 10 HB2 ASN 10 -20.051 0.265 3.575 66 HB3 ASN 10 HB3 ASN 10 -21.301 0.154 2.352 67 HD21 ASN 10 HD2 ASN 10 -23.628 -1.109 4.558 68 H GLY 11 HN GLY 11 -18.454 -2.567 0.465 69 HA2 GLY 11 HA1 GLY 11 -17.417 -1.766 -1.393 70 HA3 GLY 11 HA2 GLY 11 -18.023 -0.157 -1.053 71 H ASP 12 HN ASP 12 -15.226 -1.938 -1.315 72 HA ASP 12 HA ASP 12 -13.762 -1.250 0.900 73 HB2 ASP 12 HB2 ASP 12 -13.210 -2.783 -1.158 74 HB3 ASP 12 HB3 ASP 12 -12.607 -1.321 -1.913 75 HD2 ASP 12 HD2 ASP 12 -10.336 -3.471 0.215 76 H VAL 13 HN VAL 13 -11.692 0.329 0.630 77 HA VAL 13 HA VAL 13 -12.550 2.770 -0.753 78 HB VAL 13 HB VAL 13 -11.432 2.552 2.050 79 HG13 VAL 13 HG1 VAL 13 -10.702 4.543 0.596 80 HG21 VAL 13 HG2 VAL 13 -14.174 3.435 1.084 81 H LYS 14 HN LYS 14 -11.061 3.299 -2.256 82 HA LYS 14 HA LYS 14 -8.377 2.220 -1.928 83 HB2 LYS 14 HB2 LYS 14 -8.301 2.090 -4.166 84 HB3 LYS 14 HB3 LYS 14 -10.042 2.269 -4.081 85 HG2 LYS 14 HG2 LYS 14 -8.138 4.645 -4.286 86 HG3 LYS 14 HG3 LYS 14 -8.842 3.865 -5.688 87 HD2 LYS 14 HD2 LYS 14 -10.670 4.770 -3.453 88 HD3 LYS 14 HD3 LYS 14 -10.031 5.970 -4.559 89 HE2 LYS 14 HE2 LYS 14 -11.091 3.546 -5.914 90 HE3 LYS 14 HE3 LYS 14 -12.302 4.432 -5.008 91 HZ1 LYS 14 HZ1 LYS 14 -10.705 5.364 -7.293 92 HZ2 LYS 14 HZ2 LYS 14 -12.302 5.542 -7.027 93 H PHE 15 HN PHE 15 -6.967 3.442 -0.795 94 HA PHE 15 HA PHE 15 -7.059 6.331 -1.302 95 HB2 PHE 15 HB2 PHE 15 -7.880 5.324 1.011 96 HB3 PHE 15 HB3 PHE 15 -6.194 4.932 1.286 97 HD1 PHE 15 HD2 PHE 15 -7.543 7.983 -0.347 98 HD2 PHE 15 HD1 PHE 15 -5.658 6.338 3.080 99 HE1 PHE 15 HE2 PHE 15 -7.152 10.296 0.546 100 HE2 PHE 15 HE1 PHE 15 -5.267 8.651 3.974 101 HZ PHE 15 HZ PHE 15 -6.019 10.602 2.697 102 HA PRO 16 HA PRO 16 -2.879 5.220 -2.488 103 HB2 PRO 16 HB2 PRO 16 -2.501 7.418 -4.088 104 HB3 PRO 16 HB3 PRO 16 -3.500 6.013 -4.588 105 HG2 PRO 16 HG2 PRO 16 -4.664 8.798 -3.653 106 HG3 PRO 16 HG3 PRO 16 -4.775 7.441 -4.821 107 HD2 PRO 16 HD2 PRO 16 -6.063 7.754 -2.195 108 HD3 PRO 16 HD3 PRO 16 -6.257 6.420 -3.372 109 H HIS 17 HN HIS 17 -2.162 5.532 -0.298 110 HA HIS 17 HA HIS 17 -1.916 7.912 1.123 111 HB2 HIS 17 HB2 HIS 17 -1.430 5.520 1.836 112 HB3 HIS 17 HB3 HIS 17 0.189 5.688 1.031 113 HD1 HIS 17 HD1 HIS 17 1.977 6.681 2.348 114 HD2 HIS 17 HD2 HIS 17 -1.745 7.295 4.148 115 HE1 HIS 17 HE1 HIS 17 2.460 7.687 4.671 116 H LYS 18 HN LYS 18 0.495 6.548 -1.268 117 HA LYS 18 HA LYS 18 2.411 8.450 -1.093 118 HB2 LYS 18 HB2 LYS 18 2.847 6.631 -2.486 119 HB3 LYS 18 HB3 LYS 18 1.354 6.815 -3.384 120 HG2 LYS 18 HG2 LYS 18 2.315 9.119 -4.155 121 HG3 LYS 18 HG3 LYS 18 3.853 8.542 -3.546 122 HD2 LYS 18 HD2 LYS 18 2.403 6.604 -5.290 123 HD3 LYS 18 HD3 LYS 18 2.909 8.075 -6.098 124 HE2 LYS 18 HE2 LYS 18 5.171 7.603 -5.859 125 HE3 LYS 18 HE3 LYS 18 4.956 6.797 -4.319 126 HZ1 LYS 18 HZ1 LYS 18 5.273 5.543 -6.728 127 HZ2 LYS 18 HZ2 LYS 18 4.757 4.824 -5.361 128 H ALA 19 HN ALA 19 -0.763 8.671 -2.772 129 HA ALA 19 HA ALA 19 -0.265 11.137 -4.005 130 HB1 ALA 19 HB1 ALA 19 -2.136 9.338 -4.349 131 HB2 ALA 19 HB2 ALA 19 -2.991 10.234 -3.070 132 HB3 ALA 19 HB3 ALA 19 -2.535 11.057 -4.581 133 H HIS 20 HN HIS 20 -1.776 10.216 -0.926 134 HA HIS 20 HA HIS 20 -2.065 13.027 -0.088 135 HB2 HIS 20 HB2 HIS 20 -2.865 10.295 0.961 136 HB3 HIS 20 HB3 HIS 20 -2.824 11.712 2.094 137 HD1 HIS 20 HD1 HIS 20 -4.184 11.281 -1.428 138 HD2 HIS 20 HD2 HIS 20 -5.380 12.576 2.362 139 HE1 HIS 20 HE1 HIS 20 -6.620 12.087 -1.679 140 H GLN 21 HN GLN 21 0.655 11.548 -0.597 141 HA GLN 21 HA GLN 21 1.749 12.080 2.053 142 HB2 GLN 21 HB2 GLN 21 2.008 9.783 0.602 143 HB3 GLN 21 HB3 GLN 21 3.408 10.655 0.012 144 HG2 GLN 21 HG2 GLN 21 4.410 10.775 2.154 145 HG3 GLN 21 HG3 GLN 21 2.888 10.556 2.994 146 HE21 GLN 21 HE2 GLN 21 4.448 7.372 3.534 147 H LYS 22 HN LYS 22 1.366 13.350 -1.073 148 HA LYS 22 HA LYS 22 3.743 15.034 -0.696 149 HB2 LYS 22 HB2 LYS 22 3.009 13.364 -2.951 150 HB3 LYS 22 HB3 LYS 22 3.089 15.046 -3.436 151 HG2 LYS 22 HG2 LYS 22 5.355 15.161 -2.200 152 HG3 LYS 22 HG3 LYS 22 5.274 13.415 -2.070 153 HD2 LYS 22 HD2 LYS 22 4.799 14.581 -4.798 154 HD3 LYS 22 HD3 LYS 22 6.433 14.688 -4.176 155 HE2 LYS 22 HE2 LYS 22 6.801 12.450 -4.446 156 HE3 LYS 22 HE3 LYS 22 5.272 12.022 -3.708 157 HZ1 LYS 22 HZ1 LYS 22 4.466 13.042 -6.067 158 HZ2 LYS 22 HZ2 LYS 22 5.884 12.378 -6.513 159 H ALA 23 HN ALA 23 0.335 14.746 -0.843 160 HA ALA 23 HA ALA 23 -0.150 17.359 -1.928 161 HB1 ALA 23 HB1 ALA 23 -2.462 16.522 -0.646 162 HB2 ALA 23 HB2 ALA 23 -2.039 16.188 -2.343 163 HB3 ALA 23 HB3 ALA 23 -1.674 14.987 -1.081 164 H VAL 24 HN VAL 24 1.095 16.184 0.992 165 HA VAL 24 HA VAL 24 0.231 18.639 2.344 166 HB VAL 24 HB VAL 24 0.737 16.156 3.916 167 HG13 VAL 24 HG1 VAL 24 -1.040 17.189 5.351 168 HG21 VAL 24 HG2 VAL 24 -1.801 16.707 2.352 169 HA PRO 25 HA PRO 25 4.736 18.860 1.396 170 HB2 PRO 25 HB2 PRO 25 3.953 21.335 2.999 171 HB3 PRO 25 HB3 PRO 25 5.087 21.155 1.622 172 HG2 PRO 25 HG2 PRO 25 2.508 21.931 1.307 173 HG3 PRO 25 HG3 PRO 25 3.286 21.082 -0.068 174 HD2 PRO 25 HD2 PRO 25 1.100 20.187 1.687 175 HD3 PRO 25 HD3 PRO 25 1.799 19.345 0.270 176 H ASP 26 HN ASP 26 2.916 19.370 4.504 177 HA ASP 26 HA ASP 26 5.135 18.004 5.780 178 HB2 ASP 26 HB2 ASP 26 5.350 20.465 6.202 179 HB3 ASP 26 HB3 ASP 26 3.725 20.493 6.854 180 HD2 ASP 26 HD2 ASP 26 4.712 18.429 9.565 181 H CYS 27 HN CYS 27 3.680 16.119 5.784 182 HA CYS 27 HA CYS 27 1.064 16.074 6.481 183 HB2 CYS 27 HB2 CYS 27 1.359 13.751 7.062 184 HB3 CYS 27 HB3 CYS 27 2.288 14.147 5.631 185 H LYS 28 HN LYS 28 0.755 14.461 8.812 186 HA LYS 28 HA LYS 28 1.142 14.441 11.081 187 HB2 LYS 28 HB2 LYS 28 3.185 15.921 10.730 188 HB3 LYS 28 HB3 LYS 28 2.121 17.299 10.919 189 HG2 LYS 28 HG2 LYS 28 1.361 16.292 13.149 190 HG3 LYS 28 HG3 LYS 28 2.625 15.091 12.964 191 HD2 LYS 28 HD2 LYS 28 4.347 16.885 12.875 192 HD3 LYS 28 HD3 LYS 28 3.098 18.109 12.993 193 HE2 LYS 28 HE2 LYS 28 2.670 17.666 15.251 194 HE3 LYS 28 HE3 LYS 28 3.143 15.983 15.126 195 HZ1 LYS 28 HZ1 LYS 28 5.463 16.694 14.969 196 HZ2 LYS 28 HZ2 LYS 28 5.043 18.266 15.029 197 H LYS 29 HN LYS 29 -0.604 16.432 8.936 198 HA LYS 29 HA LYS 29 -2.226 17.769 10.841 199 HB2 LYS 29 HB2 LYS 29 -1.754 18.387 8.388 200 HB3 LYS 29 HB3 LYS 29 -2.955 17.182 7.970 201 HG2 LYS 29 HG2 LYS 29 -4.630 18.626 8.462 202 HG3 LYS 29 HG3 LYS 29 -4.036 18.802 10.102 203 HD2 LYS 29 HD2 LYS 29 -3.577 20.962 9.552 204 HD3 LYS 29 HD3 LYS 29 -2.207 20.329 8.661 205 HE2 LYS 29 HE2 LYS 29 -3.219 20.632 6.605 206 HE3 LYS 29 HE3 LYS 29 -4.813 20.214 7.203 207 HZ1 LYS 29 HZ1 LYS 29 -5.243 22.375 7.705 208 HZ2 LYS 29 HZ2 LYS 29 -3.751 22.688 8.278 209 H CYS 30 HN CYS 30 -2.030 14.514 9.622 210 HA CYS 30 HA CYS 30 -4.720 14.005 10.662 211 HB2 CYS 30 HB2 CYS 30 -3.415 11.889 9.054 212 HB3 CYS 30 HB3 CYS 30 -5.077 12.447 9.051 213 H HIS 31 HN HIS 31 -1.327 13.017 10.509 214 HA HIS 31 HA HIS 31 -1.652 11.015 12.659 215 HB2 HIS 31 HB2 HIS 31 0.800 11.951 11.067 216 HB3 HIS 31 HB3 HIS 31 0.745 10.556 12.228 217 HD1 HIS 31 HD1 HIS 31 -1.868 9.289 11.235 218 HD2 HIS 31 HD2 HIS 31 1.224 10.567 8.729 219 HE1 HIS 31 HE1 HIS 31 -2.095 7.925 9.060 220 H GLU 32 HN GLU 32 -2.464 13.478 13.618 221 HA GLU 32 HA GLU 32 -0.420 15.009 14.700 222 HB2 GLU 32 HB2 GLU 32 -2.911 15.588 14.440 223 HB3 GLU 32 HB3 GLU 32 -3.200 14.646 15.889 224 HG2 GLU 32 HG2 GLU 32 -1.612 16.096 17.159 225 HG3 GLU 32 HG3 GLU 32 -1.292 17.027 15.710 226 HE2 GLU 32 HE2 GLU 32 -4.076 16.047 17.645 227 H LYS 33 HN LYS 33 0.989 13.079 15.362 228 HA LYS 33 HA LYS 33 1.348 12.919 17.999 229 HB2 LYS 33 HB2 LYS 33 -0.516 11.951 18.815 230 HB3 LYS 33 HB3 LYS 33 -0.990 11.288 17.264 231 HG2 LYS 33 HG2 LYS 33 0.197 9.311 17.577 232 HG3 LYS 33 HG3 LYS 33 1.450 10.082 18.530 233 HD2 LYS 33 HD2 LYS 33 -0.427 10.406 20.342 234 HD3 LYS 33 HD3 LYS 33 -1.320 9.208 19.425 235 HE2 LYS 33 HE2 LYS 33 0.433 7.543 19.731 236 HE3 LYS 33 HE3 LYS 33 1.535 8.735 20.392 237 HZ1 LYS 33 HZ1 LYS 33 0.453 7.427 22.147 238 HZ2 LYS 33 HZ2 LYS 33 0.038 8.994 22.294 239 H GLY 34 HN GLY 34 0.865 10.424 15.395 240 HA2 GLY 34 HA1 GLY 34 3.540 10.245 14.666 241 HA3 GLY 34 HA2 GLY 34 3.296 9.086 15.958 242 HA PRO 35 HA PRO 35 1.877 7.684 11.546 243 HB2 PRO 35 HB2 PRO 35 3.933 5.813 11.261 244 HB3 PRO 35 HB3 PRO 35 3.983 7.494 10.634 245 HG2 PRO 35 HG2 PRO 35 5.153 6.479 13.377 246 HG3 PRO 35 HG3 PRO 35 5.986 7.443 12.115 247 HD2 PRO 35 HD2 PRO 35 4.804 8.700 14.172 248 HD3 PRO 35 HD3 PRO 35 4.526 9.322 12.517 249 H GLY 36 HN GLY 36 2.330 4.823 11.234 250 HA2 GLY 36 HA1 GLY 36 1.661 2.823 12.036 251 HA3 GLY 36 HA2 GLY 36 1.779 3.454 13.666 252 H LYS 37 HN LYS 37 -0.313 1.715 12.961 253 HA LYS 37 HA LYS 37 -2.618 2.653 11.971 254 HB2 LYS 37 HB2 LYS 37 -3.766 1.109 13.472 255 HB3 LYS 37 HB3 LYS 37 -2.306 0.389 12.823 256 HG2 LYS 37 HG2 LYS 37 -1.442 0.102 14.901 257 HG3 LYS 37 HG3 LYS 37 -1.655 1.801 15.280 258 HD2 LYS 37 HD2 LYS 37 -3.842 1.469 16.156 259 HD3 LYS 37 HD3 LYS 37 -4.051 -0.057 15.322 260 HE2 LYS 37 HE2 LYS 37 -1.728 -0.224 17.073 261 HE3 LYS 37 HE3 LYS 37 -3.105 0.356 17.987 262 HZ1 LYS 37 HZ1 LYS 37 -2.755 -2.200 17.617 263 HZ2 LYS 37 HZ2 LYS 37 -4.266 -1.594 17.597 264 H ILE 38 HN ILE 38 -3.604 4.586 12.191 265 HA ILE 38 HA ILE 38 -3.114 6.383 14.205 266 HB ILE 38 HB ILE 38 -5.263 6.010 12.172 267 HG12 ILE 38 HG1 ILE 38 -3.448 8.375 12.679 268 HG23 ILE 38 HG2 ILE 38 -6.645 6.822 13.880 269 HD11 ILE 38 HD1 ILE 38 -5.571 8.304 11.068 270 H GLU 39 HN GLU 39 -3.992 6.852 16.216 271 HA GLU 39 HA GLU 39 -4.646 5.081 17.942 272 HB2 GLU 39 HB2 GLU 39 -6.005 6.732 19.174 273 HB3 GLU 39 HB3 GLU 39 -4.620 7.503 18.427 274 HG2 GLU 39 HG2 GLU 39 -6.027 8.943 17.386 275 HG3 GLU 39 HG3 GLU 39 -6.674 7.601 16.463 276 HE2 GLU 39 HE2 GLU 39 -8.589 8.445 19.901 277 H GLY 40 HN GLY 40 -5.733 3.187 17.370 278 HA2 GLY 40 HA1 GLY 40 -7.416 1.911 16.473 279 HA3 GLY 40 HA2 GLY 40 -8.273 2.695 17.785 280 H PHE 41 HN PHE 41 -7.256 3.330 14.351 281 HA PHE 41 HA PHE 41 -9.104 5.327 13.855 282 HB2 PHE 41 HB2 PHE 41 -7.155 4.712 12.413 283 HB3 PHE 41 HB3 PHE 41 -7.837 3.126 12.120 284 HD1 PHE 41 HD1 PHE 41 -8.053 6.681 11.286 285 HD2 PHE 41 HD2 PHE 41 -9.661 2.824 10.548 286 HE1 PHE 41 HE1 PHE 41 -9.205 7.555 9.235 287 HE2 PHE 41 HE2 PHE 41 -10.814 3.698 8.496 288 HZ PHE 41 HZ PHE 41 -10.573 6.052 7.864 289 H GLY 42 HN GLY 42 -11.242 5.384 13.176 290 HA2 GLY 42 HA1 GLY 42 -12.569 2.796 12.698 291 HA3 GLY 42 HA2 GLY 42 -13.201 3.902 13.901 292 H LYS 43 HN LYS 43 -14.943 3.289 11.931 293 HA LYS 43 HA LYS 43 -14.740 4.828 9.602 294 HB2 LYS 43 HB2 LYS 43 -16.973 3.421 11.045 295 HB3 LYS 43 HB3 LYS 43 -17.332 4.457 9.678 296 HG2 LYS 43 HG2 LYS 43 -17.017 2.196 8.838 297 HG3 LYS 43 HG3 LYS 43 -15.660 3.164 8.299 298 HD2 LYS 43 HD2 LYS 43 -15.410 1.688 10.922 299 HD3 LYS 43 HD3 LYS 43 -15.293 0.765 9.437 300 HE2 LYS 43 HE2 LYS 43 -13.689 3.155 9.139 301 HE3 LYS 43 HE3 LYS 43 -13.276 2.410 10.670 302 HZ1 LYS 43 HZ1 LYS 43 -12.118 1.582 8.520 303 HZ2 LYS 43 HZ2 LYS 43 -12.593 0.466 9.607 304 H GLU 44 HN GLU 44 -16.632 5.397 12.655 305 HA GLU 44 HA GLU 44 -17.735 7.738 12.099 306 HB2 GLU 44 HB2 GLU 44 -17.883 6.487 14.272 307 HB3 GLU 44 HB3 GLU 44 -16.302 7.101 14.716 308 HG2 GLU 44 HG2 GLU 44 -18.467 8.371 15.539 309 HG3 GLU 44 HG3 GLU 44 -17.074 9.295 15.013 310 HE2 GLU 44 HE2 GLU 44 -19.308 11.051 13.407 311 H MET 45 HN MET 45 -14.271 7.152 12.775 312 HA MET 45 HA MET 45 -13.641 9.895 12.982 313 HB2 MET 45 HB2 MET 45 -12.378 7.425 13.474 314 HB3 MET 45 HB3 MET 45 -11.480 8.047 12.105 315 HG2 MET 45 HG2 MET 45 -10.280 9.165 13.717 316 HG3 MET 45 HG3 MET 45 -11.598 10.316 13.633 317 HE1 MET 45 HE1 MET 45 -12.238 10.714 17.076 318 HE2 MET 45 HE2 MET 45 -12.111 11.280 15.393 319 HE3 MET 45 HE3 MET 45 -13.578 10.433 15.938 320 H ALA 46 HN ALA 46 -13.535 7.428 10.355 321 HA ALA 46 HA ALA 46 -12.119 8.804 8.465 322 HB1 ALA 46 HB1 ALA 46 -12.705 7.001 7.253 323 HB2 ALA 46 HB2 ALA 46 -13.706 6.486 8.632 324 HB3 ALA 46 HB3 ALA 46 -14.427 7.445 7.317 325 H HIS 47 HN HIS 47 -15.680 8.650 8.581 326 HA HIS 47 HA HIS 47 -16.109 10.869 6.837 327 HB2 HIS 47 HB2 HIS 47 -18.057 9.900 8.983 328 HB3 HIS 47 HB3 HIS 47 -18.409 10.602 7.345 329 HD1 HIS 47 HD1 HIS 47 -18.351 7.529 9.109 330 HD2 HIS 47 HD2 HIS 47 -17.447 8.674 5.193 331 HE1 HIS 47 HE1 HIS 47 -18.461 5.380 7.689 332 H GLY 48 HN GLY 48 -14.963 10.767 10.098 333 HA2 GLY 48 HA1 GLY 48 -16.121 13.176 11.070 334 HA3 GLY 48 HA2 GLY 48 -14.723 12.332 11.705 335 H LYS 49 HN LYS 49 -12.972 13.666 11.782 336 HA LYS 49 HA LYS 49 -12.617 15.501 9.516 337 HB2 LYS 49 HB2 LYS 49 -13.058 16.373 11.942 338 HB3 LYS 49 HB3 LYS 49 -11.388 15.928 12.231 339 HG2 LYS 49 HG2 LYS 49 -11.258 17.274 9.776 340 HG3 LYS 49 HG3 LYS 49 -12.485 18.172 10.649 341 HD2 LYS 49 HD2 LYS 49 -10.206 17.525 12.388 342 HD3 LYS 49 HD3 LYS 49 -9.684 18.397 10.961 343 HE2 LYS 49 HE2 LYS 49 -11.739 19.987 11.504 344 HE3 LYS 49 HE3 LYS 49 -11.638 19.281 13.104 345 HZ1 LYS 49 HZ1 LYS 49 -10.250 21.247 12.987 346 HZ2 LYS 49 HZ2 LYS 49 -9.267 19.958 13.153 347 H GLY 50 HN GLY 50 -11.881 12.799 9.237 348 HA2 GLY 50 HA1 GLY 50 -8.984 13.116 8.986 349 HA3 GLY 50 HA2 GLY 50 -9.566 11.772 9.947 350 H CYS 51 HN CYS 51 -11.215 13.157 7.060 351 HA CYS 51 HA CYS 51 -10.190 11.410 5.182 352 HB2 CYS 51 HB2 CYS 51 -11.605 9.900 6.912 353 HB3 CYS 51 HB3 CYS 51 -12.895 10.370 5.822 354 H LYS 52 HN LYS 52 -13.558 12.363 6.208 355 HA LYS 52 HA LYS 52 -13.871 13.687 3.632 356 HB2 LYS 52 HB2 LYS 52 -15.595 12.098 4.268 357 HB3 LYS 52 HB3 LYS 52 -15.863 12.927 5.788 358 HG2 LYS 52 HG2 LYS 52 -16.050 14.873 3.653 359 HG3 LYS 52 HG3 LYS 52 -17.044 13.493 3.226 360 HD2 LYS 52 HD2 LYS 52 -17.865 13.684 5.760 361 HD3 LYS 52 HD3 LYS 52 -17.275 15.327 5.621 362 HE2 LYS 52 HE2 LYS 52 -19.036 14.279 3.406 363 HE3 LYS 52 HE3 LYS 52 -19.795 14.664 4.939 364 HZ1 LYS 52 HZ1 LYS 52 -18.436 16.868 4.675 365 HZ2 LYS 52 HZ2 LYS 52 -18.413 16.486 3.093 366 H GLY 53 HN GLY 53 -14.496 14.368 7.151 367 HA2 GLY 53 HA1 GLY 53 -15.143 16.937 7.193 368 HA3 GLY 53 HA2 GLY 53 -13.983 16.258 8.317 369 H CYS 54 HN CYS 54 -11.754 15.735 6.677 370 HA CYS 54 HA CYS 54 -10.473 18.133 6.646 371 HB2 CYS 54 HB2 CYS 54 -9.801 15.499 6.076 372 HB3 CYS 54 HB3 CYS 54 -9.497 16.317 4.556 373 H HIS 55 HN HIS 55 -11.535 16.311 3.758 374 HA HIS 55 HA HIS 55 -11.194 18.220 1.783 375 HB2 HIS 55 HB2 HIS 55 -13.559 16.280 1.991 376 HB3 HIS 55 HB3 HIS 55 -12.833 16.987 0.485 377 HD1 HIS 55 HD1 HIS 55 -13.136 13.916 1.664 378 HD2 HIS 55 HD2 HIS 55 -9.672 16.161 1.008 379 HE1 HIS 55 HE1 HIS 55 -11.223 12.215 1.368 380 H GLU 56 HN GLU 56 -14.095 17.850 3.963 381 HA GLU 56 HA GLU 56 -15.552 19.878 2.799 382 HB2 GLU 56 HB2 GLU 56 -16.642 18.359 4.305 383 HB3 GLU 56 HB3 GLU 56 -15.519 18.711 5.604 384 HG2 GLU 56 HG2 GLU 56 -16.682 20.562 6.266 385 HG3 GLU 56 HG3 GLU 56 -16.868 21.144 4.623 386 HE2 GLU 56 HE2 GLU 56 -20.160 20.514 5.509 387 H GLU 57 HN GLU 57 -12.803 19.936 5.028 388 HA GLU 57 HA GLU 57 -13.268 22.721 5.610 389 HB2 GLU 57 HB2 GLU 57 -12.169 20.637 7.076 390 HB3 GLU 57 HB3 GLU 57 -10.736 21.492 6.541 391 HG2 GLU 57 HG2 GLU 57 -11.389 23.523 7.603 392 HG3 GLU 57 HG3 GLU 57 -13.069 23.038 7.715 393 HE2 GLU 57 HE2 GLU 57 -10.038 22.412 9.803 394 H MET 58 HN MET 58 -10.557 20.663 4.312 395 HA MET 58 HA MET 58 -9.007 22.753 3.459 396 HB2 MET 58 HB2 MET 58 -8.915 19.959 3.424 397 HB3 MET 58 HB3 MET 58 -9.019 20.325 1.713 398 HG2 MET 58 HG2 MET 58 -6.983 21.550 1.714 399 HG3 MET 58 HG3 MET 58 -7.041 21.844 3.440 400 HE1 MET 58 HE1 MET 58 -4.499 20.295 1.487 401 HE2 MET 58 HE2 MET 58 -4.551 21.300 2.955 402 HE3 MET 58 HE3 MET 58 -3.880 19.652 3.027 403 H LYS 59 HN LYS 59 -12.060 21.682 2.245 404 HA LYS 59 HA LYS 59 -13.307 22.329 0.543 405 HB2 LYS 59 HB2 LYS 59 -12.017 24.590 1.242 406 HB3 LYS 59 HB3 LYS 59 -11.438 24.443 -0.406 407 HG2 LYS 59 HG2 LYS 59 -14.180 23.852 -0.621 408 HG3 LYS 59 HG3 LYS 59 -14.133 25.133 0.574 409 HD2 LYS 59 HD2 LYS 59 -13.301 26.707 -0.925 410 HD3 LYS 59 HD3 LYS 59 -12.414 25.517 -1.857 411 HE2 LYS 59 HE2 LYS 59 -14.399 24.773 -3.005 412 HE3 LYS 59 HE3 LYS 59 -15.459 25.569 -1.859 413 HZ1 LYS 59 HZ1 LYS 59 -13.610 27.359 -3.182 414 HZ2 LYS 59 HZ2 LYS 59 -14.679 26.662 -4.194 415 H LYS 60 HN LYS 60 -10.641 20.604 0.348 416 HA LYS 60 HA LYS 60 -10.860 20.341 -2.562 417 HB2 LYS 60 HB2 LYS 60 -8.371 19.794 -2.529 418 HB3 LYS 60 HB3 LYS 60 -8.822 21.480 -2.375 419 HG2 LYS 60 HG2 LYS 60 -8.568 21.340 0.100 420 HG3 LYS 60 HG3 LYS 60 -8.169 19.638 -0.024 421 HD2 LYS 60 HD2 LYS 60 -6.069 20.797 0.148 422 HD3 LYS 60 HD3 LYS 60 -6.204 20.295 -1.526 423 HE2 LYS 60 HE2 LYS 60 -6.996 22.555 -2.174 424 HE3 LYS 60 HE3 LYS 60 -6.973 23.070 -0.499 425 HZ1 LYS 60 HZ1 LYS 60 -4.618 22.305 -2.133 426 HZ2 LYS 60 HZ2 LYS 60 -4.933 23.770 -1.495 427 H GLY 61 HN GLY 61 -11.231 18.276 -3.239 428 HA2 GLY 61 HA1 GLY 61 -10.598 15.926 -2.920 429 HA3 GLY 61 HA2 GLY 61 -10.901 16.146 -1.209 430 HA PRO 62 HA PRO 62 -14.887 14.960 -3.367 431 HB2 PRO 62 HB2 PRO 62 -14.788 12.236 -3.408 432 HB3 PRO 62 HB3 PRO 62 -13.982 13.233 -4.661 433 HG2 PRO 62 HG2 PRO 62 -12.485 11.715 -2.374 434 HG3 PRO 62 HG3 PRO 62 -12.327 12.249 -4.079 435 HD2 PRO 62 HD2 PRO 62 -11.537 13.625 -1.567 436 HD3 PRO 62 HD3 PRO 62 -11.132 14.055 -3.257 437 H THR 63 HN THR 63 -16.808 14.321 -2.181 438 HA THR 63 HA THR 63 -16.267 13.317 0.529 439 HB THR 63 HB THR 63 -17.726 15.022 1.445 440 HG1 THR 63 HG1 THR 63 -18.118 15.712 -1.382 441 HG21 THR 63 HG2 THR 63 -16.059 16.293 -0.791 442 H LYS 64 HN LYS 64 -17.597 12.673 -2.418 443 HA LYS 64 HA LYS 64 -20.150 11.727 -1.534 444 HB2 LYS 64 HB2 LYS 64 -20.209 12.386 -3.742 445 HB3 LYS 64 HB3 LYS 64 -18.610 11.767 -4.099 446 HG2 LYS 64 HG2 LYS 64 -19.376 9.501 -4.209 447 HG3 LYS 64 HG3 LYS 64 -20.871 9.872 -3.372 448 HD2 LYS 64 HD2 LYS 64 -20.446 11.399 -5.901 449 HD3 LYS 64 HD3 LYS 64 -20.629 9.669 -6.113 450 HE2 LYS 64 HE2 LYS 64 -22.872 10.211 -6.120 451 HE3 LYS 64 HE3 LYS 64 -22.678 10.067 -4.384 452 HZ1 LYS 64 HZ1 LYS 64 -22.028 12.680 -5.476 453 HZ2 LYS 64 HZ2 LYS 64 -23.603 12.275 -5.571 454 H CYS 65 HN CYS 65 -20.813 9.485 -1.422 455 HA CYS 65 HA CYS 65 -18.936 7.911 -0.063 456 HB2 CYS 65 HB2 CYS 65 -21.333 6.611 -1.233 457 HB3 CYS 65 HB3 CYS 65 -20.656 6.494 0.379 458 H GLY 66 HN GLY 66 -20.372 7.842 -3.390 459 HA2 GLY 66 HA1 GLY 66 -19.164 5.506 -4.308 460 HA3 GLY 66 HA2 GLY 66 -19.699 6.853 -5.291 461 H GLU 67 HN GLU 67 -17.776 8.621 -3.506 462 HA GLU 67 HA GLU 67 -15.623 8.408 -5.337 463 HB2 GLU 67 HB2 GLU 67 -16.110 10.184 -2.912 464 HB3 GLU 67 HB3 GLU 67 -14.683 10.321 -3.920 465 HG2 GLU 67 HG2 GLU 67 -17.501 10.449 -5.078 466 HG3 GLU 67 HG3 GLU 67 -16.670 11.876 -4.490 467 HE2 GLU 67 HE2 GLU 67 -15.775 12.839 -6.652 468 H CYS 68 HN CYS 68 -16.096 7.857 -1.791 469 HA CYS 68 HA CYS 68 -13.392 6.893 -1.559 470 HB2 CYS 68 HB2 CYS 68 -15.604 7.553 0.334 471 HB3 CYS 68 HB3 CYS 68 -14.444 6.346 0.854 472 H HIS 69 HN HIS 69 -16.747 5.739 -1.242 473 HA HIS 69 HA HIS 69 -15.904 2.916 -1.090 474 HB2 HIS 69 HB2 HIS 69 -18.634 4.316 -1.064 475 HB3 HIS 69 HB3 HIS 69 -18.386 2.525 -0.901 476 HD1 HIS 69 HD1 HIS 69 -17.245 1.726 1.270 477 HD2 HIS 69 HD2 HIS 69 -18.294 5.772 1.277 478 HE1 HIS 69 HE1 HIS 69 -17.162 2.486 3.730 479 H LYS 70 HN LYS 70 -16.147 1.360 -2.705 480 HA LYS 70 HA LYS 70 -17.373 2.179 -5.205 481 HB2 LYS 70 HB2 LYS 70 -15.033 2.913 -5.410 482 HB3 LYS 70 HB3 LYS 70 -14.478 1.295 -5.030 483 HG2 LYS 70 HG2 LYS 70 -14.801 0.597 -7.167 484 HG3 LYS 70 HG3 LYS 70 -16.456 1.173 -7.168 485 HD2 LYS 70 HD2 LYS 70 -14.654 3.453 -7.273 486 HD3 LYS 70 HD3 LYS 70 -14.204 2.310 -8.523 487 HE2 LYS 70 HE2 LYS 70 -16.684 2.227 -9.195 488 HE3 LYS 70 HE3 LYS 70 -16.955 3.559 -8.091 489 HZ1 LYS 70 HZ1 LYS 70 -15.311 4.859 -9.362 490 HZ2 LYS 70 HZ2 LYS 70 -15.082 3.622 -10.397 491 H LYS 71 HN LYS 71 -18.896 0.623 -5.419 492 HA LYS 71 HA LYS 71 -18.466 -1.976 -4.311 493 HB2 LYS 71 HB2 LYS 71 -20.723 -2.431 -5.139 494 HB3 LYS 71 HB3 LYS 71 -20.662 -0.932 -4.233 495 HG2 LYS 71 HG2 LYS 71 -20.130 -0.025 -6.794 496 HG3 LYS 71 HG3 LYS 71 -21.199 -1.373 -7.130 497 HD2 LYS 71 HD2 LYS 71 -22.096 0.354 -4.877 498 HD3 LYS 71 HD3 LYS 71 -22.033 1.174 -6.424 499 HE2 LYS 71 HE2 LYS 71 -24.036 0.226 -6.918 500 HE3 LYS 71 HE3 LYS 71 -23.212 -1.316 -7.033 501 HZ1 LYS 71 HZ1 LYS 71 -24.913 -0.343 -4.920 502 HZ2 LYS 71 HZ2 LYS 71 -24.548 -1.880 -5.315 Start of MODEL 5 1 H1 ALA 1 HN ALA 1 1.102 -0.700 -0.569 2 HA ALA 1 HA ALA 1 2.067 0.979 0.497 3 HB1 ALA 1 HB1 ALA 1 4.111 2.038 -0.739 4 HB2 ALA 1 HB2 ALA 1 4.183 0.320 -0.279 5 HB3 ALA 1 HB3 ALA 1 3.817 0.777 -1.960 6 H ASP 2 HN ASP 2 2.588 2.358 -2.798 7 HA ASP 2 HA ASP 2 1.809 4.842 -2.241 8 HB2 ASP 2 HB2 ASP 2 1.642 5.190 -4.571 9 HB3 ASP 2 HB3 ASP 2 2.678 3.781 -4.455 10 HD2 ASP 2 HD2 ASP 2 1.472 1.728 -4.667 11 H ASP 3 HN ASP 3 -0.187 1.947 -2.579 12 HA ASP 3 HA ASP 3 -2.554 3.634 -2.332 13 HB2 ASP 3 HB2 ASP 3 -3.776 1.611 -3.354 14 HB3 ASP 3 HB3 ASP 3 -2.774 2.549 -4.444 15 HD2 ASP 3 HD2 ASP 3 -1.852 1.235 -5.761 16 H ILE 4 HN ILE 4 -3.895 3.119 -0.545 17 HA ILE 4 HA ILE 4 -3.213 0.660 0.907 18 HB ILE 4 HB ILE 4 -3.960 3.280 2.199 19 HG12 ILE 4 HG1 ILE 4 -1.341 2.329 1.191 20 HG23 ILE 4 HG2 ILE 4 -4.439 1.229 3.481 21 HD11 ILE 4 HD1 ILE 4 -0.972 2.010 3.600 22 H VAL 5 HN VAL 5 -4.901 -0.714 0.824 23 HA VAL 5 HA VAL 5 -7.538 0.386 0.330 24 HB VAL 5 HB VAL 5 -6.402 -2.412 0.381 25 HG13 VAL 5 HG1 VAL 5 -8.490 -3.322 -0.114 26 HG21 VAL 5 HG2 VAL 5 -6.118 -2.237 -1.845 27 H LEU 6 HN LEU 6 -9.010 0.748 1.910 28 HA LEU 6 HA LEU 6 -8.345 -0.248 4.569 29 HB2 LEU 6 HB2 LEU 6 -10.346 1.836 3.685 30 HB3 LEU 6 HB3 LEU 6 -9.970 1.409 5.342 31 HG LEU 6 HG LEU 6 -7.800 2.392 3.501 32 HD13 LEU 6 HD1 LEU 6 -9.585 4.205 5.142 33 HD21 LEU 6 HD2 LEU 6 -7.177 1.396 5.667 34 H LYS 7 HN LYS 7 -8.921 -2.484 4.074 35 HA LYS 7 HA LYS 7 -11.090 -3.517 2.991 36 HB2 LYS 7 HB2 LYS 7 -9.531 -4.243 5.432 37 HB3 LYS 7 HB3 LYS 7 -11.026 -5.109 5.144 38 HG2 LYS 7 HG2 LYS 7 -10.255 -5.682 2.834 39 HG3 LYS 7 HG3 LYS 7 -8.763 -4.805 3.112 40 HD2 LYS 7 HD2 LYS 7 -9.399 -6.833 5.201 41 HD3 LYS 7 HD3 LYS 7 -9.118 -7.504 3.605 42 HE2 LYS 7 HE2 LYS 7 -7.213 -5.522 4.936 43 HE3 LYS 7 HE3 LYS 7 -7.035 -7.260 5.075 44 HZ1 LYS 7 HZ1 LYS 7 -6.537 -7.446 2.817 45 HZ2 LYS 7 HZ2 LYS 7 -7.261 -6.051 2.395 46 H ALA 8 HN ALA 8 -13.196 -2.968 2.972 47 HA ALA 8 HA ALA 8 -14.328 -2.005 5.510 48 HB1 ALA 8 HB1 ALA 8 -15.103 -0.224 4.382 49 HB2 ALA 8 HB2 ALA 8 -14.190 -0.773 2.956 50 HB3 ALA 8 HB3 ALA 8 -15.882 -1.280 3.180 51 H LYS 9 HN LYS 9 -16.719 -2.502 5.742 52 HA LYS 9 HA LYS 9 -17.144 -5.240 4.827 53 HB2 LYS 9 HB2 LYS 9 -17.185 -4.719 7.268 54 HB3 LYS 9 HB3 LYS 9 -18.570 -3.679 7.000 55 HG2 LYS 9 HG2 LYS 9 -19.990 -5.451 6.936 56 HG3 LYS 9 HG3 LYS 9 -19.019 -6.266 5.727 57 HD2 LYS 9 HD2 LYS 9 -17.577 -6.399 8.218 58 HD3 LYS 9 HD3 LYS 9 -19.238 -6.854 8.549 59 HE2 LYS 9 HE2 LYS 9 -18.257 -8.073 6.053 60 HE3 LYS 9 HE3 LYS 9 -17.246 -8.499 7.421 61 HZ1 LYS 9 HZ1 LYS 9 -19.100 -10.042 7.220 62 HZ2 LYS 9 HZ2 LYS 9 -19.279 -9.204 8.605 63 H ASN 10 HN ASN 10 -17.641 -2.292 3.565 64 HA ASN 10 HA ASN 10 -19.983 -3.220 2.198 65 HB2 ASN 10 HB2 ASN 10 -19.913 -0.560 3.716 66 HB3 ASN 10 HB3 ASN 10 -21.118 -0.942 2.503 67 HD21 ASN 10 HD2 ASN 10 -21.755 -1.966 6.268 68 H GLY 11 HN GLY 11 -17.483 -3.136 1.112 69 HA2 GLY 11 HA1 GLY 11 -16.832 -2.327 -0.998 70 HA3 GLY 11 HA2 GLY 11 -17.578 -0.781 -0.646 71 H ASP 12 HN ASP 12 -14.649 -2.057 -1.187 72 HA ASP 12 HA ASP 12 -13.212 -1.171 1.067 73 HB2 ASP 12 HB2 ASP 12 -11.291 -1.861 -0.121 74 HB3 ASP 12 HB3 ASP 12 -12.544 -2.910 -0.755 75 HD2 ASP 12 HD2 ASP 12 -12.413 -1.538 -3.937 76 H VAL 13 HN VAL 13 -11.441 0.606 0.824 77 HA VAL 13 HA VAL 13 -12.457 2.772 -0.883 78 HB VAL 13 HB VAL 13 -11.333 2.826 1.917 79 HG13 VAL 13 HG1 VAL 13 -12.153 5.425 1.133 80 HG21 VAL 13 HG2 VAL 13 -13.569 4.237 2.113 81 H LYS 14 HN LYS 14 -11.075 3.289 -2.491 82 HA LYS 14 HA LYS 14 -8.350 2.343 -2.303 83 HB2 LYS 14 HB2 LYS 14 -9.333 1.883 -4.378 84 HB3 LYS 14 HB3 LYS 14 -10.084 3.462 -4.495 85 HG2 LYS 14 HG2 LYS 14 -8.173 3.418 -6.005 86 HG3 LYS 14 HG3 LYS 14 -7.799 4.508 -4.684 87 HD2 LYS 14 HD2 LYS 14 -6.759 2.309 -3.573 88 HD3 LYS 14 HD3 LYS 14 -6.704 1.742 -5.229 89 HE2 LYS 14 HE2 LYS 14 -4.808 2.939 -5.560 90 HE3 LYS 14 HE3 LYS 14 -5.709 4.417 -5.294 91 HZ1 LYS 14 HZ1 LYS 14 -4.824 4.620 -3.239 92 HZ2 LYS 14 HZ2 LYS 14 -5.064 3.059 -2.841 93 H PHE 15 HN PHE 15 -7.347 3.622 -0.722 94 HA PHE 15 HA PHE 15 -7.343 6.498 -1.295 95 HB2 PHE 15 HB2 PHE 15 -8.126 5.641 0.973 96 HB3 PHE 15 HB3 PHE 15 -6.587 4.830 1.182 97 HD1 PHE 15 HD1 PHE 15 -7.749 8.275 0.288 98 HD2 PHE 15 HD2 PHE 15 -5.125 5.878 2.606 99 HE1 PHE 15 HE1 PHE 15 -6.805 10.341 1.356 100 HE2 PHE 15 HE2 PHE 15 -4.180 7.943 3.674 101 HZ PHE 15 HZ PHE 15 -5.032 10.150 3.036 102 HA PRO 16 HA PRO 16 -3.122 5.726 -2.515 103 HB2 PRO 16 HB2 PRO 16 -2.821 8.039 -3.934 104 HB3 PRO 16 HB3 PRO 16 -3.837 6.684 -4.526 105 HG2 PRO 16 HG2 PRO 16 -5.006 9.381 -3.337 106 HG3 PRO 16 HG3 PRO 16 -5.166 8.078 -4.560 107 HD2 PRO 16 HD2 PRO 16 -6.221 8.240 -1.783 108 HD3 PRO 16 HD3 PRO 16 -6.634 7.072 -3.076 109 H HIS 17 HN HIS 17 -1.981 5.856 -0.616 110 HA HIS 17 HA HIS 17 -1.889 8.210 1.050 111 HB2 HIS 17 HB2 HIS 17 -1.557 5.825 1.770 112 HB3 HIS 17 HB3 HIS 17 0.044 5.832 0.912 113 HD1 HIS 17 HD1 HIS 17 1.952 6.956 2.048 114 HD2 HIS 17 HD2 HIS 17 -1.609 7.308 4.207 115 HE1 HIS 17 HE1 HIS 17 2.610 7.833 4.381 116 H LYS 18 HN LYS 18 0.480 6.780 -1.343 117 HA LYS 18 HA LYS 18 2.456 8.649 -1.070 118 HB2 LYS 18 HB2 LYS 18 3.048 6.868 -2.391 119 HB3 LYS 18 HB3 LYS 18 1.527 6.845 -3.261 120 HG2 LYS 18 HG2 LYS 18 2.148 8.788 -4.582 121 HG3 LYS 18 HG3 LYS 18 3.534 9.120 -3.564 122 HD2 LYS 18 HD2 LYS 18 3.737 6.396 -4.536 123 HD3 LYS 18 HD3 LYS 18 3.413 7.450 -5.898 124 HE2 LYS 18 HE2 LYS 18 5.484 8.359 -3.906 125 HE3 LYS 18 HE3 LYS 18 5.917 7.038 -4.971 126 HZ1 LYS 18 HZ1 LYS 18 6.223 9.527 -5.724 127 HZ2 LYS 18 HZ2 LYS 18 5.794 8.396 -6.814 128 H ALA 19 HN ALA 19 -0.762 8.977 -2.478 129 HA ALA 19 HA ALA 19 -0.127 11.366 -3.920 130 HB1 ALA 19 HB1 ALA 19 -2.703 11.440 -4.037 131 HB2 ALA 19 HB2 ALA 19 -1.894 10.047 -4.793 132 HB3 ALA 19 HB3 ALA 19 -2.664 9.872 -3.198 133 H HIS 20 HN HIS 20 -1.597 10.457 -0.837 134 HA HIS 20 HA HIS 20 -2.097 13.250 -0.057 135 HB2 HIS 20 HB2 HIS 20 -2.571 10.488 1.117 136 HB3 HIS 20 HB3 HIS 20 -2.650 11.953 2.188 137 HD1 HIS 20 HD1 HIS 20 -4.217 10.665 -1.014 138 HD2 HIS 20 HD2 HIS 20 -5.117 13.114 2.252 139 HE1 HIS 20 HE1 HIS 20 -6.692 11.333 -1.277 140 H GLN 21 HN GLN 21 0.733 12.042 -0.644 141 HA GLN 21 HA GLN 21 1.880 12.683 1.955 142 HB2 GLN 21 HB2 GLN 21 2.353 10.479 0.436 143 HB3 GLN 21 HB3 GLN 21 3.584 11.536 -0.226 144 HG2 GLN 21 HG2 GLN 21 3.237 10.692 2.682 145 HG3 GLN 21 HG3 GLN 21 4.588 10.337 1.625 146 HE21 GLN 21 HE2 GLN 21 4.861 13.420 4.035 147 H LYS 22 HN LYS 22 1.950 13.407 -1.564 148 HA LYS 22 HA LYS 22 3.836 15.572 -1.062 149 HB2 LYS 22 HB2 LYS 22 3.866 13.777 -3.024 150 HB3 LYS 22 HB3 LYS 22 2.774 14.917 -3.783 151 HG2 LYS 22 HG2 LYS 22 4.420 16.746 -3.485 152 HG3 LYS 22 HG3 LYS 22 5.496 15.670 -2.617 153 HD2 LYS 22 HD2 LYS 22 4.579 15.102 -5.469 154 HD3 LYS 22 HD3 LYS 22 6.011 16.051 -5.120 155 HE2 LYS 22 HE2 LYS 22 5.775 13.402 -3.716 156 HE3 LYS 22 HE3 LYS 22 6.078 13.353 -5.441 157 HZ1 LYS 22 HZ1 LYS 22 8.072 14.588 -5.158 158 HZ2 LYS 22 HZ2 LYS 22 7.716 15.033 -3.631 159 H ALA 23 HN ALA 23 0.837 15.350 -0.238 160 HA ALA 23 HA ALA 23 0.013 17.845 -1.559 161 HB1 ALA 23 HB1 ALA 23 -2.139 17.053 -1.701 162 HB2 ALA 23 HB2 ALA 23 -1.285 15.493 -1.764 163 HB3 ALA 23 HB3 ALA 23 -1.987 16.061 -0.231 164 H VAL 24 HN VAL 24 1.399 16.595 1.190 165 HA VAL 24 HA VAL 24 0.131 18.673 2.833 166 HB VAL 24 HB VAL 24 1.183 16.091 3.958 167 HG13 VAL 24 HG1 VAL 24 -0.851 18.120 4.947 168 HG21 VAL 24 HG2 VAL 24 -1.520 15.720 4.008 169 HA PRO 25 HA PRO 25 4.084 20.578 2.781 170 HB2 PRO 25 HB2 PRO 25 3.211 21.240 5.612 171 HB3 PRO 25 HB3 PRO 25 3.860 22.293 4.314 172 HG2 PRO 25 HG2 PRO 25 1.298 22.101 4.973 173 HG3 PRO 25 HG3 PRO 25 1.788 22.578 3.314 174 HD2 PRO 25 HD2 PRO 25 0.489 20.088 4.277 175 HD3 PRO 25 HD3 PRO 25 0.740 20.642 2.594 176 H ASP 26 HN ASP 26 3.324 19.404 6.161 177 HA ASP 26 HA ASP 26 5.529 17.557 5.845 178 HB2 ASP 26 HB2 ASP 26 6.393 19.688 6.891 179 HB3 ASP 26 HB3 ASP 26 5.236 19.490 8.192 180 HD2 ASP 26 HD2 ASP 26 7.117 19.393 9.612 181 H CYS 27 HN CYS 27 2.858 16.816 5.773 182 HA CYS 27 HA CYS 27 1.166 15.830 6.824 183 HB2 CYS 27 HB2 CYS 27 3.246 14.394 8.454 184 HB3 CYS 27 HB3 CYS 27 1.730 13.784 7.824 185 H LYS 28 HN LYS 28 1.760 14.667 9.724 186 HA LYS 28 HA LYS 28 1.474 15.274 11.832 187 HB2 LYS 28 HB2 LYS 28 3.373 16.801 11.489 188 HB3 LYS 28 HB3 LYS 28 2.285 18.053 10.924 189 HG2 LYS 28 HG2 LYS 28 1.240 18.279 13.075 190 HG3 LYS 28 HG3 LYS 28 1.893 16.756 13.647 191 HD2 LYS 28 HD2 LYS 28 3.856 18.877 12.793 192 HD3 LYS 28 HD3 LYS 28 3.005 19.124 14.305 193 HE2 LYS 28 HE2 LYS 28 4.366 16.470 13.710 194 HE3 LYS 28 HE3 LYS 28 5.283 17.821 14.347 195 HZ1 LYS 28 HZ1 LYS 28 4.563 16.879 16.295 196 HZ2 LYS 28 HZ2 LYS 28 3.270 17.839 16.057 197 H LYS 29 HN LYS 29 -0.440 15.964 9.293 198 HA LYS 29 HA LYS 29 -2.387 17.503 10.837 199 HB2 LYS 29 HB2 LYS 29 -1.633 18.101 8.436 200 HB3 LYS 29 HB3 LYS 29 -2.619 16.746 7.926 201 HG2 LYS 29 HG2 LYS 29 -4.621 17.726 8.928 202 HG3 LYS 29 HG3 LYS 29 -3.681 18.985 9.705 203 HD2 LYS 29 HD2 LYS 29 -3.725 18.644 6.677 204 HD3 LYS 29 HD3 LYS 29 -4.916 19.617 7.516 205 HE2 LYS 29 HE2 LYS 29 -2.257 20.319 8.472 206 HE3 LYS 29 HE3 LYS 29 -2.280 20.390 6.722 207 HZ1 LYS 29 HZ1 LYS 29 -3.119 22.455 7.246 208 HZ2 LYS 29 HZ2 LYS 29 -4.535 21.654 7.186 209 H CYS 30 HN CYS 30 -1.439 14.332 10.414 210 HA CYS 30 HA CYS 30 -4.137 13.443 11.052 211 HB2 CYS 30 HB2 CYS 30 -2.470 11.728 9.231 212 HB3 CYS 30 HB3 CYS 30 -4.202 11.714 9.495 213 H HIS 31 HN HIS 31 -0.691 12.626 10.664 214 HA HIS 31 HA HIS 31 -0.779 10.700 12.906 215 HB2 HIS 31 HB2 HIS 31 1.560 11.608 11.138 216 HB3 HIS 31 HB3 HIS 31 1.513 10.175 12.252 217 HD1 HIS 31 HD1 HIS 31 -1.083 8.910 11.407 218 HD2 HIS 31 HD2 HIS 31 1.700 10.426 8.681 219 HE1 HIS 31 HE1 HIS 31 -1.499 7.665 9.188 220 H GLU 32 HN GLU 32 -1.560 12.932 14.083 221 HA GLU 32 HA GLU 32 0.481 14.690 14.811 222 HB2 GLU 32 HB2 GLU 32 -2.216 14.030 16.058 223 HB3 GLU 32 HB3 GLU 32 -1.172 15.285 16.695 224 HG2 GLU 32 HG2 GLU 32 -1.190 15.902 13.988 225 HG3 GLU 32 HG3 GLU 32 -2.807 15.266 14.211 226 HE2 GLU 32 HE2 GLU 32 -4.118 17.760 15.173 227 H LYS 33 HN LYS 33 1.992 12.620 15.135 228 HA LYS 33 HA LYS 33 2.872 12.587 17.693 229 HB2 LYS 33 HB2 LYS 33 1.171 11.572 18.794 230 HB3 LYS 33 HB3 LYS 33 0.550 10.783 17.360 231 HG2 LYS 33 HG2 LYS 33 1.961 8.937 17.580 232 HG3 LYS 33 HG3 LYS 33 3.234 9.860 18.354 233 HD2 LYS 33 HD2 LYS 33 2.254 9.714 20.479 234 HD3 LYS 33 HD3 LYS 33 0.629 9.561 19.841 235 HE2 LYS 33 HE2 LYS 33 0.755 7.289 19.840 236 HE3 LYS 33 HE3 LYS 33 2.264 7.309 18.951 237 HZ1 LYS 33 HZ1 LYS 33 2.899 6.424 20.985 238 HZ2 LYS 33 HZ2 LYS 33 3.240 7.993 21.257 239 H GLY 34 HN GLY 34 2.053 9.854 15.437 240 HA2 GLY 34 HA1 GLY 34 4.647 9.851 14.258 241 HA3 GLY 34 HA2 GLY 34 4.515 8.617 15.497 242 HA PRO 35 HA PRO 35 2.689 7.444 11.188 243 HB2 PRO 35 HB2 PRO 35 4.602 5.498 10.667 244 HB3 PRO 35 HB3 PRO 35 4.737 7.211 10.148 245 HG2 PRO 35 HG2 PRO 35 5.829 5.954 12.712 246 HG3 PRO 35 HG3 PRO 35 6.892 6.917 11.634 247 HD2 PRO 35 HD2 PRO 35 5.833 8.212 13.644 248 HD3 PRO 35 HD3 PRO 35 5.485 8.906 12.032 249 H GLY 36 HN GLY 36 2.917 4.597 10.733 250 HA2 GLY 36 HA1 GLY 36 2.321 2.576 11.584 251 HA3 GLY 36 HA2 GLY 36 2.395 3.226 13.209 252 H LYS 37 HN LYS 37 0.317 1.561 12.778 253 HA LYS 37 HA LYS 37 -1.967 2.576 11.617 254 HB2 LYS 37 HB2 LYS 37 -3.145 0.907 12.859 255 HB3 LYS 37 HB3 LYS 37 -1.595 0.238 12.391 256 HG2 LYS 37 HG2 LYS 37 -1.018 -0.102 14.559 257 HG3 LYS 37 HG3 LYS 37 -1.304 1.582 14.950 258 HD2 LYS 37 HD2 LYS 37 -3.735 1.128 15.231 259 HD3 LYS 37 HD3 LYS 37 -3.489 -0.547 14.779 260 HE2 LYS 37 HE2 LYS 37 -2.242 -1.030 16.768 261 HE3 LYS 37 HE3 LYS 37 -1.951 0.666 17.104 262 HZ1 LYS 37 HZ1 LYS 37 -4.743 0.184 16.992 263 HZ2 LYS 37 HZ2 LYS 37 -4.067 -0.863 18.041 264 H ILE 38 HN ILE 38 -3.568 4.007 12.212 265 HA ILE 38 HA ILE 38 -2.927 5.636 14.538 266 HB ILE 38 HB ILE 38 -4.709 6.034 12.142 267 HG12 ILE 38 HG1 ILE 38 -3.018 8.133 12.179 268 HG23 ILE 38 HG2 ILE 38 -4.708 7.412 14.765 269 HD11 ILE 38 HD1 ILE 38 -3.077 6.969 10.165 270 H GLU 39 HN GLU 39 -3.933 5.324 16.446 271 HA GLU 39 HA GLU 39 -6.093 3.474 16.530 272 HB2 GLU 39 HB2 GLU 39 -4.336 4.881 18.503 273 HB3 GLU 39 HB3 GLU 39 -5.920 4.409 19.086 274 HG2 GLU 39 HG2 GLU 39 -4.719 2.242 17.525 275 HG3 GLU 39 HG3 GLU 39 -3.635 2.747 18.807 276 HE2 GLU 39 HE2 GLU 39 -6.491 0.748 18.472 277 H GLY 40 HN GLY 40 -8.178 3.975 17.712 278 HA2 GLY 40 HA1 GLY 40 -9.832 5.450 18.388 279 HA3 GLY 40 HA2 GLY 40 -8.948 6.794 17.694 280 H PHE 41 HN PHE 41 -8.421 5.901 15.072 281 HA PHE 41 HA PHE 41 -10.414 6.700 13.586 282 HB2 PHE 41 HB2 PHE 41 -8.133 5.645 12.946 283 HB3 PHE 41 HB3 PHE 41 -8.895 4.072 13.083 284 HD1 PHE 41 HD1 PHE 41 -11.206 3.929 11.676 285 HD2 PHE 41 HD2 PHE 41 -7.942 6.505 10.825 286 HE1 PHE 41 HE1 PHE 41 -11.949 4.081 9.283 287 HE2 PHE 41 HE2 PHE 41 -8.685 6.656 8.431 288 HZ PHE 41 HZ PHE 41 -10.679 5.441 7.689 289 H GLY 42 HN GLY 42 -12.322 5.923 12.549 290 HA2 GLY 42 HA1 GLY 42 -13.294 3.273 13.013 291 HA3 GLY 42 HA2 GLY 42 -14.079 4.447 14.050 292 H LYS 43 HN LYS 43 -15.790 3.267 12.383 293 HA LYS 43 HA LYS 43 -15.932 4.329 9.792 294 HB2 LYS 43 HB2 LYS 43 -18.256 3.328 11.450 295 HB3 LYS 43 HB3 LYS 43 -18.101 3.333 9.705 296 HG2 LYS 43 HG2 LYS 43 -16.497 1.658 11.686 297 HG3 LYS 43 HG3 LYS 43 -17.646 1.075 10.498 298 HD2 LYS 43 HD2 LYS 43 -15.906 0.817 9.064 299 HD3 LYS 43 HD3 LYS 43 -15.812 2.565 8.966 300 HE2 LYS 43 HE2 LYS 43 -13.643 1.346 9.635 301 HE3 LYS 43 HE3 LYS 43 -14.116 2.693 10.650 302 HZ1 LYS 43 HZ1 LYS 43 -14.145 -0.155 11.281 303 HZ2 LYS 43 HZ2 LYS 43 -13.812 1.108 12.255 304 H GLU 44 HN GLU 44 -16.586 5.671 12.945 305 HA GLU 44 HA GLU 44 -18.355 7.660 11.868 306 HB2 GLU 44 HB2 GLU 44 -18.726 6.707 14.140 307 HB3 GLU 44 HB3 GLU 44 -17.178 7.340 14.664 308 HG2 GLU 44 HG2 GLU 44 -19.349 8.734 15.160 309 HG3 GLU 44 HG3 GLU 44 -17.910 9.575 14.619 310 HE2 GLU 44 HE2 GLU 44 -20.366 7.765 12.961 311 H MET 45 HN MET 45 -14.964 7.293 12.969 312 HA MET 45 HA MET 45 -14.395 10.035 12.942 313 HB2 MET 45 HB2 MET 45 -13.119 7.662 13.712 314 HB3 MET 45 HB3 MET 45 -12.169 8.145 12.321 315 HG2 MET 45 HG2 MET 45 -11.040 9.477 13.803 316 HG3 MET 45 HG3 MET 45 -12.408 10.561 13.639 317 HE1 MET 45 HE1 MET 45 -14.390 10.785 15.569 318 HE2 MET 45 HE2 MET 45 -13.472 10.982 17.082 319 HE3 MET 45 HE3 MET 45 -12.847 11.673 15.565 320 H ALA 46 HN ALA 46 -14.138 7.401 10.501 321 HA ALA 46 HA ALA 46 -12.620 8.632 8.597 322 HB1 ALA 46 HB1 ALA 46 -14.448 6.416 8.810 323 HB2 ALA 46 HB2 ALA 46 -14.753 7.272 7.279 324 HB3 ALA 46 HB3 ALA 46 -13.123 6.661 7.648 325 H HIS 47 HN HIS 47 -16.186 8.639 8.758 326 HA HIS 47 HA HIS 47 -16.478 10.749 6.802 327 HB2 HIS 47 HB2 HIS 47 -18.535 9.802 8.863 328 HB3 HIS 47 HB3 HIS 47 -18.826 10.564 7.240 329 HD1 HIS 47 HD1 HIS 47 -19.403 7.572 8.704 330 HD2 HIS 47 HD2 HIS 47 -17.265 8.557 5.251 331 HE1 HIS 47 HE1 HIS 47 -19.355 5.440 7.256 332 H GLY 48 HN GLY 48 -15.387 10.793 10.036 333 HA2 GLY 48 HA1 GLY 48 -16.627 13.192 10.944 334 HA3 GLY 48 HA2 GLY 48 -15.210 12.403 11.608 335 H LYS 49 HN LYS 49 -13.310 13.510 11.456 336 HA LYS 49 HA LYS 49 -12.995 15.296 9.153 337 HB2 LYS 49 HB2 LYS 49 -12.081 17.028 10.550 338 HB3 LYS 49 HB3 LYS 49 -13.679 16.610 11.133 339 HG2 LYS 49 HG2 LYS 49 -11.107 15.447 12.298 340 HG3 LYS 49 HG3 LYS 49 -11.907 16.864 12.950 341 HD2 LYS 49 HD2 LYS 49 -13.974 14.949 12.701 342 HD3 LYS 49 HD3 LYS 49 -12.598 14.027 13.274 343 HE2 LYS 49 HE2 LYS 49 -12.615 15.037 15.335 344 HE3 LYS 49 HE3 LYS 49 -12.913 16.628 14.664 345 HZ1 LYS 49 HZ1 LYS 49 -14.815 14.740 15.679 346 HZ2 LYS 49 HZ2 LYS 49 -14.999 16.339 15.431 347 H GLY 50 HN GLY 50 -12.119 12.634 9.208 348 HA2 GLY 50 HA1 GLY 50 -9.208 13.058 9.329 349 HA3 GLY 50 HA2 GLY 50 -9.919 11.670 10.127 350 H CYS 51 HN CYS 51 -11.722 12.661 7.343 351 HA CYS 51 HA CYS 51 -10.161 11.188 5.456 352 HB2 CYS 51 HB2 CYS 51 -11.624 9.549 6.957 353 HB3 CYS 51 HB3 CYS 51 -12.887 10.039 5.846 354 H LYS 52 HN LYS 52 -13.561 12.237 6.253 355 HA LYS 52 HA LYS 52 -13.712 13.442 3.597 356 HB2 LYS 52 HB2 LYS 52 -15.462 11.795 4.646 357 HB3 LYS 52 HB3 LYS 52 -16.020 13.213 5.511 358 HG2 LYS 52 HG2 LYS 52 -15.709 14.166 2.896 359 HG3 LYS 52 HG3 LYS 52 -16.294 12.533 2.646 360 HD2 LYS 52 HD2 LYS 52 -18.302 13.744 2.842 361 HD3 LYS 52 HD3 LYS 52 -18.092 13.123 4.468 362 HE2 LYS 52 HE2 LYS 52 -16.906 15.326 5.050 363 HE3 LYS 52 HE3 LYS 52 -17.398 15.927 3.479 364 HZ1 LYS 52 HZ1 LYS 52 -18.938 15.872 5.790 365 HZ2 LYS 52 HZ2 LYS 52 -19.432 16.330 4.307 366 H GLY 53 HN GLY 53 -14.872 14.294 6.938 367 HA2 GLY 53 HA1 GLY 53 -15.384 16.833 6.901 368 HA3 GLY 53 HA2 GLY 53 -14.299 16.199 8.122 369 H CYS 54 HN CYS 54 -11.946 15.659 6.728 370 HA CYS 54 HA CYS 54 -10.652 18.014 6.701 371 HB2 CYS 54 HB2 CYS 54 -9.991 15.377 6.134 372 HB3 CYS 54 HB3 CYS 54 -9.607 16.207 4.639 373 H HIS 55 HN HIS 55 -11.620 16.235 3.754 374 HA HIS 55 HA HIS 55 -11.173 18.206 1.836 375 HB2 HIS 55 HB2 HIS 55 -13.509 16.222 1.823 376 HB3 HIS 55 HB3 HIS 55 -12.643 16.947 0.400 377 HD1 HIS 55 HD1 HIS 55 -12.989 13.890 1.887 378 HD2 HIS 55 HD2 HIS 55 -9.601 16.102 0.841 379 HE1 HIS 55 HE1 HIS 55 -11.062 12.193 1.669 380 H GLU 56 HN GLU 56 -14.134 17.734 3.899 381 HA GLU 56 HA GLU 56 -15.622 19.712 2.678 382 HB2 GLU 56 HB2 GLU 56 -16.688 18.127 4.153 383 HB3 GLU 56 HB3 GLU 56 -15.653 18.569 5.496 384 HG2 GLU 56 HG2 GLU 56 -16.652 20.874 5.492 385 HG3 GLU 56 HG3 GLU 56 -17.702 20.407 4.169 386 HE2 GLU 56 HE2 GLU 56 -17.834 20.860 7.256 387 H GLU 57 HN GLU 57 -12.788 19.915 4.659 388 HA GLU 57 HA GLU 57 -13.406 22.691 5.278 389 HB2 GLU 57 HB2 GLU 57 -12.147 20.568 6.777 390 HB3 GLU 57 HB3 GLU 57 -10.969 21.844 6.541 391 HG2 GLU 57 HG2 GLU 57 -13.205 23.328 7.188 392 HG3 GLU 57 HG3 GLU 57 -13.506 21.870 8.113 393 HE2 GLU 57 HE2 GLU 57 -11.612 21.364 9.748 394 H MET 58 HN MET 58 -10.738 20.519 4.113 395 HA MET 58 HA MET 58 -9.026 22.545 3.379 396 HB2 MET 58 HB2 MET 58 -9.073 19.744 3.333 397 HB3 MET 58 HB3 MET 58 -9.049 20.129 1.623 398 HG2 MET 58 HG2 MET 58 -6.805 20.440 1.804 399 HG3 MET 58 HG3 MET 58 -7.138 21.884 2.739 400 HE1 MET 58 HE1 MET 58 -4.389 19.206 4.320 401 HE2 MET 58 HE2 MET 58 -5.187 18.659 2.826 402 HE3 MET 58 HE3 MET 58 -4.581 20.327 2.951 403 H LYS 59 HN LYS 59 -12.042 21.555 1.973 404 HA LYS 59 HA LYS 59 -13.170 22.270 0.215 405 HB2 LYS 59 HB2 LYS 59 -11.372 24.438 0.794 406 HB3 LYS 59 HB3 LYS 59 -11.570 24.315 -0.942 407 HG2 LYS 59 HG2 LYS 59 -13.907 24.654 -0.844 408 HG3 LYS 59 HG3 LYS 59 -14.021 24.118 0.821 409 HD2 LYS 59 HD2 LYS 59 -12.471 26.632 0.093 410 HD3 LYS 59 HD3 LYS 59 -14.207 26.682 0.326 411 HE2 LYS 59 HE2 LYS 59 -14.063 26.266 2.615 412 HE3 LYS 59 HE3 LYS 59 -12.611 25.297 2.462 413 HZ1 LYS 59 HZ1 LYS 59 -12.656 27.888 3.265 414 HZ2 LYS 59 HZ2 LYS 59 -11.325 27.123 2.720 415 H LYS 60 HN LYS 60 -10.634 20.397 0.162 416 HA LYS 60 HA LYS 60 -10.714 20.122 -2.744 417 HB2 LYS 60 HB2 LYS 60 -8.197 19.533 -2.553 418 HB3 LYS 60 HB3 LYS 60 -8.680 21.215 -2.630 419 HG2 LYS 60 HG2 LYS 60 -8.719 21.118 -0.012 420 HG3 LYS 60 HG3 LYS 60 -7.816 19.627 -0.186 421 HD2 LYS 60 HD2 LYS 60 -6.942 22.231 -1.512 422 HD3 LYS 60 HD3 LYS 60 -6.425 21.779 0.100 423 HE2 LYS 60 HE2 LYS 60 -4.860 20.348 -0.720 424 HE3 LYS 60 HE3 LYS 60 -6.048 19.526 -1.714 425 HZ1 LYS 60 HZ1 LYS 60 -4.070 21.227 -2.615 426 HZ2 LYS 60 HZ2 LYS 60 -5.290 20.622 -3.508 427 H GLY 61 HN GLY 61 -11.075 18.043 -3.379 428 HA2 GLY 61 HA1 GLY 61 -10.412 15.702 -2.968 429 HA3 GLY 61 HA2 GLY 61 -10.815 15.968 -1.284 430 HA PRO 62 HA PRO 62 -14.674 14.718 -3.618 431 HB2 PRO 62 HB2 PRO 62 -14.537 11.999 -3.719 432 HB3 PRO 62 HB3 PRO 62 -13.677 13.032 -4.907 433 HG2 PRO 62 HG2 PRO 62 -12.239 11.477 -2.543 434 HG3 PRO 62 HG3 PRO 62 -12.069 12.055 -4.233 435 HD2 PRO 62 HD2 PRO 62 -11.407 13.409 -1.657 436 HD3 PRO 62 HD3 PRO 62 -10.906 13.843 -3.320 437 H THR 63 HN THR 63 -16.615 14.186 -2.474 438 HA THR 63 HA THR 63 -16.156 13.162 0.251 439 HB THR 63 HB THR 63 -17.965 14.711 0.953 440 HG1 THR 63 HG1 THR 63 -19.126 14.683 -1.088 441 HG21 THR 63 HG2 THR 63 -15.462 15.638 -0.253 442 H LYS 64 HN LYS 64 -17.742 12.802 -2.811 443 HA LYS 64 HA LYS 64 -20.067 11.508 -1.988 444 HB2 LYS 64 HB2 LYS 64 -19.941 12.262 -4.218 445 HB3 LYS 64 HB3 LYS 64 -18.416 11.450 -4.512 446 HG2 LYS 64 HG2 LYS 64 -19.412 9.388 -4.857 447 HG3 LYS 64 HG3 LYS 64 -20.668 9.671 -3.668 448 HD2 LYS 64 HD2 LYS 64 -20.813 11.463 -6.042 449 HD3 LYS 64 HD3 LYS 64 -21.040 9.765 -6.411 450 HE2 LYS 64 HE2 LYS 64 -23.234 10.551 -5.918 451 HE3 LYS 64 HE3 LYS 64 -22.744 9.713 -4.460 452 HZ1 LYS 64 HZ1 LYS 64 -23.031 11.629 -3.355 453 HZ2 LYS 64 HZ2 LYS 64 -21.881 12.369 -4.238 454 H CYS 65 HN CYS 65 -20.600 9.261 -1.796 455 HA CYS 65 HA CYS 65 -18.663 7.802 -0.406 456 HB2 CYS 65 HB2 CYS 65 -20.934 6.314 -1.577 457 HB3 CYS 65 HB3 CYS 65 -20.322 6.342 0.064 458 H GLY 66 HN GLY 66 -20.268 7.206 -3.627 459 HA2 GLY 66 HA1 GLY 66 -18.851 5.068 -4.513 460 HA3 GLY 66 HA2 GLY 66 -19.438 6.357 -5.546 461 H GLU 67 HN GLU 67 -17.672 8.369 -3.991 462 HA GLU 67 HA GLU 67 -15.443 8.060 -5.712 463 HB2 GLU 67 HB2 GLU 67 -16.124 10.099 -3.553 464 HB3 GLU 67 HB3 GLU 67 -14.676 10.198 -4.535 465 HG2 GLU 67 HG2 GLU 67 -17.492 10.050 -5.706 466 HG3 GLU 67 HG3 GLU 67 -16.657 11.559 -5.394 467 HE2 GLU 67 HE2 GLU 67 -15.665 11.841 -8.171 468 H CYS 68 HN CYS 68 -16.166 7.551 -2.250 469 HA CYS 68 HA CYS 68 -13.367 6.978 -1.739 470 HB2 CYS 68 HB2 CYS 68 -15.720 7.676 -0.075 471 HB3 CYS 68 HB3 CYS 68 -14.627 6.502 0.633 472 H HIS 69 HN HIS 69 -16.624 5.555 -1.504 473 HA HIS 69 HA HIS 69 -15.501 2.827 -1.180 474 HB2 HIS 69 HB2 HIS 69 -18.362 3.936 -1.115 475 HB3 HIS 69 HB3 HIS 69 -17.902 2.202 -0.833 476 HD1 HIS 69 HD1 HIS 69 -16.174 1.930 1.248 477 HD2 HIS 69 HD2 HIS 69 -18.547 5.371 1.190 478 HE1 HIS 69 HE1 HIS 69 -16.201 2.826 3.665 479 H LYS 70 HN LYS 70 -16.151 1.046 -2.608 480 HA LYS 70 HA LYS 70 -16.995 1.954 -5.262 481 HB2 LYS 70 HB2 LYS 70 -14.490 1.727 -5.108 482 HB3 LYS 70 HB3 LYS 70 -14.713 0.021 -4.780 483 HG2 LYS 70 HG2 LYS 70 -14.657 -0.232 -7.047 484 HG3 LYS 70 HG3 LYS 70 -16.313 0.335 -7.011 485 HD2 LYS 70 HD2 LYS 70 -15.513 2.689 -7.313 486 HD3 LYS 70 HD3 LYS 70 -13.856 2.119 -7.352 487 HE2 LYS 70 HE2 LYS 70 -15.415 0.572 -9.251 488 HE3 LYS 70 HE3 LYS 70 -15.716 2.275 -9.533 489 HZ1 LYS 70 HZ1 LYS 70 -13.779 1.742 -10.762 490 HZ2 LYS 70 HZ2 LYS 70 -13.198 2.529 -9.460 491 H LYS 71 HN LYS 71 -18.818 0.909 -5.830 492 HA LYS 71 HA LYS 71 -19.096 -1.857 -4.894 493 HB2 LYS 71 HB2 LYS 71 -20.797 0.450 -4.317 494 HB3 LYS 71 HB3 LYS 71 -21.689 -0.861 -5.061 495 HG2 LYS 71 HG2 LYS 71 -20.513 -2.425 -3.353 496 HG3 LYS 71 HG3 LYS 71 -20.008 -0.966 -2.522 497 HD2 LYS 71 HD2 LYS 71 -22.134 -0.493 -1.760 498 HD3 LYS 71 HD3 LYS 71 -22.906 -1.057 -3.228 499 HE2 LYS 71 HE2 LYS 71 -21.655 -2.938 -1.172 500 HE3 LYS 71 HE3 LYS 71 -23.347 -2.481 -1.148 501 HZ1 LYS 71 HZ1 LYS 71 -22.698 -3.318 -3.755 502 HZ2 LYS 71 HZ2 LYS 71 -22.156 -4.459 -2.726 Start of MODEL 6 1 H1 ALA 1 HN ALA 1 1.919 2.529 1.444 2 HA ALA 1 HA ALA 1 4.471 1.880 0.416 3 HB1 ALA 1 HB1 ALA 1 3.632 0.295 -1.357 4 HB2 ALA 1 HB2 ALA 1 3.619 -0.380 0.289 5 HB3 ALA 1 HB3 ALA 1 2.102 0.180 -0.453 6 H ASP 2 HN ASP 2 1.205 1.875 -1.154 7 HA ASP 2 HA ASP 2 1.710 4.591 -1.996 8 HB2 ASP 2 HB2 ASP 2 0.726 3.610 -4.333 9 HB3 ASP 2 HB3 ASP 2 2.441 3.775 -4.015 10 HD2 ASP 2 HD2 ASP 2 3.118 0.539 -4.296 11 H ASP 3 HN ASP 3 -0.447 1.684 -2.485 12 HA ASP 3 HA ASP 3 -2.716 3.471 -2.144 13 HB2 ASP 3 HB2 ASP 3 -2.696 2.149 -4.233 14 HB3 ASP 3 HB3 ASP 3 -2.494 0.664 -3.326 15 HD2 ASP 3 HD2 ASP 3 -5.792 0.321 -2.550 16 H ILE 4 HN ILE 4 -4.110 3.134 -0.359 17 HA ILE 4 HA ILE 4 -3.537 0.762 1.278 18 HB ILE 4 HB ILE 4 -4.131 3.585 2.166 19 HG12 ILE 4 HG1 ILE 4 -1.663 1.882 2.092 20 HG23 ILE 4 HG2 ILE 4 -4.222 2.853 4.396 21 HD11 ILE 4 HD1 ILE 4 -1.597 2.336 4.402 22 H VAL 5 HN VAL 5 -5.208 -0.627 1.070 23 HA VAL 5 HA VAL 5 -7.832 0.454 0.472 24 HB VAL 5 HB VAL 5 -6.598 -2.292 0.508 25 HG13 VAL 5 HG1 VAL 5 -9.421 -1.580 0.834 26 HG21 VAL 5 HG2 VAL 5 -7.420 -0.305 -1.551 27 H LEU 6 HN LEU 6 -9.424 0.733 1.961 28 HA LEU 6 HA LEU 6 -8.843 -0.245 4.657 29 HB2 LEU 6 HB2 LEU 6 -10.725 1.916 3.697 30 HB3 LEU 6 HB3 LEU 6 -10.490 1.442 5.368 31 HG LEU 6 HG LEU 6 -8.142 2.363 3.730 32 HD13 LEU 6 HD1 LEU 6 -8.885 4.438 3.506 33 HD21 LEU 6 HD2 LEU 6 -7.916 1.305 6.022 34 H LYS 7 HN LYS 7 -9.468 -2.451 4.226 35 HA LYS 7 HA LYS 7 -11.618 -3.425 3.011 36 HB2 LYS 7 HB2 LYS 7 -10.334 -4.215 5.623 37 HB3 LYS 7 HB3 LYS 7 -11.683 -5.126 4.971 38 HG2 LYS 7 HG2 LYS 7 -10.113 -6.265 3.773 39 HG3 LYS 7 HG3 LYS 7 -10.078 -4.858 2.728 40 HD2 LYS 7 HD2 LYS 7 -7.935 -4.431 3.322 41 HD3 LYS 7 HD3 LYS 7 -8.405 -4.284 5.003 42 HE2 LYS 7 HE2 LYS 7 -8.265 -6.792 5.235 43 HE3 LYS 7 HE3 LYS 7 -7.728 -6.899 3.570 44 HZ1 LYS 7 HZ1 LYS 7 -5.660 -6.417 4.255 45 HZ2 LYS 7 HZ2 LYS 7 -6.130 -5.005 4.916 46 H ALA 8 HN ALA 8 -13.689 -2.753 2.905 47 HA ALA 8 HA ALA 8 -14.913 -1.877 5.432 48 HB1 ALA 8 HB1 ALA 8 -15.248 0.076 4.362 49 HB2 ALA 8 HB2 ALA 8 -14.691 -0.603 2.814 50 HB3 ALA 8 HB3 ALA 8 -16.390 -0.793 3.308 51 H LYS 9 HN LYS 9 -17.062 -2.591 5.853 52 HA LYS 9 HA LYS 9 -17.650 -5.110 4.618 53 HB2 LYS 9 HB2 LYS 9 -18.585 -3.565 6.985 54 HB3 LYS 9 HB3 LYS 9 -19.730 -4.685 6.279 55 HG2 LYS 9 HG2 LYS 9 -17.117 -5.955 6.410 56 HG3 LYS 9 HG3 LYS 9 -17.512 -5.291 7.984 57 HD2 LYS 9 HD2 LYS 9 -19.839 -6.415 7.698 58 HD3 LYS 9 HD3 LYS 9 -19.134 -7.285 6.349 59 HE2 LYS 9 HE2 LYS 9 -17.941 -8.678 7.715 60 HE3 LYS 9 HE3 LYS 9 -17.414 -7.365 8.749 61 HZ1 LYS 9 HZ1 LYS 9 -19.163 -9.175 9.563 62 HZ2 LYS 9 HZ2 LYS 9 -19.205 -7.648 10.128 63 H ASN 10 HN ASN 10 -18.250 -1.845 3.863 64 HA ASN 10 HA ASN 10 -20.445 -2.713 2.166 65 HB2 ASN 10 HB2 ASN 10 -21.579 -1.416 3.844 66 HB3 ASN 10 HB3 ASN 10 -20.282 -0.241 3.939 67 HD21 ASN 10 HD2 ASN 10 -22.484 1.784 2.083 68 H GLY 11 HN GLY 11 -18.297 -2.876 0.804 69 HA2 GLY 11 HA1 GLY 11 -17.372 -2.036 -1.111 70 HA3 GLY 11 HA2 GLY 11 -18.063 -0.461 -0.777 71 H ASP 12 HN ASP 12 -15.186 -1.728 -1.333 72 HA ASP 12 HA ASP 12 -13.737 -1.017 0.974 73 HB2 ASP 12 HB2 ASP 12 -12.442 -1.047 -1.744 74 HB3 ASP 12 HB3 ASP 12 -11.849 -1.707 -0.234 75 HD2 ASP 12 HD2 ASP 12 -13.724 -3.387 0.469 76 H VAL 13 HN VAL 13 -11.793 0.679 0.632 77 HA VAL 13 HA VAL 13 -12.853 3.004 -0.819 78 HB VAL 13 HB VAL 13 -11.582 2.865 1.920 79 HG13 VAL 13 HG1 VAL 13 -11.181 4.887 0.070 80 HG21 VAL 13 HG2 VAL 13 -13.702 2.722 2.609 81 H LYS 14 HN LYS 14 -11.417 4.038 -2.162 82 HA LYS 14 HA LYS 14 -8.763 2.830 -2.292 83 HB2 LYS 14 HB2 LYS 14 -10.659 3.987 -4.239 84 HB3 LYS 14 HB3 LYS 14 -8.986 4.439 -4.498 85 HG2 LYS 14 HG2 LYS 14 -10.096 1.604 -4.278 86 HG3 LYS 14 HG3 LYS 14 -9.448 2.365 -5.717 87 HD2 LYS 14 HD2 LYS 14 -7.358 2.663 -3.885 88 HD3 LYS 14 HD3 LYS 14 -8.019 1.098 -3.454 89 HE2 LYS 14 HE2 LYS 14 -6.310 0.746 -5.153 90 HE3 LYS 14 HE3 LYS 14 -7.868 0.403 -5.879 91 HZ1 LYS 14 HZ1 LYS 14 -6.324 1.900 -7.198 92 HZ2 LYS 14 HZ2 LYS 14 -7.834 2.477 -7.006 93 H PHE 15 HN PHE 15 -7.480 3.831 -0.777 94 HA PHE 15 HA PHE 15 -7.471 6.764 -0.871 95 HB2 PHE 15 HB2 PHE 15 -8.093 5.501 1.292 96 HB3 PHE 15 HB3 PHE 15 -6.496 4.781 1.270 97 HD1 PHE 15 HD2 PHE 15 -7.337 8.297 0.438 98 HD2 PHE 15 HD1 PHE 15 -5.583 5.649 3.251 99 HE1 PHE 15 HE2 PHE 15 -6.434 10.257 1.718 100 HE2 PHE 15 HE1 PHE 15 -4.680 7.609 4.533 101 HZ PHE 15 HZ PHE 15 -5.117 9.890 3.752 102 HA PRO 16 HA PRO 16 -3.451 5.964 -2.690 103 HB2 PRO 16 HB2 PRO 16 -3.225 8.450 -3.838 104 HB3 PRO 16 HB3 PRO 16 -4.276 7.162 -4.509 105 HG2 PRO 16 HG2 PRO 16 -5.392 9.698 -2.954 106 HG3 PRO 16 HG3 PRO 16 -5.488 8.535 -4.316 107 HD2 PRO 16 HD2 PRO 16 -6.577 8.338 -1.564 108 HD3 PRO 16 HD3 PRO 16 -6.883 7.271 -2.968 109 H HIS 17 HN HIS 17 -2.514 5.834 -0.562 110 HA HIS 17 HA HIS 17 -2.051 8.051 1.153 111 HB2 HIS 17 HB2 HIS 17 -1.910 5.596 1.696 112 HB3 HIS 17 HB3 HIS 17 -0.333 5.536 0.798 113 HD1 HIS 17 HD1 HIS 17 1.632 5.878 2.142 114 HD2 HIS 17 HD2 HIS 17 -1.740 7.457 4.040 115 HE1 HIS 17 HE1 HIS 17 2.420 6.670 4.464 116 H LYS 18 HN LYS 18 0.287 6.489 -1.202 117 HA LYS 18 HA LYS 18 2.350 8.204 -0.942 118 HB2 LYS 18 HB2 LYS 18 2.854 6.518 -2.377 119 HB3 LYS 18 HB3 LYS 18 1.274 6.522 -3.134 120 HG2 LYS 18 HG2 LYS 18 2.796 7.339 -4.803 121 HG3 LYS 18 HG3 LYS 18 1.914 8.744 -4.240 122 HD2 LYS 18 HD2 LYS 18 3.752 9.550 -2.957 123 HD3 LYS 18 HD3 LYS 18 4.542 7.987 -2.927 124 HE2 LYS 18 HE2 LYS 18 4.334 8.566 -5.675 125 HE3 LYS 18 HE3 LYS 18 4.702 10.120 -4.955 126 HZ1 LYS 18 HZ1 LYS 18 6.682 9.250 -4.010 127 HZ2 LYS 18 HZ2 LYS 18 6.263 7.698 -4.268 128 H ALA 19 HN ALA 19 -0.735 8.759 -2.692 129 HA ALA 19 HA ALA 19 0.057 11.176 -3.889 130 HB1 ALA 19 HB1 ALA 19 -1.881 9.724 -4.553 131 HB2 ALA 19 HB2 ALA 19 -2.728 10.250 -3.080 132 HB3 ALA 19 HB3 ALA 19 -2.316 11.437 -4.341 133 H HIS 20 HN HIS 20 -1.434 10.300 -0.811 134 HA HIS 20 HA HIS 20 -1.742 13.090 0.052 135 HB2 HIS 20 HB2 HIS 20 -2.245 10.342 1.286 136 HB3 HIS 20 HB3 HIS 20 -2.375 11.871 2.257 137 HD1 HIS 20 HD1 HIS 20 -3.876 10.256 -0.815 138 HD2 HIS 20 HD2 HIS 20 -4.829 13.078 2.117 139 HE1 HIS 20 HE1 HIS 20 -6.348 10.880 -1.194 140 H GLN 21 HN GLN 21 0.981 11.417 -0.526 141 HA GLN 21 HA GLN 21 2.247 11.973 2.007 142 HB2 GLN 21 HB2 GLN 21 2.637 10.050 -0.059 143 HB3 GLN 21 HB3 GLN 21 4.070 11.058 -0.068 144 HG2 GLN 21 HG2 GLN 21 4.770 10.315 1.992 145 HG3 GLN 21 HG3 GLN 21 3.151 10.315 2.659 146 HE21 GLN 21 HE2 GLN 21 3.255 6.844 2.708 147 H LYS 22 HN LYS 22 1.289 13.850 -0.464 148 HA LYS 22 HA LYS 22 3.289 15.806 0.045 149 HB2 LYS 22 HB2 LYS 22 4.295 14.190 -1.725 150 HB3 LYS 22 HB3 LYS 22 3.159 14.930 -2.837 151 HG2 LYS 22 HG2 LYS 22 4.144 17.084 -2.618 152 HG3 LYS 22 HG3 LYS 22 4.918 16.685 -1.097 153 HD2 LYS 22 HD2 LYS 22 5.662 15.256 -3.681 154 HD3 LYS 22 HD3 LYS 22 6.413 16.773 -3.227 155 HE2 LYS 22 HE2 LYS 22 6.521 15.159 -0.886 156 HE3 LYS 22 HE3 LYS 22 6.939 14.084 -2.205 157 HZ1 LYS 22 HZ1 LYS 22 8.273 16.644 -1.525 158 HZ2 LYS 22 HZ2 LYS 22 8.936 15.156 -1.517 159 H ALA 23 HN ALA 23 0.477 15.539 0.498 160 HA ALA 23 HA ALA 23 -0.415 17.771 -1.155 161 HB1 ALA 23 HB1 ALA 23 -2.557 15.841 -0.639 162 HB2 ALA 23 HB2 ALA 23 -2.080 16.631 -2.161 163 HB3 ALA 23 HB3 ALA 23 -1.253 15.146 -1.632 164 H VAL 24 HN VAL 24 0.589 17.089 1.707 165 HA VAL 24 HA VAL 24 -1.452 18.662 3.011 166 HB VAL 24 HB VAL 24 -0.718 15.870 3.909 167 HG13 VAL 24 HG1 VAL 24 -2.319 16.383 5.818 168 HG21 VAL 24 HG2 VAL 24 -2.457 15.919 2.200 169 HA PRO 25 HA PRO 25 2.578 20.525 3.754 170 HB2 PRO 25 HB2 PRO 25 0.619 21.928 5.628 171 HB3 PRO 25 HB3 PRO 25 1.969 22.592 4.650 172 HG2 PRO 25 HG2 PRO 25 -0.545 22.693 3.732 173 HG3 PRO 25 HG3 PRO 25 0.744 22.427 2.514 174 HD2 PRO 25 HD2 PRO 25 -1.308 20.540 3.612 175 HD3 PRO 25 HD3 PRO 25 -0.345 20.412 2.110 176 H ASP 26 HN ASP 26 0.242 20.008 6.539 177 HA ASP 26 HA ASP 26 2.550 19.026 8.005 178 HB2 ASP 26 HB2 ASP 26 0.880 20.919 8.815 179 HB3 ASP 26 HB3 ASP 26 -0.182 19.581 9.203 180 HD2 ASP 26 HD2 ASP 26 -0.051 19.915 11.360 181 H CYS 27 HN CYS 27 2.195 16.974 6.573 182 HA CYS 27 HA CYS 27 0.000 15.435 6.504 183 HB2 CYS 27 HB2 CYS 27 1.383 14.044 5.494 184 HB3 CYS 27 HB3 CYS 27 2.706 15.107 5.932 185 H LYS 28 HN LYS 28 2.077 16.188 9.269 186 HA LYS 28 HA LYS 28 1.566 14.077 10.944 187 HB2 LYS 28 HB2 LYS 28 2.014 17.018 11.501 188 HB3 LYS 28 HB3 LYS 28 1.900 15.820 12.773 189 HG2 LYS 28 HG2 LYS 28 3.723 14.980 10.605 190 HG3 LYS 28 HG3 LYS 28 4.218 16.490 11.344 191 HD2 LYS 28 HD2 LYS 28 4.588 15.520 13.437 192 HD3 LYS 28 HD3 LYS 28 3.379 14.274 13.199 193 HE2 LYS 28 HE2 LYS 28 5.710 14.165 11.326 194 HE3 LYS 28 HE3 LYS 28 6.083 13.836 13.006 195 HZ1 LYS 28 HZ1 LYS 28 4.157 12.382 11.293 196 HZ2 LYS 28 HZ2 LYS 28 5.453 11.773 12.067 197 H LYS 29 HN LYS 29 -0.625 16.468 9.664 198 HA LYS 29 HA LYS 29 -2.499 16.847 11.535 199 HB2 LYS 29 HB2 LYS 29 -2.474 17.585 9.106 200 HB3 LYS 29 HB3 LYS 29 -3.173 16.030 8.699 201 HG2 LYS 29 HG2 LYS 29 -5.121 16.467 10.141 202 HG3 LYS 29 HG3 LYS 29 -4.400 17.949 10.733 203 HD2 LYS 29 HD2 LYS 29 -4.966 17.501 7.772 204 HD3 LYS 29 HD3 LYS 29 -6.168 18.173 8.855 205 HE2 LYS 29 HE2 LYS 29 -3.684 19.582 9.302 206 HE3 LYS 29 HE3 LYS 29 -3.968 19.527 7.574 207 HZ1 LYS 29 HZ1 LYS 29 -5.660 20.742 9.651 208 HZ2 LYS 29 HZ2 LYS 29 -5.198 21.368 8.220 209 H CYS 30 HN CYS 30 -2.246 13.877 9.460 210 HA CYS 30 HA CYS 30 -4.267 12.599 11.044 211 HB2 CYS 30 HB2 CYS 30 -2.581 11.114 9.056 212 HB3 CYS 30 HB3 CYS 30 -4.277 10.917 9.449 213 H HIS 31 HN HIS 31 -0.778 12.639 10.576 214 HA HIS 31 HA HIS 31 -0.396 10.595 12.721 215 HB2 HIS 31 HB2 HIS 31 1.564 11.763 10.667 216 HB3 HIS 31 HB3 HIS 31 1.918 10.446 11.866 217 HD1 HIS 31 HD1 HIS 31 -0.386 8.611 11.472 218 HD2 HIS 31 HD2 HIS 31 1.545 10.476 8.269 219 HE1 HIS 31 HE1 HIS 31 -0.840 7.141 9.404 220 H GLU 32 HN GLU 32 -1.344 12.636 14.019 221 HA GLU 32 HA GLU 32 0.609 14.632 14.539 222 HB2 GLU 32 HB2 GLU 32 -1.955 14.883 14.656 223 HB3 GLU 32 HB3 GLU 32 -1.881 14.025 16.183 224 HG2 GLU 32 HG2 GLU 32 0.036 15.860 16.694 225 HG3 GLU 32 HG3 GLU 32 -0.856 16.773 15.493 226 HE2 GLU 32 HE2 GLU 32 -3.280 16.438 15.911 227 H LYS 33 HN LYS 33 2.273 12.794 15.006 228 HA LYS 33 HA LYS 33 3.146 12.870 17.516 229 HB2 LYS 33 HB2 LYS 33 2.365 10.599 18.458 230 HB3 LYS 33 HB3 LYS 33 1.298 11.982 18.602 231 HG2 LYS 33 HG2 LYS 33 0.661 10.873 16.080 232 HG3 LYS 33 HG3 LYS 33 0.904 9.479 17.114 233 HD2 LYS 33 HD2 LYS 33 -0.633 11.549 18.511 234 HD3 LYS 33 HD3 LYS 33 -1.397 11.130 16.991 235 HE2 LYS 33 HE2 LYS 33 -2.313 9.411 18.206 236 HE3 LYS 33 HE3 LYS 33 -0.782 8.620 17.890 237 HZ1 LYS 33 HZ1 LYS 33 -1.396 8.665 20.284 238 HZ2 LYS 33 HZ2 LYS 33 0.040 9.385 20.017 239 H GLY 34 HN GLY 34 2.352 10.459 14.941 240 HA2 GLY 34 HA1 GLY 34 4.859 10.239 13.880 241 HA3 GLY 34 HA2 GLY 34 4.865 9.102 15.213 242 HA PRO 35 HA PRO 35 2.778 7.563 11.127 243 HB2 PRO 35 HB2 PRO 35 4.821 5.764 10.510 244 HB3 PRO 35 HB3 PRO 35 4.704 7.436 9.870 245 HG2 PRO 35 HG2 PRO 35 6.379 6.503 12.397 246 HG3 PRO 35 HG3 PRO 35 6.915 7.460 10.978 247 HD2 PRO 35 HD2 PRO 35 6.073 8.713 13.211 248 HD3 PRO 35 HD3 PRO 35 5.507 9.301 11.618 249 H GLY 36 HN GLY 36 3.296 4.712 10.779 250 HA2 GLY 36 HA1 GLY 36 2.915 2.699 11.740 251 HA3 GLY 36 HA2 GLY 36 3.163 3.409 13.323 252 H LYS 37 HN LYS 37 1.138 1.512 12.950 253 HA LYS 37 HA LYS 37 -1.312 2.147 12.173 254 HB2 LYS 37 HB2 LYS 37 -2.134 0.878 14.212 255 HB3 LYS 37 HB3 LYS 37 -0.965 0.058 13.197 256 HG2 LYS 37 HG2 LYS 37 0.191 1.714 15.405 257 HG3 LYS 37 HG3 LYS 37 -0.717 0.305 15.918 258 HD2 LYS 37 HD2 LYS 37 0.876 -1.152 15.156 259 HD3 LYS 37 HD3 LYS 37 1.096 -0.275 13.654 260 HE2 LYS 37 HE2 LYS 37 2.133 1.003 16.182 261 HE3 LYS 37 HE3 LYS 37 3.019 -0.367 15.542 262 HZ1 LYS 37 HZ1 LYS 37 3.491 2.065 14.685 263 HZ2 LYS 37 HZ2 LYS 37 3.597 0.805 13.659 264 H ILE 38 HN ILE 38 -2.976 3.548 12.634 265 HA ILE 38 HA ILE 38 -2.299 5.658 14.531 266 HB ILE 38 HB ILE 38 -4.140 5.441 12.173 267 HG12 ILE 38 HG1 ILE 38 -2.873 7.665 11.705 268 HG23 ILE 38 HG2 ILE 38 -4.407 7.235 14.536 269 HD11 ILE 38 HD1 ILE 38 -1.933 4.823 11.475 270 H GLU 39 HN GLU 39 -2.814 4.938 16.574 271 HA GLU 39 HA GLU 39 -3.993 3.814 18.107 272 HB2 GLU 39 HB2 GLU 39 -6.055 5.898 17.268 273 HB3 GLU 39 HB3 GLU 39 -5.864 5.203 18.865 274 HG2 GLU 39 HG2 GLU 39 -4.188 6.647 19.403 275 HG3 GLU 39 HG3 GLU 39 -3.327 6.324 17.910 276 HE2 GLU 39 HE2 GLU 39 -3.389 7.952 16.462 277 H GLY 40 HN GLY 40 -7.189 4.295 17.758 278 HA2 GLY 40 HA1 GLY 40 -7.580 1.758 16.287 279 HA3 GLY 40 HA2 GLY 40 -8.533 2.283 17.661 280 H PHE 41 HN PHE 41 -7.560 3.332 14.325 281 HA PHE 41 HA PHE 41 -9.195 5.346 13.814 282 HB2 PHE 41 HB2 PHE 41 -7.688 4.150 12.191 283 HB3 PHE 41 HB3 PHE 41 -8.771 2.773 12.179 284 HD1 PHE 41 HD1 PHE 41 -11.276 3.379 11.485 285 HD2 PHE 41 HD2 PHE 41 -7.849 5.660 10.457 286 HE1 PHE 41 HE1 PHE 41 -12.520 4.374 9.545 287 HE2 PHE 41 HE2 PHE 41 -9.093 6.656 8.518 288 HZ PHE 41 HZ PHE 41 -11.414 6.001 8.085 289 H GLY 42 HN GLY 42 -11.359 5.649 12.914 290 HA2 GLY 42 HA1 GLY 42 -13.225 3.422 13.256 291 HA3 GLY 42 HA2 GLY 42 -13.458 4.830 14.275 292 H LYS 43 HN LYS 43 -15.381 3.949 12.339 293 HA LYS 43 HA LYS 43 -15.145 5.277 9.893 294 HB2 LYS 43 HB2 LYS 43 -17.207 3.832 11.406 295 HB3 LYS 43 HB3 LYS 43 -17.859 5.103 10.391 296 HG2 LYS 43 HG2 LYS 43 -17.718 3.563 8.709 297 HG3 LYS 43 HG3 LYS 43 -16.016 3.979 8.675 298 HD2 LYS 43 HD2 LYS 43 -17.125 1.795 10.491 299 HD3 LYS 43 HD3 LYS 43 -16.583 1.468 8.857 300 HE2 LYS 43 HE2 LYS 43 -14.374 1.598 9.437 301 HE3 LYS 43 HE3 LYS 43 -14.614 3.053 10.384 302 HZ1 LYS 43 HZ1 LYS 43 -14.675 0.289 11.267 303 HZ2 LYS 43 HZ2 LYS 43 -14.237 1.620 12.094 304 H GLU 44 HN GLU 44 -16.998 6.210 12.883 305 HA GLU 44 HA GLU 44 -17.963 8.553 12.137 306 HB2 GLU 44 HB2 GLU 44 -18.086 9.134 14.423 307 HB3 GLU 44 HB3 GLU 44 -17.984 7.385 14.454 308 HG2 GLU 44 HG2 GLU 44 -15.564 9.228 14.744 309 HG3 GLU 44 HG3 GLU 44 -16.447 8.562 16.103 310 HE2 GLU 44 HE2 GLU 44 -16.347 6.089 16.210 311 H MET 45 HN MET 45 -14.529 7.829 12.810 312 HA MET 45 HA MET 45 -13.742 10.538 12.798 313 HB2 MET 45 HB2 MET 45 -12.592 7.939 13.286 314 HB3 MET 45 HB3 MET 45 -11.611 8.684 12.039 315 HG2 MET 45 HG2 MET 45 -10.542 9.672 13.818 316 HG3 MET 45 HG3 MET 45 -11.869 10.814 13.741 317 HE1 MET 45 HE1 MET 45 -11.856 10.568 17.511 318 HE2 MET 45 HE2 MET 45 -10.347 10.425 16.578 319 HE3 MET 45 HE3 MET 45 -11.627 11.536 16.035 320 H ALA 46 HN ALA 46 -13.723 7.855 10.375 321 HA ALA 46 HA ALA 46 -12.313 9.046 8.367 322 HB1 ALA 46 HB1 ALA 46 -13.268 6.701 8.484 323 HB2 ALA 46 HB2 ALA 46 -14.838 7.390 8.007 324 HB3 ALA 46 HB3 ALA 46 -13.446 7.503 6.904 325 H HIS 47 HN HIS 47 -15.873 9.007 8.587 326 HA HIS 47 HA HIS 47 -16.287 11.069 6.651 327 HB2 HIS 47 HB2 HIS 47 -18.164 10.238 8.928 328 HB3 HIS 47 HB3 HIS 47 -18.599 10.974 7.325 329 HD1 HIS 47 HD1 HIS 47 -18.983 7.991 8.939 330 HD2 HIS 47 HD2 HIS 47 -17.375 8.932 5.197 331 HE1 HIS 47 HE1 HIS 47 -19.140 5.840 7.527 332 H GLY 48 HN GLY 48 -15.075 11.218 9.888 333 HA2 GLY 48 HA1 GLY 48 -16.127 13.808 10.557 334 HA3 GLY 48 HA2 GLY 48 -14.881 12.905 11.395 335 H LYS 49 HN LYS 49 -13.180 14.337 11.573 336 HA LYS 49 HA LYS 49 -12.406 15.764 9.135 337 HB2 LYS 49 HB2 LYS 49 -12.543 16.478 11.945 338 HB3 LYS 49 HB3 LYS 49 -10.926 16.732 11.322 339 HG2 LYS 49 HG2 LYS 49 -12.723 17.658 9.294 340 HG3 LYS 49 HG3 LYS 49 -13.335 18.279 10.814 341 HD2 LYS 49 HD2 LYS 49 -10.398 18.516 10.032 342 HD3 LYS 49 HD3 LYS 49 -11.582 19.729 9.584 343 HE2 LYS 49 HE2 LYS 49 -12.020 19.260 12.354 344 HE3 LYS 49 HE3 LYS 49 -10.278 19.292 12.168 345 HZ1 LYS 49 HZ1 LYS 49 -11.727 21.387 10.756 346 HZ2 LYS 49 HZ2 LYS 49 -11.739 21.506 12.380 347 H GLY 50 HN GLY 50 -11.853 13.120 8.921 348 HA2 GLY 50 HA1 GLY 50 -8.945 13.121 9.030 349 HA3 GLY 50 HA2 GLY 50 -9.746 11.888 9.984 350 H CYS 51 HN CYS 51 -11.099 13.207 6.940 351 HA CYS 51 HA CYS 51 -10.020 11.394 5.175 352 HB2 CYS 51 HB2 CYS 51 -11.493 9.927 6.886 353 HB3 CYS 51 HB3 CYS 51 -12.747 10.366 5.743 354 H LYS 52 HN LYS 52 -13.474 12.255 5.955 355 HA LYS 52 HA LYS 52 -13.699 13.485 3.345 356 HB2 LYS 52 HB2 LYS 52 -15.403 11.901 4.534 357 HB3 LYS 52 HB3 LYS 52 -15.893 13.343 5.400 358 HG2 LYS 52 HG2 LYS 52 -16.270 14.521 3.221 359 HG3 LYS 52 HG3 LYS 52 -15.789 13.074 2.358 360 HD2 LYS 52 HD2 LYS 52 -17.743 11.915 2.909 361 HD3 LYS 52 HD3 LYS 52 -17.964 12.778 4.418 362 HE2 LYS 52 HE2 LYS 52 -18.413 14.882 2.919 363 HE3 LYS 52 HE3 LYS 52 -18.595 13.740 1.602 364 HZ1 LYS 52 HZ1 LYS 52 -20.699 14.298 2.845 365 HZ2 LYS 52 HZ2 LYS 52 -20.409 12.700 2.728 366 H GLY 53 HN GLY 53 -14.261 14.416 6.813 367 HA2 GLY 53 HA1 GLY 53 -14.892 16.992 6.686 368 HA3 GLY 53 HA2 GLY 53 -13.720 16.379 7.835 369 H CYS 54 HN CYS 54 -11.450 15.822 6.447 370 HA CYS 54 HA CYS 54 -10.200 18.175 6.140 371 HB2 CYS 54 HB2 CYS 54 -9.536 15.487 5.758 372 HB3 CYS 54 HB3 CYS 54 -9.168 16.233 4.216 373 H HIS 55 HN HIS 55 -11.302 16.114 3.433 374 HA HIS 55 HA HIS 55 -10.928 17.848 1.294 375 HB2 HIS 55 HB2 HIS 55 -13.254 15.888 1.703 376 HB3 HIS 55 HB3 HIS 55 -12.629 16.523 0.120 377 HD1 HIS 55 HD1 HIS 55 -12.816 13.511 1.157 378 HD2 HIS 55 HD2 HIS 55 -9.364 15.850 0.879 379 HE1 HIS 55 HE1 HIS 55 -10.846 11.861 0.953 380 H GLU 56 HN GLU 56 -13.791 17.697 3.540 381 HA GLU 56 HA GLU 56 -15.234 19.639 2.174 382 HB2 GLU 56 HB2 GLU 56 -16.343 18.173 3.750 383 HB3 GLU 56 HB3 GLU 56 -15.299 18.682 5.063 384 HG2 GLU 56 HG2 GLU 56 -16.617 20.994 3.834 385 HG3 GLU 56 HG3 GLU 56 -17.800 19.805 4.340 386 HE2 GLU 56 HE2 GLU 56 -16.911 20.129 7.753 387 H GLU 57 HN GLU 57 -12.492 19.802 4.370 388 HA GLU 57 HA GLU 57 -12.970 22.603 4.870 389 HB2 GLU 57 HB2 GLU 57 -12.040 20.763 6.548 390 HB3 GLU 57 HB3 GLU 57 -10.501 21.122 5.789 391 HG2 GLU 57 HG2 GLU 57 -10.351 22.839 7.281 392 HG3 GLU 57 HG3 GLU 57 -11.495 23.672 6.248 393 HE2 GLU 57 HE2 GLU 57 -13.622 23.970 8.774 394 H MET 58 HN MET 58 -10.242 20.524 3.640 395 HA MET 58 HA MET 58 -8.730 22.599 2.683 396 HB2 MET 58 HB2 MET 58 -8.535 19.840 2.818 397 HB3 MET 58 HB3 MET 58 -8.758 20.048 1.092 398 HG2 MET 58 HG2 MET 58 -6.394 20.148 1.391 399 HG3 MET 58 HG3 MET 58 -6.871 21.825 1.207 400 HE1 MET 58 HE1 MET 58 -4.186 20.312 4.008 401 HE2 MET 58 HE2 MET 58 -5.561 19.240 4.363 402 HE3 MET 58 HE3 MET 58 -5.014 19.461 2.683 403 H LYS 59 HN LYS 59 -11.757 21.372 1.514 404 HA LYS 59 HA LYS 59 -13.024 21.923 -0.207 405 HB2 LYS 59 HB2 LYS 59 -11.569 24.239 0.315 406 HB3 LYS 59 HB3 LYS 59 -11.387 24.022 -1.414 407 HG2 LYS 59 HG2 LYS 59 -14.142 23.458 -0.604 408 HG3 LYS 59 HG3 LYS 59 -13.655 25.046 -0.042 409 HD2 LYS 59 HD2 LYS 59 -12.817 24.440 -2.833 410 HD3 LYS 59 HD3 LYS 59 -14.554 24.477 -2.602 411 HE2 LYS 59 HE2 LYS 59 -14.404 26.739 -1.592 412 HE3 LYS 59 HE3 LYS 59 -12.656 26.701 -1.710 413 HZ1 LYS 59 HZ1 LYS 59 -12.768 27.247 -3.884 414 HZ2 LYS 59 HZ2 LYS 59 -13.929 26.158 -4.228 415 H LYS 60 HN LYS 60 -10.283 20.290 -0.332 416 HA LYS 60 HA LYS 60 -10.481 19.914 -3.236 417 HB2 LYS 60 HB2 LYS 60 -7.973 19.342 -3.081 418 HB3 LYS 60 HB3 LYS 60 -8.446 21.029 -3.097 419 HG2 LYS 60 HG2 LYS 60 -8.351 21.037 -0.566 420 HG3 LYS 60 HG3 LYS 60 -7.770 19.385 -0.613 421 HD2 LYS 60 HD2 LYS 60 -5.791 20.705 -0.452 422 HD3 LYS 60 HD3 LYS 60 -5.864 20.235 -2.138 423 HE2 LYS 60 HE2 LYS 60 -7.216 22.813 -1.345 424 HE3 LYS 60 HE3 LYS 60 -5.465 22.794 -1.393 425 HZ1 LYS 60 HZ1 LYS 60 -6.130 21.571 -3.720 426 HZ2 LYS 60 HZ2 LYS 60 -7.323 22.671 -3.593 427 H GLY 61 HN GLY 61 -10.786 17.822 -3.879 428 HA2 GLY 61 HA1 GLY 61 -10.161 15.489 -3.472 429 HA3 GLY 61 HA2 GLY 61 -10.520 15.756 -1.777 430 HA PRO 62 HA PRO 62 -14.420 14.425 -3.978 431 HB2 PRO 62 HB2 PRO 62 -14.323 11.699 -3.606 432 HB3 PRO 62 HB3 PRO 62 -13.533 12.527 -4.988 433 HG2 PRO 62 HG2 PRO 62 -12.044 11.282 -2.546 434 HG3 PRO 62 HG3 PRO 62 -11.905 11.703 -4.285 435 HD2 PRO 62 HD2 PRO 62 -11.200 13.286 -1.845 436 HD3 PRO 62 HD3 PRO 62 -10.686 13.536 -3.541 437 H THR 63 HN THR 63 -16.396 14.127 -2.809 438 HA THR 63 HA THR 63 -16.023 13.467 0.039 439 HB THR 63 HB THR 63 -17.896 15.165 0.399 440 HG1 THR 63 HG1 THR 63 -18.809 15.602 -1.583 441 HG21 THR 63 HG2 THR 63 -16.187 17.034 -0.921 442 H LYS 64 HN LYS 64 -17.946 13.172 -2.938 443 HA LYS 64 HA LYS 64 -20.194 11.972 -1.904 444 HB2 LYS 64 HB2 LYS 64 -18.750 11.626 -4.540 445 HB3 LYS 64 HB3 LYS 64 -20.281 10.849 -4.196 446 HG2 LYS 64 HG2 LYS 64 -20.440 13.648 -3.423 447 HG3 LYS 64 HG3 LYS 64 -19.839 13.540 -5.066 448 HD2 LYS 64 HD2 LYS 64 -21.972 11.629 -4.829 449 HD3 LYS 64 HD3 LYS 64 -22.539 13.117 -4.098 450 HE2 LYS 64 HE2 LYS 64 -22.943 13.908 -6.187 451 HE3 LYS 64 HE3 LYS 64 -21.211 13.965 -6.444 452 HZ1 LYS 64 HZ1 LYS 64 -21.387 11.567 -7.141 453 HZ2 LYS 64 HZ2 LYS 64 -23.009 11.697 -7.093 454 H CYS 65 HN CYS 65 -20.841 9.717 -1.717 455 HA CYS 65 HA CYS 65 -18.907 8.217 -0.340 456 HB2 CYS 65 HB2 CYS 65 -21.310 6.825 -1.364 457 HB3 CYS 65 HB3 CYS 65 -20.605 6.838 0.240 458 H GLY 66 HN GLY 66 -20.690 7.620 -3.467 459 HA2 GLY 66 HA1 GLY 66 -19.446 5.391 -4.364 460 HA3 GLY 66 HA2 GLY 66 -19.979 6.697 -5.401 461 H GLU 67 HN GLU 67 -18.028 8.612 -3.955 462 HA GLU 67 HA GLU 67 -15.891 8.129 -5.747 463 HB2 GLU 67 HB2 GLU 67 -16.318 10.222 -3.572 464 HB3 GLU 67 HB3 GLU 67 -14.932 10.217 -4.644 465 HG2 GLU 67 HG2 GLU 67 -17.788 10.189 -5.706 466 HG3 GLU 67 HG3 GLU 67 -16.951 11.684 -5.338 467 HE2 GLU 67 HE2 GLU 67 -16.926 11.371 -8.495 468 H CYS 68 HN CYS 68 -16.535 7.635 -2.277 469 HA CYS 68 HA CYS 68 -13.758 6.875 -1.869 470 HB2 CYS 68 HB2 CYS 68 -15.947 7.825 -0.126 471 HB3 CYS 68 HB3 CYS 68 -14.989 6.527 0.560 472 H HIS 69 HN HIS 69 -17.103 5.728 -1.422 473 HA HIS 69 HA HIS 69 -16.205 2.926 -1.100 474 HB2 HIS 69 HB2 HIS 69 -18.951 4.288 -0.968 475 HB3 HIS 69 HB3 HIS 69 -18.652 2.519 -0.692 476 HD1 HIS 69 HD1 HIS 69 -16.985 2.038 1.360 477 HD2 HIS 69 HD2 HIS 69 -18.834 5.786 1.309 478 HE1 HIS 69 HE1 HIS 69 -16.830 2.950 3.766 479 H LYS 70 HN LYS 70 -16.094 1.474 -2.736 480 HA LYS 70 HA LYS 70 -17.795 1.871 -5.060 481 HB2 LYS 70 HB2 LYS 70 -15.973 3.036 -5.907 482 HB3 LYS 70 HB3 LYS 70 -14.798 2.040 -5.073 483 HG2 LYS 70 HG2 LYS 70 -15.177 0.170 -6.572 484 HG3 LYS 70 HG3 LYS 70 -16.604 0.920 -7.258 485 HD2 LYS 70 HD2 LYS 70 -14.295 2.706 -7.500 486 HD3 LYS 70 HD3 LYS 70 -13.933 1.140 -8.198 487 HE2 LYS 70 HE2 LYS 70 -16.406 1.462 -9.254 488 HE3 LYS 70 HE3 LYS 70 -16.011 3.154 -9.028 489 HZ1 LYS 70 HZ1 LYS 70 -13.754 2.280 -10.153 490 HZ2 LYS 70 HZ2 LYS 70 -14.795 1.237 -10.845 491 H LYS 71 HN LYS 71 -17.999 -0.101 -6.365 492 HA LYS 71 HA LYS 71 -17.172 -2.475 -4.844 493 HB2 LYS 71 HB2 LYS 71 -19.780 -1.563 -5.215 494 HB3 LYS 71 HB3 LYS 71 -19.602 -2.816 -6.427 495 HG2 LYS 71 HG2 LYS 71 -18.437 -3.542 -3.793 496 HG3 LYS 71 HG3 LYS 71 -20.166 -3.255 -3.739 497 HD2 LYS 71 HD2 LYS 71 -20.658 -5.047 -5.155 498 HD3 LYS 71 HD3 LYS 71 -19.134 -4.935 -6.012 499 HE2 LYS 71 HE2 LYS 71 -17.968 -6.176 -4.405 500 HE3 LYS 71 HE3 LYS 71 -19.026 -5.687 -3.096 501 HZ1 LYS 71 HZ1 LYS 71 -20.268 -7.510 -3.449 502 HZ2 LYS 71 HZ2 LYS 71 -20.495 -7.164 -5.023 Start of MODEL 7 1 H1 ALA 1 HN ALA 1 3.244 1.588 2.412 2 HA ALA 1 HA ALA 1 3.490 1.337 0.228 3 HB1 ALA 1 HB1 ALA 1 2.209 -0.778 0.674 4 HB2 ALA 1 HB2 ALA 1 0.714 0.090 0.249 5 HB3 ALA 1 HB3 ALA 1 1.985 -0.142 -0.973 6 H ASP 2 HN ASP 2 2.299 1.900 -2.024 7 HA ASP 2 HA ASP 2 1.794 4.586 -1.906 8 HB2 ASP 2 HB2 ASP 2 0.634 4.004 -4.257 9 HB3 ASP 2 HB3 ASP 2 2.372 3.929 -4.047 10 HD2 ASP 2 HD2 ASP 2 1.281 1.235 -5.891 11 H ASP 3 HN ASP 3 -0.591 2.075 -3.050 12 HA ASP 3 HA ASP 3 -2.715 3.785 -2.139 13 HB2 ASP 3 HB2 ASP 3 -2.925 2.774 -4.361 14 HB3 ASP 3 HB3 ASP 3 -2.649 1.170 -3.710 15 HD2 ASP 3 HD2 ASP 3 -4.458 0.355 -4.345 16 H ILE 4 HN ILE 4 -3.955 3.320 -0.283 17 HA ILE 4 HA ILE 4 -3.378 0.752 1.027 18 HB ILE 4 HB ILE 4 -4.056 3.416 2.281 19 HG12 ILE 4 HG1 ILE 4 -1.463 2.001 1.761 20 HG23 ILE 4 HG2 ILE 4 -4.114 2.424 4.332 21 HD11 ILE 4 HD1 ILE 4 -0.538 3.651 3.546 22 H VAL 5 HN VAL 5 -5.044 -0.639 0.858 23 HA VAL 5 HA VAL 5 -7.673 0.404 0.285 24 HB VAL 5 HB VAL 5 -6.436 -2.340 0.436 25 HG13 VAL 5 HG1 VAL 5 -9.284 -1.587 0.600 26 HG21 VAL 5 HG2 VAL 5 -6.216 -2.191 -1.790 27 H LEU 6 HN LEU 6 -9.282 0.714 1.750 28 HA LEU 6 HA LEU 6 -8.723 -0.204 4.475 29 HB2 LEU 6 HB2 LEU 6 -10.602 1.967 3.542 30 HB3 LEU 6 HB3 LEU 6 -10.210 1.562 5.200 31 HG LEU 6 HG LEU 6 -8.064 2.440 3.273 32 HD13 LEU 6 HD1 LEU 6 -9.763 4.164 3.149 33 HD21 LEU 6 HD2 LEU 6 -8.272 1.896 6.159 34 H LYS 7 HN LYS 7 -9.410 -2.407 3.931 35 HA LYS 7 HA LYS 7 -11.691 -3.204 2.775 36 HB2 LYS 7 HB2 LYS 7 -10.248 -4.276 5.203 37 HB3 LYS 7 HB3 LYS 7 -11.642 -5.093 4.526 38 HG2 LYS 7 HG2 LYS 7 -9.490 -4.271 2.595 39 HG3 LYS 7 HG3 LYS 7 -9.104 -5.582 3.691 40 HD2 LYS 7 HD2 LYS 7 -11.522 -6.477 2.927 41 HD3 LYS 7 HD3 LYS 7 -11.206 -5.469 1.529 42 HE2 LYS 7 HE2 LYS 7 -8.843 -6.689 1.526 43 HE3 LYS 7 HE3 LYS 7 -9.664 -7.891 2.502 44 HZ1 LYS 7 HZ1 LYS 7 -9.725 -7.916 -0.158 45 HZ2 LYS 7 HZ2 LYS 7 -10.934 -8.542 0.735 46 H ALA 8 HN ALA 8 -13.823 -2.800 2.995 47 HA ALA 8 HA ALA 8 -14.727 -1.930 5.655 48 HB1 ALA 8 HB1 ALA 8 -16.236 -0.962 3.298 49 HB2 ALA 8 HB2 ALA 8 -15.724 -0.094 4.765 50 HB3 ALA 8 HB3 ALA 8 -14.576 -0.331 3.425 51 H LYS 9 HN LYS 9 -17.011 -2.466 6.125 52 HA LYS 9 HA LYS 9 -17.653 -5.041 4.949 53 HB2 LYS 9 HB2 LYS 9 -18.507 -3.570 7.438 54 HB3 LYS 9 HB3 LYS 9 -19.413 -4.950 6.853 55 HG2 LYS 9 HG2 LYS 9 -17.854 -6.404 7.634 56 HG3 LYS 9 HG3 LYS 9 -16.563 -5.562 6.801 57 HD2 LYS 9 HD2 LYS 9 -17.690 -4.279 9.286 58 HD3 LYS 9 HD3 LYS 9 -16.675 -5.693 9.492 59 HE2 LYS 9 HE2 LYS 9 -15.372 -4.002 7.566 60 HE3 LYS 9 HE3 LYS 9 -15.877 -2.972 8.890 61 HZ1 LYS 9 HZ1 LYS 9 -14.114 -5.341 9.035 62 HZ2 LYS 9 HZ2 LYS 9 -13.799 -3.827 9.544 63 H ASN 10 HN ASN 10 -17.903 -2.901 3.132 64 HA ASN 10 HA ASN 10 -20.376 -3.346 2.130 65 HB2 ASN 10 HB2 ASN 10 -21.403 -2.130 3.986 66 HB3 ASN 10 HB3 ASN 10 -20.258 -0.812 3.838 67 HD21 ASN 10 HD2 ASN 10 -23.007 0.748 2.238 68 H GLY 11 HN GLY 11 -17.909 -3.232 0.988 69 HA2 GLY 11 HA1 GLY 11 -17.296 -2.332 -1.095 70 HA3 GLY 11 HA2 GLY 11 -18.019 -0.797 -0.656 71 H ASP 12 HN ASP 12 -15.111 -2.118 -1.291 72 HA ASP 12 HA ASP 12 -13.637 -1.279 0.967 73 HB2 ASP 12 HB2 ASP 12 -11.739 -2.018 -0.232 74 HB3 ASP 12 HB3 ASP 12 -13.019 -3.048 -0.839 75 HD2 ASP 12 HD2 ASP 12 -10.477 -1.326 -2.537 76 H VAL 13 HN VAL 13 -11.790 0.432 0.663 77 HA VAL 13 HA VAL 13 -12.766 2.617 -1.045 78 HB VAL 13 HB VAL 13 -11.640 2.667 1.756 79 HG13 VAL 13 HG1 VAL 13 -11.430 5.008 1.676 80 HG21 VAL 13 HG2 VAL 13 -14.102 2.215 1.399 81 H LYS 14 HN LYS 14 -11.226 3.730 -2.265 82 HA LYS 14 HA LYS 14 -8.562 2.503 -2.202 83 HB2 LYS 14 HB2 LYS 14 -10.356 3.427 -4.390 84 HB3 LYS 14 HB3 LYS 14 -8.644 3.740 -4.600 85 HG2 LYS 14 HG2 LYS 14 -9.945 1.032 -4.058 86 HG3 LYS 14 HG3 LYS 14 -9.184 1.544 -5.551 87 HD2 LYS 14 HD2 LYS 14 -7.079 1.960 -3.921 88 HD3 LYS 14 HD3 LYS 14 -7.904 0.768 -2.934 89 HE2 LYS 14 HE2 LYS 14 -6.603 -0.636 -4.271 90 HE3 LYS 14 HE3 LYS 14 -8.076 -0.591 -5.218 91 HZ1 LYS 14 HZ1 LYS 14 -7.058 1.251 -6.522 92 HZ2 LYS 14 HZ2 LYS 14 -5.669 1.086 -5.688 93 H PHE 15 HN PHE 15 -7.177 3.708 -1.011 94 HA PHE 15 HA PHE 15 -7.297 6.608 -1.442 95 HB2 PHE 15 HB2 PHE 15 -8.123 5.936 0.823 96 HB3 PHE 15 HB3 PHE 15 -6.721 4.911 1.059 97 HD1 PHE 15 HD1 PHE 15 -7.674 8.471 0.526 98 HD2 PHE 15 HD2 PHE 15 -4.833 5.756 2.130 99 HE1 PHE 15 HE1 PHE 15 -6.460 10.380 1.610 100 HE2 PHE 15 HE2 PHE 15 -3.619 7.666 3.214 101 HZ PHE 15 HZ PHE 15 -4.447 9.956 2.942 102 HA PRO 16 HA PRO 16 -3.085 5.757 -2.621 103 HB2 PRO 16 HB2 PRO 16 -2.697 8.110 -3.956 104 HB3 PRO 16 HB3 PRO 16 -3.740 6.804 -4.606 105 HG2 PRO 16 HG2 PRO 16 -4.843 9.490 -3.326 106 HG3 PRO 16 HG3 PRO 16 -5.010 8.254 -4.616 107 HD2 PRO 16 HD2 PRO 16 -6.157 8.317 -1.882 108 HD3 PRO 16 HD3 PRO 16 -6.523 7.192 -3.225 109 H HIS 17 HN HIS 17 -2.140 5.780 -0.567 110 HA HIS 17 HA HIS 17 -1.926 8.110 1.093 111 HB2 HIS 17 HB2 HIS 17 -1.785 5.718 1.820 112 HB3 HIS 17 HB3 HIS 17 -0.165 5.599 1.008 113 HD1 HIS 17 HD1 HIS 17 1.792 6.611 2.186 114 HD2 HIS 17 HD2 HIS 17 -1.787 7.155 4.273 115 HE1 HIS 17 HE1 HIS 17 2.450 7.421 4.542 116 H LYS 18 HN LYS 18 0.568 6.488 -1.051 117 HA LYS 18 HA LYS 18 2.601 8.235 -0.724 118 HB2 LYS 18 HB2 LYS 18 3.154 6.449 -2.042 119 HB3 LYS 18 HB3 LYS 18 1.665 6.506 -2.964 120 HG2 LYS 18 HG2 LYS 18 2.444 8.510 -4.182 121 HG3 LYS 18 HG3 LYS 18 3.887 8.590 -3.193 122 HD2 LYS 18 HD2 LYS 18 4.287 6.108 -4.049 123 HD3 LYS 18 HD3 LYS 18 3.164 6.554 -5.318 124 HE2 LYS 18 HE2 LYS 18 4.704 8.698 -5.573 125 HE3 LYS 18 HE3 LYS 18 5.887 7.741 -4.704 126 HZ1 LYS 18 HZ1 LYS 18 5.779 6.061 -6.410 127 HZ2 LYS 18 HZ2 LYS 18 4.524 6.778 -7.161 128 H ALA 19 HN ALA 19 -0.474 8.759 -2.425 129 HA ALA 19 HA ALA 19 0.408 11.142 -3.726 130 HB1 ALA 19 HB1 ALA 19 -2.045 11.370 -4.207 131 HB2 ALA 19 HB2 ALA 19 -1.373 9.790 -4.679 132 HB3 ALA 19 HB3 ALA 19 -2.336 9.939 -3.190 133 H HIS 20 HN HIS 20 -1.289 10.253 -0.766 134 HA HIS 20 HA HIS 20 -1.771 13.042 0.025 135 HB2 HIS 20 HB2 HIS 20 -2.356 10.275 1.124 136 HB3 HIS 20 HB3 HIS 20 -2.436 11.712 2.231 137 HD1 HIS 20 HD1 HIS 20 -3.888 10.619 -1.099 138 HD2 HIS 20 HD2 HIS 20 -4.896 12.872 2.275 139 HE1 HIS 20 HE1 HIS 20 -6.340 11.346 -1.426 140 H GLN 21 HN GLN 21 1.053 11.513 -0.333 141 HA GLN 21 HA GLN 21 2.078 12.296 2.273 142 HB2 GLN 21 HB2 GLN 21 2.512 9.990 0.826 143 HB3 GLN 21 HB3 GLN 21 3.902 10.945 0.348 144 HG2 GLN 21 HG2 GLN 21 3.076 10.172 3.179 145 HG3 GLN 21 HG3 GLN 21 4.529 9.688 2.327 146 HE21 GLN 21 HE2 GLN 21 4.209 13.302 4.243 147 H LYS 22 HN LYS 22 1.382 13.834 -0.465 148 HA LYS 22 HA LYS 22 3.654 15.607 -0.197 149 HB2 LYS 22 HB2 LYS 22 4.184 13.857 -1.989 150 HB3 LYS 22 HB3 LYS 22 2.911 14.588 -2.944 151 HG2 LYS 22 HG2 LYS 22 4.059 16.813 -2.758 152 HG3 LYS 22 HG3 LYS 22 5.341 16.065 -1.824 153 HD2 LYS 22 HD2 LYS 22 5.926 14.598 -3.729 154 HD3 LYS 22 HD3 LYS 22 4.579 15.223 -4.661 155 HE2 LYS 22 HE2 LYS 22 6.697 17.112 -3.575 156 HE3 LYS 22 HE3 LYS 22 6.981 16.226 -5.061 157 HZ1 LYS 22 HZ1 LYS 22 5.867 18.503 -5.255 158 HZ2 LYS 22 HZ2 LYS 22 5.167 17.296 -6.096 159 H ALA 23 HN ALA 23 0.603 15.334 0.304 160 HA ALA 23 HA ALA 23 -0.111 17.784 -1.157 161 HB1 ALA 23 HB1 ALA 23 -1.313 15.662 -1.878 162 HB2 ALA 23 HB2 ALA 23 -2.020 15.601 -0.246 163 HB3 ALA 23 HB3 ALA 23 -2.369 16.981 -1.315 164 H VAL 24 HN VAL 24 1.037 16.759 1.690 165 HA VAL 24 HA VAL 24 -0.788 18.486 3.219 166 HB VAL 24 HB VAL 24 0.885 16.346 4.481 167 HG13 VAL 24 HG1 VAL 24 -1.897 17.193 5.265 168 HG21 VAL 24 HG2 VAL 24 -1.569 15.135 4.238 169 HA PRO 25 HA PRO 25 2.957 21.012 2.549 170 HB2 PRO 25 HB2 PRO 25 1.110 22.519 4.459 171 HB3 PRO 25 HB3 PRO 25 2.164 23.131 3.145 172 HG2 PRO 25 HG2 PRO 25 -0.441 22.653 2.766 173 HG3 PRO 25 HG3 PRO 25 0.601 22.344 1.338 174 HD2 PRO 25 HD2 PRO 25 -0.844 20.435 3.103 175 HD3 PRO 25 HD3 PRO 25 -0.054 20.129 1.526 176 H ASP 26 HN ASP 26 1.295 19.930 5.573 177 HA ASP 26 HA ASP 26 3.932 19.703 6.725 178 HB2 ASP 26 HB2 ASP 26 2.780 21.914 7.435 179 HB3 ASP 26 HB3 ASP 26 1.614 20.920 8.287 180 HD2 ASP 26 HD2 ASP 26 4.468 22.523 8.735 181 H CYS 27 HN CYS 27 3.816 17.420 6.856 182 HA CYS 27 HA CYS 27 1.547 15.939 7.211 183 HB2 CYS 27 HB2 CYS 27 4.134 15.365 6.760 184 HB3 CYS 27 HB3 CYS 27 4.043 14.911 8.450 185 H LYS 28 HN LYS 28 1.744 14.292 9.437 186 HA LYS 28 HA LYS 28 1.362 14.125 11.609 187 HB2 LYS 28 HB2 LYS 28 2.554 16.895 11.918 188 HB3 LYS 28 HB3 LYS 28 2.293 15.721 13.191 189 HG2 LYS 28 HG2 LYS 28 3.953 14.224 12.314 190 HG3 LYS 28 HG3 LYS 28 3.984 15.033 10.759 191 HD2 LYS 28 HD2 LYS 28 4.606 16.977 12.816 192 HD3 LYS 28 HD3 LYS 28 5.616 15.566 13.065 193 HE2 LYS 28 HE2 LYS 28 6.754 15.843 11.060 194 HE3 LYS 28 HE3 LYS 28 5.355 16.492 10.226 195 HZ1 LYS 28 HZ1 LYS 28 6.126 18.281 12.275 196 HZ2 LYS 28 HZ2 LYS 28 7.435 17.945 11.368 197 H LYS 29 HN LYS 29 -0.415 15.509 9.500 198 HA LYS 29 HA LYS 29 -2.026 17.242 11.156 199 HB2 LYS 29 HB2 LYS 29 -1.558 17.702 8.741 200 HB3 LYS 29 HB3 LYS 29 -2.488 16.280 8.317 201 HG2 LYS 29 HG2 LYS 29 -4.520 17.212 9.261 202 HG3 LYS 29 HG3 LYS 29 -3.643 18.515 10.038 203 HD2 LYS 29 HD2 LYS 29 -3.603 18.168 7.014 204 HD3 LYS 29 HD3 LYS 29 -4.895 19.044 7.811 205 HE2 LYS 29 HE2 LYS 29 -2.189 19.858 8.721 206 HE3 LYS 29 HE3 LYS 29 -2.460 20.138 7.012 207 HZ1 LYS 29 HZ1 LYS 29 -3.330 21.770 8.993 208 HZ2 LYS 29 HZ2 LYS 29 -3.928 21.776 7.479 209 H CYS 30 HN CYS 30 -2.274 14.009 9.543 210 HA CYS 30 HA CYS 30 -4.764 13.554 10.938 211 HB2 CYS 30 HB2 CYS 30 -3.536 11.369 9.346 212 HB3 CYS 30 HB3 CYS 30 -5.199 11.917 9.414 213 H HIS 31 HN HIS 31 -1.537 12.085 10.536 214 HA HIS 31 HA HIS 31 -1.754 10.129 12.601 215 HB2 HIS 31 HB2 HIS 31 0.612 11.512 11.236 216 HB3 HIS 31 HB3 HIS 31 0.803 10.176 12.452 217 HD1 HIS 31 HD1 HIS 31 -0.701 7.976 11.698 218 HD2 HIS 31 HD2 HIS 31 0.640 10.559 8.699 219 HE1 HIS 31 HE1 HIS 31 -0.746 6.619 9.507 220 H GLU 32 HN GLU 32 -0.788 13.605 12.648 221 HA GLU 32 HA GLU 32 -0.986 14.960 14.402 222 HB2 GLU 32 HB2 GLU 32 -2.227 12.921 15.575 223 HB3 GLU 32 HB3 GLU 32 -0.715 12.751 16.445 224 HG2 GLU 32 HG2 GLU 32 -1.086 15.460 16.675 225 HG3 GLU 32 HG3 GLU 32 -2.757 14.934 16.593 226 HE2 GLU 32 HE2 GLU 32 -2.726 14.889 19.689 227 H LYS 33 HN LYS 33 1.147 12.075 14.963 228 HA LYS 33 HA LYS 33 3.512 13.331 14.479 229 HB2 LYS 33 HB2 LYS 33 4.337 13.675 16.886 230 HB3 LYS 33 HB3 LYS 33 3.324 14.916 16.177 231 HG2 LYS 33 HG2 LYS 33 1.343 14.056 17.344 232 HG3 LYS 33 HG3 LYS 33 2.232 12.660 17.920 233 HD2 LYS 33 HD2 LYS 33 3.785 14.866 18.763 234 HD3 LYS 33 HD3 LYS 33 2.130 15.383 19.022 235 HE2 LYS 33 HE2 LYS 33 2.522 14.269 21.033 236 HE3 LYS 33 HE3 LYS 33 1.846 12.955 20.090 237 HZ1 LYS 33 HZ1 LYS 33 4.141 12.678 21.311 238 HZ2 LYS 33 HZ2 LYS 33 3.911 11.974 19.861 239 H GLY 34 HN GLY 34 3.545 11.165 13.560 240 HA2 GLY 34 HA1 GLY 34 5.143 9.342 14.313 241 HA3 GLY 34 HA2 GLY 34 3.956 9.037 15.565 242 HA PRO 35 HA PRO 35 2.724 7.315 11.209 243 HB2 PRO 35 HB2 PRO 35 4.542 5.333 10.651 244 HB3 PRO 35 HB3 PRO 35 4.797 7.045 10.182 245 HG2 PRO 35 HG2 PRO 35 5.942 5.532 12.677 246 HG3 PRO 35 HG3 PRO 35 6.666 6.567 11.403 247 HD2 PRO 35 HD2 PRO 35 5.796 7.476 13.912 248 HD3 PRO 35 HD3 PRO 35 5.891 8.508 12.452 249 H GLY 36 HN GLY 36 2.917 4.434 10.878 250 HA2 GLY 36 HA1 GLY 36 2.318 2.462 11.847 251 HA3 GLY 36 HA2 GLY 36 2.377 3.207 13.432 252 H LYS 37 HN LYS 37 0.309 1.703 13.454 253 HA LYS 37 HA LYS 37 -1.978 2.447 12.076 254 HB2 LYS 37 HB2 LYS 37 -1.348 0.863 14.520 255 HB3 LYS 37 HB3 LYS 37 -3.008 1.389 14.323 256 HG2 LYS 37 HG2 LYS 37 -1.374 -0.187 12.279 257 HG3 LYS 37 HG3 LYS 37 -2.668 -0.826 13.273 258 HD2 LYS 37 HD2 LYS 37 -4.035 1.216 12.139 259 HD3 LYS 37 HD3 LYS 37 -2.828 1.002 10.886 260 HE2 LYS 37 HE2 LYS 37 -3.950 -0.801 10.095 261 HE3 LYS 37 HE3 LYS 37 -3.729 -1.623 11.626 262 HZ1 LYS 37 HZ1 LYS 37 -6.109 -1.249 10.944 263 HZ2 LYS 37 HZ2 LYS 37 -5.762 -0.701 12.437 264 H ILE 38 HN ILE 38 -3.785 3.768 12.619 265 HA ILE 38 HA ILE 38 -3.008 6.039 14.251 266 HB ILE 38 HB ILE 38 -5.020 5.507 12.115 267 HG12 ILE 38 HG1 ILE 38 -2.762 7.413 12.623 268 HG23 ILE 38 HG2 ILE 38 -6.182 7.599 12.590 269 HD11 ILE 38 HD1 ILE 38 -5.160 7.857 10.794 270 H GLU 39 HN GLU 39 -4.067 6.697 16.130 271 HA GLU 39 HA GLU 39 -4.834 5.031 17.942 272 HB2 GLU 39 HB2 GLU 39 -6.166 6.778 19.001 273 HB3 GLU 39 HB3 GLU 39 -4.799 7.519 18.191 274 HG2 GLU 39 HG2 GLU 39 -6.626 7.585 16.153 275 HG3 GLU 39 HG3 GLU 39 -7.715 7.672 17.524 276 HE2 GLU 39 HE2 GLU 39 -6.814 9.672 15.581 277 H GLY 40 HN GLY 40 -5.889 3.110 17.345 278 HA2 GLY 40 HA1 GLY 40 -7.540 1.852 16.323 279 HA3 GLY 40 HA2 GLY 40 -8.399 2.570 17.672 280 H PHE 41 HN PHE 41 -7.690 2.865 14.167 281 HA PHE 41 HA PHE 41 -9.262 5.088 13.643 282 HB2 PHE 41 HB2 PHE 41 -7.608 3.944 12.107 283 HB3 PHE 41 HB3 PHE 41 -8.652 2.540 12.026 284 HD1 PHE 41 HD1 PHE 41 -11.141 3.107 11.222 285 HD2 PHE 41 HD2 PHE 41 -7.707 5.447 10.365 286 HE1 PHE 41 HE1 PHE 41 -12.308 4.089 9.228 287 HE2 PHE 41 HE2 PHE 41 -8.874 6.429 8.372 288 HZ PHE 41 HZ PHE 41 -11.160 5.739 7.827 289 H GLY 42 HN GLY 42 -11.410 5.293 12.733 290 HA2 GLY 42 HA1 GLY 42 -13.153 2.949 13.010 291 HA3 GLY 42 HA2 GLY 42 -13.511 4.371 13.968 292 H LYS 43 HN LYS 43 -15.443 3.565 12.201 293 HA LYS 43 HA LYS 43 -15.130 4.753 9.641 294 HB2 LYS 43 HB2 LYS 43 -17.772 4.069 10.920 295 HB3 LYS 43 HB3 LYS 43 -17.321 4.018 9.227 296 HG2 LYS 43 HG2 LYS 43 -16.368 2.144 11.437 297 HG3 LYS 43 HG3 LYS 43 -17.378 1.731 10.066 298 HD2 LYS 43 HD2 LYS 43 -15.537 1.281 8.827 299 HD3 LYS 43 HD3 LYS 43 -14.998 2.938 9.007 300 HE2 LYS 43 HE2 LYS 43 -13.344 1.199 9.847 301 HE3 LYS 43 HE3 LYS 43 -13.765 2.426 11.027 302 HZ1 LYS 43 HZ1 LYS 43 -15.190 -0.171 10.917 303 HZ2 LYS 43 HZ2 LYS 43 -13.856 0.039 11.828 304 H GLU 44 HN GLU 44 -16.945 5.663 12.649 305 HA GLU 44 HA GLU 44 -18.059 7.947 11.778 306 HB2 GLU 44 HB2 GLU 44 -18.357 6.916 14.041 307 HB3 GLU 44 HB3 GLU 44 -16.776 7.508 14.511 308 HG2 GLU 44 HG2 GLU 44 -18.867 8.938 15.153 309 HG3 GLU 44 HG3 GLU 44 -17.464 9.769 14.512 310 HE2 GLU 44 HE2 GLU 44 -20.390 8.337 13.626 311 H MET 45 HN MET 45 -14.648 7.378 12.710 312 HA MET 45 HA MET 45 -13.941 10.085 12.752 313 HB2 MET 45 HB2 MET 45 -12.740 7.551 13.258 314 HB3 MET 45 HB3 MET 45 -11.779 8.237 11.964 315 HG2 MET 45 HG2 MET 45 -10.672 9.304 13.670 316 HG3 MET 45 HG3 MET 45 -12.008 10.435 13.593 317 HE1 MET 45 HE1 MET 45 -10.975 9.526 17.388 318 HE2 MET 45 HE2 MET 45 -9.990 8.638 16.202 319 HE3 MET 45 HE3 MET 45 -10.371 10.357 15.935 320 H ALA 46 HN ALA 46 -13.879 7.524 10.215 321 HA ALA 46 HA ALA 46 -12.416 8.818 8.292 322 HB1 ALA 46 HB1 ALA 46 -14.801 7.376 7.306 323 HB2 ALA 46 HB2 ALA 46 -13.073 7.057 7.023 324 HB3 ALA 46 HB3 ALA 46 -13.852 6.477 8.514 325 H HIS 47 HN HIS 47 -15.973 8.779 8.593 326 HA HIS 47 HA HIS 47 -16.409 10.884 6.683 327 HB2 HIS 47 HB2 HIS 47 -18.268 9.947 8.933 328 HB3 HIS 47 HB3 HIS 47 -18.719 10.755 7.371 329 HD1 HIS 47 HD1 HIS 47 -19.307 7.777 8.751 330 HD2 HIS 47 HD2 HIS 47 -17.262 8.740 5.234 331 HE1 HIS 47 HE1 HIS 47 -19.404 5.674 7.264 332 H GLY 48 HN GLY 48 -15.086 10.958 9.845 333 HA2 GLY 48 HA1 GLY 48 -16.173 13.542 10.585 334 HA3 GLY 48 HA2 GLY 48 -14.992 12.584 11.455 335 H LYS 49 HN LYS 49 -13.252 13.948 11.731 336 HA LYS 49 HA LYS 49 -12.343 15.420 9.371 337 HB2 LYS 49 HB2 LYS 49 -12.384 15.950 12.270 338 HB3 LYS 49 HB3 LYS 49 -10.863 16.345 11.495 339 HG2 LYS 49 HG2 LYS 49 -12.205 17.607 9.712 340 HG3 LYS 49 HG3 LYS 49 -13.632 17.351 10.697 341 HD2 LYS 49 HD2 LYS 49 -11.110 18.675 11.786 342 HD3 LYS 49 HD3 LYS 49 -12.398 19.590 11.029 343 HE2 LYS 49 HE2 LYS 49 -13.929 18.215 12.763 344 HE3 LYS 49 HE3 LYS 49 -12.422 18.085 13.645 345 HZ1 LYS 49 HZ1 LYS 49 -13.959 20.162 13.971 346 HZ2 LYS 49 HZ2 LYS 49 -12.343 20.363 13.972 347 H GLY 50 HN GLY 50 -11.875 12.800 9.008 348 HA2 GLY 50 HA1 GLY 50 -8.975 12.660 9.255 349 HA3 GLY 50 HA2 GLY 50 -9.882 11.398 10.065 350 H CYS 51 HN CYS 51 -11.163 12.943 7.128 351 HA CYS 51 HA CYS 51 -10.018 11.259 5.247 352 HB2 CYS 51 HB2 CYS 51 -11.590 9.709 6.778 353 HB3 CYS 51 HB3 CYS 51 -12.800 10.290 5.650 354 H LYS 52 HN LYS 52 -13.456 12.214 5.992 355 HA LYS 52 HA LYS 52 -13.535 13.648 3.472 356 HB2 LYS 52 HB2 LYS 52 -15.359 12.107 4.052 357 HB3 LYS 52 HB3 LYS 52 -15.702 13.029 5.502 358 HG2 LYS 52 HG2 LYS 52 -15.605 14.790 3.163 359 HG3 LYS 52 HG3 LYS 52 -16.744 13.483 2.902 360 HD2 LYS 52 HD2 LYS 52 -16.805 14.896 5.568 361 HD3 LYS 52 HD3 LYS 52 -17.456 15.742 4.178 362 HE2 LYS 52 HE2 LYS 52 -18.757 13.481 3.724 363 HE3 LYS 52 HE3 LYS 52 -18.393 13.128 5.401 364 HZ1 LYS 52 HZ1 LYS 52 -20.424 14.771 4.460 365 HZ2 LYS 52 HZ2 LYS 52 -20.015 14.533 6.018 366 H GLY 53 HN GLY 53 -14.310 14.305 6.965 367 HA2 GLY 53 HA1 GLY 53 -14.858 16.873 7.074 368 HA3 GLY 53 HA2 GLY 53 -13.704 16.152 8.179 369 H CYS 54 HN CYS 54 -11.491 15.625 6.520 370 HA CYS 54 HA CYS 54 -10.190 18.023 6.517 371 HB2 CYS 54 HB2 CYS 54 -9.554 15.364 5.902 372 HB3 CYS 54 HB3 CYS 54 -9.159 16.250 4.444 373 H HIS 55 HN HIS 55 -11.215 16.196 3.620 374 HA HIS 55 HA HIS 55 -10.857 18.136 1.662 375 HB2 HIS 55 HB2 HIS 55 -13.196 16.158 1.759 376 HB3 HIS 55 HB3 HIS 55 -12.370 16.852 0.298 377 HD1 HIS 55 HD1 HIS 55 -12.707 13.812 1.759 378 HD2 HIS 55 HD2 HIS 55 -9.296 16.014 0.761 379 HE1 HIS 55 HE1 HIS 55 -10.788 12.105 1.538 380 H GLU 56 HN GLU 56 -13.774 17.674 3.798 381 HA GLU 56 HA GLU 56 -15.314 19.616 2.619 382 HB2 GLU 56 HB2 GLU 56 -16.354 18.143 4.176 383 HB3 GLU 56 HB3 GLU 56 -15.184 18.493 5.433 384 HG2 GLU 56 HG2 GLU 56 -16.048 20.884 5.489 385 HG3 GLU 56 HG3 GLU 56 -17.294 20.416 4.349 386 HE2 GLU 56 HE2 GLU 56 -16.505 18.502 7.510 387 H GLU 57 HN GLU 57 -12.504 19.866 4.738 388 HA GLU 57 HA GLU 57 -13.077 22.665 5.207 389 HB2 GLU 57 HB2 GLU 57 -10.981 20.763 6.326 390 HB3 GLU 57 HB3 GLU 57 -10.961 22.484 6.658 391 HG2 GLU 57 HG2 GLU 57 -13.194 22.369 7.684 392 HG3 GLU 57 HG3 GLU 57 -13.368 20.690 7.216 393 HE2 GLU 57 HE2 GLU 57 -11.545 19.179 8.700 394 H MET 58 HN MET 58 -10.477 20.514 3.869 395 HA MET 58 HA MET 58 -8.874 22.601 2.994 396 HB2 MET 58 HB2 MET 58 -8.805 19.787 3.063 397 HB3 MET 58 HB3 MET 58 -8.829 20.125 1.343 398 HG2 MET 58 HG2 MET 58 -6.830 21.496 1.487 399 HG3 MET 58 HG3 MET 58 -6.897 21.533 3.238 400 HE1 MET 58 HE1 MET 58 -4.170 19.233 3.798 401 HE2 MET 58 HE2 MET 58 -4.892 20.857 3.894 402 HE3 MET 58 HE3 MET 58 -5.638 19.498 4.768 403 H LYS 59 HN LYS 59 -11.889 21.353 1.787 404 HA LYS 59 HA LYS 59 -13.129 21.855 0.032 405 HB2 LYS 59 HB2 LYS 59 -12.585 24.183 0.701 406 HB3 LYS 59 HB3 LYS 59 -11.214 24.168 -0.390 407 HG2 LYS 59 HG2 LYS 59 -12.602 24.822 -2.058 408 HG3 LYS 59 HG3 LYS 59 -13.381 23.254 -1.967 409 HD2 LYS 59 HD2 LYS 59 -14.943 24.118 -0.223 410 HD3 LYS 59 HD3 LYS 59 -14.149 25.679 -0.273 411 HE2 LYS 59 HE2 LYS 59 -15.545 26.288 -1.953 412 HE3 LYS 59 HE3 LYS 59 -14.781 25.093 -2.980 413 HZ1 LYS 59 HZ1 LYS 59 -17.238 24.798 -2.692 414 HZ2 LYS 59 HZ2 LYS 59 -16.389 23.466 -2.296 415 H LYS 60 HN LYS 60 -10.603 20.125 -0.091 416 HA LYS 60 HA LYS 60 -10.613 19.930 -3.000 417 HB2 LYS 60 HB2 LYS 60 -8.101 19.499 -2.879 418 HB3 LYS 60 HB3 LYS 60 -8.638 21.162 -2.755 419 HG2 LYS 60 HG2 LYS 60 -8.419 21.105 -0.300 420 HG3 LYS 60 HG3 LYS 60 -8.041 19.394 -0.337 421 HD2 LYS 60 HD2 LYS 60 -5.966 20.694 -0.104 422 HD3 LYS 60 HD3 LYS 60 -5.972 19.868 -1.650 423 HE2 LYS 60 HE2 LYS 60 -7.255 22.406 -2.060 424 HE3 LYS 60 HE3 LYS 60 -5.805 22.715 -1.126 425 HZ1 LYS 60 HZ1 LYS 60 -5.868 21.159 -3.658 426 HZ2 LYS 60 HZ2 LYS 60 -5.352 22.698 -3.524 427 H GLY 61 HN GLY 61 -10.923 17.859 -3.663 428 HA2 GLY 61 HA1 GLY 61 -10.191 15.537 -3.344 429 HA3 GLY 61 HA2 GLY 61 -10.513 15.742 -1.634 430 HA PRO 62 HA PRO 62 -14.368 14.275 -3.914 431 HB2 PRO 62 HB2 PRO 62 -13.882 11.543 -3.012 432 HB3 PRO 62 HB3 PRO 62 -13.888 12.198 -4.682 433 HG2 PRO 62 HG2 PRO 62 -11.896 11.273 -3.316 434 HG3 PRO 62 HG3 PRO 62 -11.243 12.178 -4.720 435 HD2 PRO 62 HD2 PRO 62 -11.357 12.939 -1.859 436 HD3 PRO 62 HD3 PRO 62 -10.512 13.766 -3.203 437 H THR 63 HN THR 63 -16.369 14.005 -2.777 438 HA THR 63 HA THR 63 -16.063 13.540 0.116 439 HB THR 63 HB THR 63 -18.063 15.228 0.210 440 HG1 THR 63 HG1 THR 63 -16.774 15.855 -2.348 441 HG21 THR 63 HG2 THR 63 -16.428 17.232 -0.358 442 H LYS 64 HN LYS 64 -17.926 13.087 -2.881 443 HA LYS 64 HA LYS 64 -20.169 11.899 -1.770 444 HB2 LYS 64 HB2 LYS 64 -18.799 11.629 -4.449 445 HB3 LYS 64 HB3 LYS 64 -20.266 10.750 -4.071 446 HG2 LYS 64 HG2 LYS 64 -20.332 13.655 -3.385 447 HG3 LYS 64 HG3 LYS 64 -20.212 13.305 -5.098 448 HD2 LYS 64 HD2 LYS 64 -22.346 12.472 -5.211 449 HD3 LYS 64 HD3 LYS 64 -22.190 11.596 -3.701 450 HE2 LYS 64 HE2 LYS 64 -23.085 13.313 -2.459 451 HE3 LYS 64 HE3 LYS 64 -22.236 14.550 -3.365 452 HZ1 LYS 64 HZ1 LYS 64 -24.671 13.124 -4.299 453 HZ2 LYS 64 HZ2 LYS 64 -24.619 14.667 -3.782 454 H CYS 65 HN CYS 65 -20.774 9.557 -1.787 455 HA CYS 65 HA CYS 65 -18.846 8.106 -0.339 456 HB2 CYS 65 HB2 CYS 65 -21.145 6.657 -1.521 457 HB3 CYS 65 HB3 CYS 65 -20.506 6.631 0.111 458 H GLY 66 HN GLY 66 -20.446 7.548 -3.570 459 HA2 GLY 66 HA1 GLY 66 -19.037 5.393 -4.452 460 HA3 GLY 66 HA2 GLY 66 -19.630 6.680 -5.485 461 H GLU 67 HN GLU 67 -17.835 8.656 -3.862 462 HA GLU 67 HA GLU 67 -15.632 8.395 -5.629 463 HB2 GLU 67 HB2 GLU 67 -16.292 10.371 -3.407 464 HB3 GLU 67 HB3 GLU 67 -14.837 10.489 -4.378 465 HG2 GLU 67 HG2 GLU 67 -17.579 10.299 -5.683 466 HG3 GLU 67 HG3 GLU 67 -16.945 11.839 -5.138 467 HE2 GLU 67 HE2 GLU 67 -15.946 12.217 -8.161 468 H CYS 68 HN CYS 68 -16.368 7.586 -2.263 469 HA CYS 68 HA CYS 68 -13.544 7.009 -1.802 470 HB2 CYS 68 HB2 CYS 68 -15.811 7.773 -0.047 471 HB3 CYS 68 HB3 CYS 68 -14.734 6.553 0.605 472 H HIS 69 HN HIS 69 -16.852 5.728 -1.578 473 HA HIS 69 HA HIS 69 -15.835 2.945 -1.308 474 HB2 HIS 69 HB2 HIS 69 -18.657 4.140 -1.132 475 HB3 HIS 69 HB3 HIS 69 -18.219 2.401 -0.848 476 HD1 HIS 69 HD1 HIS 69 -16.373 2.156 1.161 477 HD2 HIS 69 HD2 HIS 69 -18.792 5.565 1.176 478 HE1 HIS 69 HE1 HIS 69 -16.315 3.068 3.570 479 H LYS 70 HN LYS 70 -16.453 1.252 -2.785 480 HA LYS 70 HA LYS 70 -17.667 2.114 -5.281 481 HB2 LYS 70 HB2 LYS 70 -15.391 2.539 -5.801 482 HB3 LYS 70 HB3 LYS 70 -14.845 1.065 -5.027 483 HG2 LYS 70 HG2 LYS 70 -16.208 -0.247 -6.746 484 HG3 LYS 70 HG3 LYS 70 -16.523 1.267 -7.569 485 HD2 LYS 70 HD2 LYS 70 -14.067 1.634 -7.849 486 HD3 LYS 70 HD3 LYS 70 -13.742 0.131 -7.009 487 HE2 LYS 70 HE2 LYS 70 -15.568 -0.642 -8.993 488 HE3 LYS 70 HE3 LYS 70 -14.594 0.568 -9.806 489 HZ1 LYS 70 HZ1 LYS 70 -12.604 -0.704 -8.919 490 HZ2 LYS 70 HZ2 LYS 70 -13.619 -1.902 -8.491 491 H LYS 71 HN LYS 71 -19.240 0.684 -5.757 492 HA LYS 71 HA LYS 71 -19.123 -1.911 -4.452 493 HB2 LYS 71 HB2 LYS 71 -21.142 -0.347 -4.372 494 HB3 LYS 71 HB3 LYS 71 -21.406 -0.745 -6.057 495 HG2 LYS 71 HG2 LYS 71 -22.196 -2.836 -5.568 496 HG3 LYS 71 HG3 LYS 71 -20.932 -3.143 -4.395 497 HD2 LYS 71 HD2 LYS 71 -22.137 -2.137 -2.623 498 HD3 LYS 71 HD3 LYS 71 -23.129 -1.177 -3.703 499 HE2 LYS 71 HE2 LYS 71 -23.602 -3.932 -4.369 500 HE3 LYS 71 HE3 LYS 71 -23.665 -3.816 -2.621 501 HZ1 LYS 71 HZ1 LYS 71 -25.324 -2.092 -2.800 502 HZ2 LYS 71 HZ2 LYS 71 -25.171 -1.992 -4.419 Start of MODEL 8 1 H1 ALA 1 HN ALA 1 4.584 1.571 -1.477 2 HA ALA 1 HA ALA 1 2.145 0.217 -0.612 3 HB1 ALA 1 HB1 ALA 1 2.441 1.012 1.677 4 HB2 ALA 1 HB2 ALA 1 3.840 0.015 1.211 5 HB3 ALA 1 HB3 ALA 1 3.981 1.790 1.239 6 H ASP 2 HN ASP 2 2.311 1.901 -2.804 7 HA ASP 2 HA ASP 2 1.721 4.548 -1.841 8 HB2 ASP 2 HB2 ASP 2 1.407 4.948 -4.389 9 HB3 ASP 2 HB3 ASP 2 3.025 4.602 -3.814 10 HD2 ASP 2 HD2 ASP 2 2.007 4.074 -6.500 11 H ASP 3 HN ASP 3 -0.076 2.261 -1.175 12 HA ASP 3 HA ASP 3 -2.496 3.450 -2.005 13 HB2 ASP 3 HB2 ASP 3 -1.563 0.866 -3.244 14 HB3 ASP 3 HB3 ASP 3 -3.257 0.983 -2.811 15 HD2 ASP 3 HD2 ASP 3 -3.927 3.396 -3.528 16 H ILE 4 HN ILE 4 -3.900 3.137 -0.251 17 HA ILE 4 HA ILE 4 -3.361 0.807 1.456 18 HB ILE 4 HB ILE 4 -4.105 3.609 2.303 19 HG12 ILE 4 HG1 ILE 4 -1.527 2.076 2.260 20 HG23 ILE 4 HG2 ILE 4 -4.989 1.446 3.571 21 HD11 ILE 4 HD1 ILE 4 -0.874 4.116 3.892 22 H VAL 5 HN VAL 5 -5.000 -0.612 1.229 23 HA VAL 5 HA VAL 5 -7.613 0.427 0.488 24 HB VAL 5 HB VAL 5 -6.534 -2.392 0.697 25 HG13 VAL 5 HG1 VAL 5 -9.164 -1.685 0.796 26 HG21 VAL 5 HG2 VAL 5 -7.015 -0.658 -1.750 27 H LEU 6 HN LEU 6 -9.265 0.665 1.916 28 HA LEU 6 HA LEU 6 -8.795 -0.391 4.608 29 HB2 LEU 6 HB2 LEU 6 -10.657 1.814 3.717 30 HB3 LEU 6 HB3 LEU 6 -10.327 1.325 5.367 31 HG LEU 6 HG LEU 6 -8.062 2.253 3.626 32 HD13 LEU 6 HD1 LEU 6 -9.331 4.109 3.220 33 HD21 LEU 6 HD2 LEU 6 -7.237 3.098 5.841 34 H LYS 7 HN LYS 7 -9.455 -2.564 4.020 35 HA LYS 7 HA LYS 7 -11.619 -3.392 2.708 36 HB2 LYS 7 HB2 LYS 7 -10.326 -4.397 5.232 37 HB3 LYS 7 HB3 LYS 7 -11.740 -5.208 4.590 38 HG2 LYS 7 HG2 LYS 7 -10.426 -5.142 2.292 39 HG3 LYS 7 HG3 LYS 7 -9.019 -4.857 3.297 40 HD2 LYS 7 HD2 LYS 7 -10.767 -7.082 4.232 41 HD3 LYS 7 HD3 LYS 7 -10.021 -7.356 2.670 42 HE2 LYS 7 HE2 LYS 7 -7.886 -7.472 3.549 43 HE3 LYS 7 HE3 LYS 7 -8.196 -6.240 4.755 44 HZ1 LYS 7 HZ1 LYS 7 -9.592 -7.964 5.927 45 HZ2 LYS 7 HZ2 LYS 7 -9.025 -9.084 4.889 46 H ALA 8 HN ALA 8 -13.752 -2.946 2.699 47 HA ALA 8 HA ALA 8 -14.938 -2.120 5.258 48 HB1 ALA 8 HB1 ALA 8 -15.382 -0.115 4.350 49 HB2 ALA 8 HB2 ALA 8 -14.629 -0.614 2.816 50 HB3 ALA 8 HB3 ALA 8 -16.359 -0.921 3.100 51 H LYS 9 HN LYS 9 -17.465 -2.314 5.075 52 HA LYS 9 HA LYS 9 -17.949 -4.980 4.017 53 HB2 LYS 9 HB2 LYS 9 -18.483 -4.033 6.437 54 HB3 LYS 9 HB3 LYS 9 -19.942 -3.458 5.657 55 HG2 LYS 9 HG2 LYS 9 -20.616 -5.674 5.022 56 HG3 LYS 9 HG3 LYS 9 -19.021 -6.337 5.316 57 HD2 LYS 9 HD2 LYS 9 -19.920 -5.103 7.765 58 HD3 LYS 9 HD3 LYS 9 -21.229 -6.100 7.161 59 HE2 LYS 9 HE2 LYS 9 -18.495 -7.326 7.054 60 HE3 LYS 9 HE3 LYS 9 -19.158 -7.078 8.655 61 HZ1 LYS 9 HZ1 LYS 9 -20.940 -8.283 6.674 62 HZ2 LYS 9 HZ2 LYS 9 -19.735 -9.224 7.235 63 H ASN 10 HN ASN 10 -19.252 -1.609 3.867 64 HA ASN 10 HA ASN 10 -21.197 -2.334 1.962 65 HB2 ASN 10 HB2 ASN 10 -21.939 -0.172 2.279 66 HB3 ASN 10 HB3 ASN 10 -20.810 -0.165 3.619 67 HD21 ASN 10 HD2 ASN 10 -18.811 2.344 2.354 68 H GLY 11 HN GLY 11 -17.796 -1.858 1.886 69 HA2 GLY 11 HA1 GLY 11 -17.148 -2.454 -0.578 70 HA3 GLY 11 HA2 GLY 11 -17.733 -0.825 -0.854 71 H ASP 12 HN ASP 12 -14.935 -2.228 -0.855 72 HA ASP 12 HA ASP 12 -13.496 -1.145 1.253 73 HB2 ASP 12 HB2 ASP 12 -12.497 -1.730 -1.572 74 HB3 ASP 12 HB3 ASP 12 -11.512 -1.650 -0.125 75 HD2 ASP 12 HD2 ASP 12 -12.945 -3.921 -2.094 76 H VAL 13 HN VAL 13 -11.734 0.619 0.953 77 HA VAL 13 HA VAL 13 -12.728 2.706 -0.863 78 HB VAL 13 HB VAL 13 -11.772 2.796 1.981 79 HG13 VAL 13 HG1 VAL 13 -10.541 4.617 1.564 80 HG21 VAL 13 HG2 VAL 13 -14.111 2.694 1.875 81 H LYS 14 HN LYS 14 -11.282 3.504 -2.325 82 HA LYS 14 HA LYS 14 -8.599 2.389 -2.199 83 HB2 LYS 14 HB2 LYS 14 -9.809 2.087 -4.272 84 HB3 LYS 14 HB3 LYS 14 -10.134 3.804 -4.395 85 HG2 LYS 14 HG2 LYS 14 -8.257 3.375 -5.841 86 HG3 LYS 14 HG3 LYS 14 -7.612 4.202 -4.438 87 HD2 LYS 14 HD2 LYS 14 -6.182 2.472 -4.124 88 HD3 LYS 14 HD3 LYS 14 -7.554 1.445 -3.754 89 HE2 LYS 14 HE2 LYS 14 -7.294 1.845 -6.652 90 HE3 LYS 14 HE3 LYS 14 -5.810 1.208 -5.972 91 HZ1 LYS 14 HZ1 LYS 14 -6.996 -0.642 -5.069 92 HZ2 LYS 14 HZ2 LYS 14 -8.457 0.010 -5.374 93 H PHE 15 HN PHE 15 -7.465 3.561 -0.661 94 HA PHE 15 HA PHE 15 -7.385 6.458 -1.134 95 HB2 PHE 15 HB2 PHE 15 -8.264 5.408 1.102 96 HB3 PHE 15 HB3 PHE 15 -6.625 4.848 1.370 97 HD1 PHE 15 HD1 PHE 15 -7.560 8.108 -0.115 98 HD2 PHE 15 HD2 PHE 15 -6.104 6.078 3.315 99 HE1 PHE 15 HE1 PHE 15 -6.979 10.310 0.942 100 HE2 PHE 15 HE2 PHE 15 -5.524 8.279 4.372 101 HZ PHE 15 HZ PHE 15 -5.968 10.368 3.172 102 HA PRO 16 HA PRO 16 -3.176 5.422 -2.244 103 HB2 PRO 16 HB2 PRO 16 -2.761 7.640 -3.788 104 HB3 PRO 16 HB3 PRO 16 -3.787 6.273 -4.332 105 HG2 PRO 16 HG2 PRO 16 -4.901 9.058 -3.356 106 HG3 PRO 16 HG3 PRO 16 -5.090 7.698 -4.511 107 HD2 PRO 16 HD2 PRO 16 -6.226 8.062 -1.795 108 HD3 PRO 16 HD3 PRO 16 -6.618 6.812 -3.014 109 H HIS 17 HN HIS 17 -2.130 5.635 -0.287 110 HA HIS 17 HA HIS 17 -2.005 8.060 1.242 111 HB2 HIS 17 HB2 HIS 17 -1.711 5.713 2.081 112 HB3 HIS 17 HB3 HIS 17 -0.101 5.654 1.242 113 HD1 HIS 17 HD1 HIS 17 1.813 6.810 2.341 114 HD2 HIS 17 HD2 HIS 17 -1.764 7.301 4.448 115 HE1 HIS 17 HE1 HIS 17 2.459 7.785 4.638 116 H LYS 18 HN LYS 18 0.512 6.463 -0.893 117 HA LYS 18 HA LYS 18 2.470 8.304 -0.718 118 HB2 LYS 18 HB2 LYS 18 3.023 6.482 -2.000 119 HB3 LYS 18 HB3 LYS 18 1.511 6.488 -2.887 120 HG2 LYS 18 HG2 LYS 18 3.246 7.216 -4.416 121 HG3 LYS 18 HG3 LYS 18 2.254 8.613 -4.049 122 HD2 LYS 18 HD2 LYS 18 3.982 9.719 -3.048 123 HD3 LYS 18 HD3 LYS 18 4.456 8.312 -2.118 124 HE2 LYS 18 HE2 LYS 18 5.863 7.479 -3.837 125 HE3 LYS 18 HE3 LYS 18 5.041 8.385 -5.091 126 HZ1 LYS 18 HZ1 LYS 18 7.205 9.370 -4.471 127 HZ2 LYS 18 HZ2 LYS 18 5.992 10.424 -4.202 128 H ALA 19 HN ALA 19 -0.703 8.670 -2.253 129 HA ALA 19 HA ALA 19 0.021 11.027 -3.691 130 HB1 ALA 19 HB1 ALA 19 -1.811 9.408 -4.312 131 HB2 ALA 19 HB2 ALA 19 -2.733 9.997 -2.908 132 HB3 ALA 19 HB3 ALA 19 -2.333 11.107 -4.240 133 H HIS 20 HN HIS 20 -1.651 10.228 -0.669 134 HA HIS 20 HA HIS 20 -2.021 13.052 0.060 135 HB2 HIS 20 HB2 HIS 20 -2.743 10.334 1.196 136 HB3 HIS 20 HB3 HIS 20 -2.751 11.785 2.290 137 HD1 HIS 20 HD1 HIS 20 -4.138 11.024 -1.168 138 HD2 HIS 20 HD2 HIS 20 -5.266 12.775 2.455 139 HE1 HIS 20 HE1 HIS 20 -6.577 11.799 -1.474 140 H GLN 21 HN GLN 21 0.744 11.456 -0.271 141 HA GLN 21 HA GLN 21 1.782 12.186 2.345 142 HB2 GLN 21 HB2 GLN 21 2.144 9.859 1.062 143 HB3 GLN 21 HB3 GLN 21 3.441 10.745 0.285 144 HG2 GLN 21 HG2 GLN 21 4.584 11.131 2.342 145 HG3 GLN 21 HG3 GLN 21 3.157 10.810 3.307 146 HE21 GLN 21 HE2 GLN 21 5.803 7.934 2.765 147 H LYS 22 HN LYS 22 1.511 13.261 -0.913 148 HA LYS 22 HA LYS 22 3.811 15.048 -0.527 149 HB2 LYS 22 HB2 LYS 22 4.073 13.470 -2.410 150 HB3 LYS 22 HB3 LYS 22 2.589 14.069 -3.124 151 HG2 LYS 22 HG2 LYS 22 3.574 16.365 -3.257 152 HG3 LYS 22 HG3 LYS 22 5.058 15.772 -2.536 153 HD2 LYS 22 HD2 LYS 22 4.023 14.357 -4.992 154 HD3 LYS 22 HD3 LYS 22 4.749 15.938 -5.205 155 HE2 LYS 22 HE2 LYS 22 6.348 14.219 -3.416 156 HE3 LYS 22 HE3 LYS 22 6.126 13.495 -4.996 157 HZ1 LYS 22 HZ1 LYS 22 7.077 16.282 -4.608 158 HZ2 LYS 22 HZ2 LYS 22 8.072 15.019 -4.860 159 H ALA 23 HN ALA 23 0.358 14.696 -0.869 160 HA ALA 23 HA ALA 23 -0.127 17.340 -1.814 161 HB1 ALA 23 HB1 ALA 23 -1.890 15.249 -0.474 162 HB2 ALA 23 HB2 ALA 23 -2.483 16.765 -1.193 163 HB3 ALA 23 HB3 ALA 23 -1.713 15.535 -2.222 164 H VAL 24 HN VAL 24 1.164 16.172 1.059 165 HA VAL 24 HA VAL 24 0.160 18.529 2.492 166 HB VAL 24 HB VAL 24 0.944 16.096 4.012 167 HG13 VAL 24 HG1 VAL 24 -1.086 18.322 4.336 168 HG21 VAL 24 HG2 VAL 24 -1.755 16.346 2.639 169 HA PRO 25 HA PRO 25 4.351 19.879 1.997 170 HB2 PRO 25 HB2 PRO 25 3.480 21.057 4.677 171 HB3 PRO 25 HB3 PRO 25 4.440 21.785 3.349 172 HG2 PRO 25 HG2 PRO 25 1.850 22.100 3.656 173 HG3 PRO 25 HG3 PRO 25 2.330 22.226 1.932 174 HD2 PRO 25 HD2 PRO 25 0.688 20.191 3.235 175 HD3 PRO 25 HD3 PRO 25 1.181 20.264 1.517 176 H ASP 26 HN ASP 26 3.422 19.270 5.487 177 HA ASP 26 HA ASP 26 5.529 17.267 5.485 178 HB2 ASP 26 HB2 ASP 26 6.031 19.668 6.558 179 HB3 ASP 26 HB3 ASP 26 5.092 19.038 7.898 180 HD2 ASP 26 HD2 ASP 26 8.210 16.846 6.851 181 H CYS 27 HN CYS 27 2.643 16.935 5.241 182 HA CYS 27 HA CYS 27 0.803 16.236 6.322 183 HB2 CYS 27 HB2 CYS 27 1.086 13.969 7.167 184 HB3 CYS 27 HB3 CYS 27 1.954 14.223 5.666 185 H LYS 28 HN LYS 28 1.469 14.480 8.942 186 HA LYS 28 HA LYS 28 1.557 14.772 11.139 187 HB2 LYS 28 HB2 LYS 28 3.503 16.264 10.701 188 HB3 LYS 28 HB3 LYS 28 2.411 17.633 10.607 189 HG2 LYS 28 HG2 LYS 28 1.579 16.977 12.958 190 HG3 LYS 28 HG3 LYS 28 2.913 15.842 13.025 191 HD2 LYS 28 HD2 LYS 28 3.695 18.585 12.174 192 HD3 LYS 28 HD3 LYS 28 3.053 18.499 13.802 193 HE2 LYS 28 HE2 LYS 28 4.753 17.001 14.534 194 HE3 LYS 28 HE3 LYS 28 5.148 16.495 12.905 195 HZ1 LYS 28 HZ1 LYS 28 5.525 19.313 13.258 196 HZ2 LYS 28 HZ2 LYS 28 6.433 18.462 14.308 197 H LYS 29 HN LYS 29 -0.467 16.319 8.941 198 HA LYS 29 HA LYS 29 -2.082 17.734 10.833 199 HB2 LYS 29 HB2 LYS 29 -1.734 18.226 8.321 200 HB3 LYS 29 HB3 LYS 29 -2.886 16.936 8.035 201 HG2 LYS 29 HG2 LYS 29 -4.625 18.081 9.273 202 HG3 LYS 29 HG3 LYS 29 -3.489 19.237 9.940 203 HD2 LYS 29 HD2 LYS 29 -4.011 18.991 6.943 204 HD3 LYS 29 HD3 LYS 29 -4.933 20.066 7.976 205 HE2 LYS 29 HE2 LYS 29 -1.904 20.190 8.026 206 HE3 LYS 29 HE3 LYS 29 -2.776 20.965 6.718 207 HZ1 LYS 29 HZ1 LYS 29 -3.401 21.490 9.572 208 HZ2 LYS 29 HZ2 LYS 29 -2.362 22.408 8.716 209 H CYS 30 HN CYS 30 -1.754 14.441 9.672 210 HA CYS 30 HA CYS 30 -4.332 13.805 10.904 211 HB2 CYS 30 HB2 CYS 30 -2.861 11.845 9.172 212 HB3 CYS 30 HB3 CYS 30 -4.581 12.003 9.467 213 H HIS 31 HN HIS 31 -0.885 13.107 10.643 214 HA HIS 31 HA HIS 31 -0.976 11.165 12.887 215 HB2 HIS 31 HB2 HIS 31 1.319 12.103 11.077 216 HB3 HIS 31 HB3 HIS 31 1.398 10.773 12.309 217 HD1 HIS 31 HD1 HIS 31 -1.022 9.176 11.658 218 HD2 HIS 31 HD2 HIS 31 1.439 10.795 8.693 219 HE1 HIS 31 HE1 HIS 31 -1.388 7.734 9.554 220 H GLU 32 HN GLU 32 -1.823 13.678 13.725 221 HA GLU 32 HA GLU 32 -0.252 15.598 14.476 222 HB2 GLU 32 HB2 GLU 32 -2.654 15.065 15.248 223 HB3 GLU 32 HB3 GLU 32 -1.934 14.181 16.580 224 HG2 GLU 32 HG2 GLU 32 -2.429 16.460 17.321 225 HG3 GLU 32 HG3 GLU 32 -0.691 16.248 17.270 226 HE2 GLU 32 HE2 GLU 32 -0.288 18.753 14.932 227 H LYS 33 HN LYS 33 -0.467 12.580 16.508 228 HA LYS 33 HA LYS 33 1.784 13.291 18.052 229 HB2 LYS 33 HB2 LYS 33 -0.083 11.007 17.819 230 HB3 LYS 33 HB3 LYS 33 1.517 10.597 18.406 231 HG2 LYS 33 HG2 LYS 33 1.358 12.236 20.211 232 HG3 LYS 33 HG3 LYS 33 -0.118 12.906 19.548 233 HD2 LYS 33 HD2 LYS 33 -1.244 10.665 19.900 234 HD3 LYS 33 HD3 LYS 33 0.223 10.081 20.660 235 HE2 LYS 33 HE2 LYS 33 -0.883 12.662 21.722 236 HE3 LYS 33 HE3 LYS 33 -1.824 11.222 22.055 237 HZ1 LYS 33 HZ1 LYS 33 0.982 10.821 22.523 238 HZ2 LYS 33 HZ2 LYS 33 0.378 12.011 23.456 239 H GLY 34 HN GLY 34 1.402 10.521 15.726 240 HA2 GLY 34 HA1 GLY 34 3.741 11.171 14.266 241 HA3 GLY 34 HA2 GLY 34 4.113 9.970 15.486 242 HA PRO 35 HA PRO 35 2.465 8.007 11.514 243 HB2 PRO 35 HB2 PRO 35 4.613 6.241 11.347 244 HB3 PRO 35 HB3 PRO 35 4.573 7.866 10.588 245 HG2 PRO 35 HG2 PRO 35 5.926 7.162 13.415 246 HG3 PRO 35 HG3 PRO 35 6.506 7.991 11.933 247 HD2 PRO 35 HD2 PRO 35 5.372 9.353 14.031 248 HD3 PRO 35 HD3 PRO 35 5.091 9.851 12.336 249 H GLY 36 HN GLY 36 3.103 5.155 11.477 250 HA2 GLY 36 HA1 GLY 36 2.676 3.209 12.566 251 HA3 GLY 36 HA2 GLY 36 2.548 4.076 14.084 252 H LYS 37 HN LYS 37 0.738 2.039 13.572 253 HA LYS 37 HA LYS 37 -1.559 2.671 12.216 254 HB2 LYS 37 HB2 LYS 37 -2.653 1.036 13.700 255 HB3 LYS 37 HB3 LYS 37 -1.117 0.460 13.085 256 HG2 LYS 37 HG2 LYS 37 -0.866 1.943 15.641 257 HG3 LYS 37 HG3 LYS 37 -1.871 0.514 15.771 258 HD2 LYS 37 HD2 LYS 37 -0.119 -0.948 15.196 259 HD3 LYS 37 HD3 LYS 37 0.757 0.277 14.300 260 HE2 LYS 37 HE2 LYS 37 1.943 0.899 16.140 261 HE3 LYS 37 HE3 LYS 37 0.488 1.077 17.101 262 HZ1 LYS 37 HZ1 LYS 37 0.596 -1.538 17.084 263 HZ2 LYS 37 HZ2 LYS 37 2.180 -1.299 16.792 264 H ILE 38 HN ILE 38 -3.047 4.255 12.398 265 HA ILE 38 HA ILE 38 -2.850 6.148 14.476 266 HB ILE 38 HB ILE 38 -4.792 5.659 12.234 267 HG12 ILE 38 HG1 ILE 38 -3.246 8.175 12.487 268 HG23 ILE 38 HG2 ILE 38 -5.353 8.203 13.089 269 HD11 ILE 38 HD1 ILE 38 -4.738 6.943 10.525 270 H GLU 39 HN GLU 39 -3.021 5.000 16.467 271 HA GLU 39 HA GLU 39 -4.010 3.780 18.026 272 HB2 GLU 39 HB2 GLU 39 -6.105 5.901 17.393 273 HB3 GLU 39 HB3 GLU 39 -6.154 4.909 18.837 274 HG2 GLU 39 HG2 GLU 39 -3.480 5.973 18.585 275 HG3 GLU 39 HG3 GLU 39 -4.607 7.297 18.362 276 HE2 GLU 39 HE2 GLU 39 -3.241 5.260 20.615 277 H GLY 40 HN GLY 40 -7.330 4.293 17.439 278 HA2 GLY 40 HA1 GLY 40 -7.575 1.659 16.111 279 HA3 GLY 40 HA2 GLY 40 -8.578 2.155 17.461 280 H PHE 41 HN PHE 41 -7.502 3.477 14.241 281 HA PHE 41 HA PHE 41 -9.375 5.299 13.758 282 HB2 PHE 41 HB2 PHE 41 -7.579 4.590 12.182 283 HB3 PHE 41 HB3 PHE 41 -8.328 3.019 11.980 284 HD1 PHE 41 HD1 PHE 41 -8.602 6.592 11.157 285 HD2 PHE 41 HD2 PHE 41 -10.164 2.707 10.469 286 HE1 PHE 41 HE1 PHE 41 -9.876 7.455 9.173 287 HE2 PHE 41 HE2 PHE 41 -11.437 3.570 8.486 288 HZ PHE 41 HZ PHE 41 -11.277 5.933 7.861 289 H GLY 42 HN GLY 42 -11.528 5.448 13.026 290 HA2 GLY 42 HA1 GLY 42 -13.023 2.922 12.799 291 HA3 GLY 42 HA2 GLY 42 -13.539 4.134 13.955 292 H LYS 43 HN LYS 43 -15.356 3.450 12.030 293 HA LYS 43 HA LYS 43 -15.152 4.908 9.644 294 HB2 LYS 43 HB2 LYS 43 -17.434 3.634 11.153 295 HB3 LYS 43 HB3 LYS 43 -17.718 4.555 9.690 296 HG2 LYS 43 HG2 LYS 43 -17.412 2.405 8.813 297 HG3 LYS 43 HG3 LYS 43 -15.793 3.059 8.667 298 HD2 LYS 43 HD2 LYS 43 -16.332 1.800 11.303 299 HD3 LYS 43 HD3 LYS 43 -16.454 0.685 9.956 300 HE2 LYS 43 HE2 LYS 43 -14.162 1.786 9.185 301 HE3 LYS 43 HE3 LYS 43 -14.055 2.306 10.855 302 HZ1 LYS 43 HZ1 LYS 43 -14.795 -0.402 10.844 303 HZ2 LYS 43 HZ2 LYS 43 -13.525 -0.251 9.835 304 H GLU 44 HN GLU 44 -17.059 5.584 12.668 305 HA GLU 44 HA GLU 44 -18.097 7.939 12.036 306 HB2 GLU 44 HB2 GLU 44 -18.342 8.338 14.341 307 HB3 GLU 44 HB3 GLU 44 -18.118 6.600 14.275 308 HG2 GLU 44 HG2 GLU 44 -15.847 8.583 14.760 309 HG3 GLU 44 HG3 GLU 44 -16.723 7.777 16.045 310 HE2 GLU 44 HE2 GLU 44 -15.805 4.742 14.163 311 H MET 45 HN MET 45 -14.664 7.247 12.622 312 HA MET 45 HA MET 45 -13.963 9.988 12.865 313 HB2 MET 45 HB2 MET 45 -12.768 7.465 13.362 314 HB3 MET 45 HB3 MET 45 -11.818 8.118 12.041 315 HG2 MET 45 HG2 MET 45 -10.666 9.228 13.678 316 HG3 MET 45 HG3 MET 45 -12.020 10.340 13.669 317 HE1 MET 45 HE1 MET 45 -13.137 10.882 16.216 318 HE2 MET 45 HE2 MET 45 -14.053 10.105 14.902 319 HE3 MET 45 HE3 MET 45 -14.177 9.479 16.564 320 H ALA 46 HN ALA 46 -13.869 7.472 10.281 321 HA ALA 46 HA ALA 46 -12.416 8.825 8.389 322 HB1 ALA 46 HB1 ALA 46 -13.610 7.391 6.775 323 HB2 ALA 46 HB2 ALA 46 -13.161 6.474 8.232 324 HB3 ALA 46 HB3 ALA 46 -14.839 7.020 8.006 325 H HIS 47 HN HIS 47 -15.976 8.683 8.603 326 HA HIS 47 HA HIS 47 -16.451 10.803 6.741 327 HB2 HIS 47 HB2 HIS 47 -18.277 9.823 9.001 328 HB3 HIS 47 HB3 HIS 47 -18.758 10.647 7.456 329 HD1 HIS 47 HD1 HIS 47 -19.312 7.651 8.788 330 HD2 HIS 47 HD2 HIS 47 -17.275 8.675 5.285 331 HE1 HIS 47 HE1 HIS 47 -19.390 5.566 7.275 332 H GLY 48 HN GLY 48 -15.152 10.883 9.926 333 HA2 GLY 48 HA1 GLY 48 -16.266 13.440 10.683 334 HA3 GLY 48 HA2 GLY 48 -15.036 12.513 11.518 335 H LYS 49 HN LYS 49 -13.410 14.039 11.786 336 HA LYS 49 HA LYS 49 -12.583 15.520 9.410 337 HB2 LYS 49 HB2 LYS 49 -12.960 16.277 12.065 338 HB3 LYS 49 HB3 LYS 49 -11.218 16.155 11.916 339 HG2 LYS 49 HG2 LYS 49 -11.670 17.464 9.608 340 HG3 LYS 49 HG3 LYS 49 -13.129 17.965 10.440 341 HD2 LYS 49 HD2 LYS 49 -11.378 18.454 12.438 342 HD3 LYS 49 HD3 LYS 49 -10.256 18.588 11.098 343 HE2 LYS 49 HE2 LYS 49 -12.227 20.111 10.064 344 HE3 LYS 49 HE3 LYS 49 -12.645 20.309 11.755 345 HZ1 LYS 49 HZ1 LYS 49 -10.391 21.097 12.180 346 HZ2 LYS 49 HZ2 LYS 49 -9.946 20.848 10.633 347 H GLY 50 HN GLY 50 -12.065 12.840 9.137 348 HA2 GLY 50 HA1 GLY 50 -9.147 12.832 9.229 349 HA3 GLY 50 HA2 GLY 50 -9.972 11.551 10.096 350 H CYS 51 HN CYS 51 -11.302 13.060 7.136 351 HA CYS 51 HA CYS 51 -10.212 11.345 5.272 352 HB2 CYS 51 HB2 CYS 51 -11.754 9.815 6.878 353 HB3 CYS 51 HB3 CYS 51 -12.963 10.333 5.720 354 H LYS 52 HN LYS 52 -13.674 12.188 6.030 355 HA LYS 52 HA LYS 52 -13.801 13.630 3.518 356 HB2 LYS 52 HB2 LYS 52 -15.580 12.062 4.001 357 HB3 LYS 52 HB3 LYS 52 -15.910 12.830 5.542 358 HG2 LYS 52 HG2 LYS 52 -16.949 14.677 4.568 359 HG3 LYS 52 HG3 LYS 52 -15.978 14.598 3.111 360 HD2 LYS 52 HD2 LYS 52 -17.595 13.419 2.048 361 HD3 LYS 52 HD3 LYS 52 -17.534 12.169 3.274 362 HE2 LYS 52 HE2 LYS 52 -18.958 14.701 4.034 363 HE3 LYS 52 HE3 LYS 52 -19.742 13.705 2.823 364 HZ1 LYS 52 HZ1 LYS 52 -19.442 13.191 5.623 365 HZ2 LYS 52 HZ2 LYS 52 -20.462 12.493 4.564 366 H GLY 53 HN GLY 53 -14.556 14.238 7.022 367 HA2 GLY 53 HA1 GLY 53 -15.215 16.791 7.129 368 HA3 GLY 53 HA2 GLY 53 -14.047 16.103 8.239 369 H CYS 54 HN CYS 54 -11.787 15.673 6.665 370 HA CYS 54 HA CYS 54 -10.567 18.098 6.661 371 HB2 CYS 54 HB2 CYS 54 -9.826 15.482 6.073 372 HB3 CYS 54 HB3 CYS 54 -9.502 16.334 4.577 373 H HIS 55 HN HIS 55 -11.554 16.271 3.750 374 HA HIS 55 HA HIS 55 -11.222 18.213 1.796 375 HB2 HIS 55 HB2 HIS 55 -13.545 16.216 1.912 376 HB3 HIS 55 HB3 HIS 55 -12.752 16.929 0.441 377 HD1 HIS 55 HD1 HIS 55 -13.048 13.867 1.793 378 HD2 HIS 55 HD2 HIS 55 -9.641 16.135 0.948 379 HE1 HIS 55 HE1 HIS 55 -11.108 12.188 1.554 380 H GLU 56 HN GLU 56 -14.093 17.762 3.988 381 HA GLU 56 HA GLU 56 -15.642 19.714 2.799 382 HB2 GLU 56 HB2 GLU 56 -16.706 18.216 4.313 383 HB3 GLU 56 HB3 GLU 56 -15.545 18.528 5.589 384 HG2 GLU 56 HG2 GLU 56 -17.645 19.684 6.109 385 HG3 GLU 56 HG3 GLU 56 -16.395 20.873 5.793 386 HE2 GLU 56 HE2 GLU 56 -18.781 22.335 3.980 387 H GLU 57 HN GLU 57 -12.888 19.902 5.017 388 HA GLU 57 HA GLU 57 -13.447 22.693 5.519 389 HB2 GLU 57 HB2 GLU 57 -12.407 20.724 7.128 390 HB3 GLU 57 HB3 GLU 57 -10.930 21.475 6.556 391 HG2 GLU 57 HG2 GLU 57 -13.079 23.373 7.409 392 HG3 GLU 57 HG3 GLU 57 -12.392 22.395 8.692 393 HE2 GLU 57 HE2 GLU 57 -9.971 23.781 9.326 394 H MET 58 HN MET 58 -10.777 20.591 4.225 395 HA MET 58 HA MET 58 -9.184 22.691 3.399 396 HB2 MET 58 HB2 MET 58 -9.097 19.887 3.414 397 HB3 MET 58 HB3 MET 58 -9.134 20.241 1.699 398 HG2 MET 58 HG2 MET 58 -7.085 21.175 3.750 399 HG3 MET 58 HG3 MET 58 -6.805 20.204 2.318 400 HE1 MET 58 HE1 MET 58 -5.566 23.193 3.447 401 HE2 MET 58 HE2 MET 58 -4.807 22.125 2.242 402 HE3 MET 58 HE3 MET 58 -5.131 23.830 1.844 403 H LYS 59 HN LYS 59 -12.211 21.573 2.164 404 HA LYS 59 HA LYS 59 -13.411 22.083 0.384 405 HB2 LYS 59 HB2 LYS 59 -12.688 24.405 1.195 406 HB3 LYS 59 HB3 LYS 59 -11.542 24.402 -0.130 407 HG2 LYS 59 HG2 LYS 59 -14.126 23.531 -1.129 408 HG3 LYS 59 HG3 LYS 59 -14.342 25.018 -0.226 409 HD2 LYS 59 HD2 LYS 59 -12.086 25.657 -1.649 410 HD3 LYS 59 HD3 LYS 59 -12.840 24.542 -2.770 411 HE2 LYS 59 HE2 LYS 59 -14.818 25.873 -2.964 412 HE3 LYS 59 HE3 LYS 59 -14.471 26.767 -1.497 413 HZ1 LYS 59 HZ1 LYS 59 -13.586 27.325 -4.142 414 HZ2 LYS 59 HZ2 LYS 59 -13.489 28.275 -2.823 415 H LYS 60 HN LYS 60 -11.033 20.264 0.211 416 HA LYS 60 HA LYS 60 -10.961 20.190 -2.688 417 HB2 LYS 60 HB2 LYS 60 -8.467 19.832 -2.641 418 HB3 LYS 60 HB3 LYS 60 -9.002 21.473 -2.343 419 HG2 LYS 60 HG2 LYS 60 -8.682 21.217 0.069 420 HG3 LYS 60 HG3 LYS 60 -8.388 19.498 -0.098 421 HD2 LYS 60 HD2 LYS 60 -6.247 20.672 0.170 422 HD3 LYS 60 HD3 LYS 60 -6.331 19.973 -1.435 423 HE2 LYS 60 HE2 LYS 60 -7.408 22.750 -1.226 424 HE3 LYS 60 HE3 LYS 60 -5.689 22.605 -0.921 425 HZ1 LYS 60 HZ1 LYS 60 -5.297 22.012 -3.075 426 HZ2 LYS 60 HZ2 LYS 60 -6.667 21.147 -3.242 427 H GLY 61 HN GLY 61 -11.254 18.131 -3.395 428 HA2 GLY 61 HA1 GLY 61 -10.495 15.811 -3.130 429 HA3 GLY 61 HA2 GLY 61 -10.814 15.974 -1.415 430 HA PRO 62 HA PRO 62 -14.633 14.481 -3.766 431 HB2 PRO 62 HB2 PRO 62 -14.105 11.782 -2.731 432 HB3 PRO 62 HB3 PRO 62 -14.194 12.359 -4.427 433 HG2 PRO 62 HG2 PRO 62 -12.120 11.513 -3.157 434 HG3 PRO 62 HG3 PRO 62 -11.591 12.459 -4.586 435 HD2 PRO 62 HD2 PRO 62 -11.603 13.191 -1.701 436 HD3 PRO 62 HD3 PRO 62 -10.804 14.024 -3.069 437 H THR 63 HN THR 63 -16.656 14.278 -2.665 438 HA THR 63 HA THR 63 -16.443 13.801 0.230 439 HB THR 63 HB THR 63 -18.198 15.649 0.434 440 HG1 THR 63 HG1 THR 63 -17.226 16.088 -2.299 441 HG21 THR 63 HG2 THR 63 -16.638 17.565 -0.093 442 H LYS 64 HN LYS 64 -17.547 12.664 -2.676 443 HA LYS 64 HA LYS 64 -20.161 11.883 -1.685 444 HB2 LYS 64 HB2 LYS 64 -18.749 11.636 -4.345 445 HB3 LYS 64 HB3 LYS 64 -20.236 10.772 -4.008 446 HG2 LYS 64 HG2 LYS 64 -21.515 12.668 -4.133 447 HG3 LYS 64 HG3 LYS 64 -20.367 13.621 -3.215 448 HD2 LYS 64 HD2 LYS 64 -19.057 14.137 -5.138 449 HD3 LYS 64 HD3 LYS 64 -19.724 12.810 -6.068 450 HE2 LYS 64 HE2 LYS 64 -21.391 15.191 -5.129 451 HE3 LYS 64 HE3 LYS 64 -20.602 15.131 -6.693 452 HZ1 LYS 64 HZ1 LYS 64 -22.511 13.046 -5.788 453 HZ2 LYS 64 HZ2 LYS 64 -22.962 14.328 -6.684 454 H CYS 65 HN CYS 65 -20.796 9.528 -1.836 455 HA CYS 65 HA CYS 65 -18.948 8.027 -0.331 456 HB2 CYS 65 HB2 CYS 65 -21.228 6.673 -1.678 457 HB3 CYS 65 HB3 CYS 65 -20.624 6.508 -0.041 458 H GLY 66 HN GLY 66 -20.426 7.503 -3.626 459 HA2 GLY 66 HA1 GLY 66 -18.959 5.387 -4.493 460 HA3 GLY 66 HA2 GLY 66 -19.527 6.683 -5.525 461 H GLU 67 HN GLU 67 -17.811 8.651 -3.807 462 HA GLU 67 HA GLU 67 -15.564 8.485 -5.511 463 HB2 GLU 67 HB2 GLU 67 -16.265 10.313 -3.178 464 HB3 GLU 67 HB3 GLU 67 -14.799 10.498 -4.119 465 HG2 GLU 67 HG2 GLU 67 -17.547 10.409 -5.432 466 HG3 GLU 67 HG3 GLU 67 -16.857 11.907 -4.837 467 HE2 GLU 67 HE2 GLU 67 -16.672 12.171 -7.742 468 H CYS 68 HN CYS 68 -16.305 7.642 -2.120 469 HA CYS 68 HA CYS 68 -13.503 6.947 -1.712 470 HB2 CYS 68 HB2 CYS 68 -15.763 7.661 0.092 471 HB3 CYS 68 HB3 CYS 68 -14.637 6.461 0.692 472 H HIS 69 HN HIS 69 -16.839 5.737 -1.542 473 HA HIS 69 HA HIS 69 -15.883 2.925 -1.347 474 HB2 HIS 69 HB2 HIS 69 -18.685 4.160 -1.132 475 HB3 HIS 69 HB3 HIS 69 -18.261 2.413 -0.872 476 HD1 HIS 69 HD1 HIS 69 -16.386 2.140 1.119 477 HD2 HIS 69 HD2 HIS 69 -18.822 5.536 1.205 478 HE1 HIS 69 HE1 HIS 69 -16.316 3.014 3.542 479 H LYS 70 HN LYS 70 -16.759 1.266 -2.825 480 HA LYS 70 HA LYS 70 -18.189 1.893 -5.125 481 HB2 LYS 70 HB2 LYS 70 -16.449 3.228 -5.962 482 HB3 LYS 70 HB3 LYS 70 -15.198 2.144 -5.386 483 HG2 LYS 70 HG2 LYS 70 -16.115 0.377 -7.001 484 HG3 LYS 70 HG3 LYS 70 -17.161 1.617 -7.662 485 HD2 LYS 70 HD2 LYS 70 -15.136 3.019 -8.186 486 HD3 LYS 70 HD3 LYS 70 -14.109 1.741 -7.568 487 HE2 LYS 70 HE2 LYS 70 -16.128 1.204 -9.783 488 HE3 LYS 70 HE3 LYS 70 -14.532 1.831 -10.143 489 HZ1 LYS 70 HZ1 LYS 70 -14.417 -0.412 -8.361 490 HZ2 LYS 70 HZ2 LYS 70 -15.144 -0.806 -9.764 491 H LYS 71 HN LYS 71 -18.496 -0.001 -6.470 492 HA LYS 71 HA LYS 71 -17.457 -2.422 -5.168 493 HB2 LYS 71 HB2 LYS 71 -20.084 -1.628 -5.336 494 HB3 LYS 71 HB3 LYS 71 -19.939 -2.669 -6.737 495 HG2 LYS 71 HG2 LYS 71 -18.791 -4.381 -5.160 496 HG3 LYS 71 HG3 LYS 71 -19.340 -3.375 -3.834 497 HD2 LYS 71 HD2 LYS 71 -21.190 -4.747 -3.957 498 HD3 LYS 71 HD3 LYS 71 -21.692 -3.578 -5.161 499 HE2 LYS 71 HE2 LYS 71 -19.946 -5.745 -6.222 500 HE3 LYS 71 HE3 LYS 71 -21.486 -6.303 -5.602 501 HZ1 LYS 71 HZ1 LYS 71 -22.377 -5.571 -7.514 502 HZ2 LYS 71 HZ2 LYS 71 -22.045 -4.033 -7.095 Start of MODEL 9 1 H1 ALA 1 HN ALA 1 0.899 0.590 1.818 2 HA ALA 1 HA ALA 1 3.375 1.355 0.486 3 HB1 ALA 1 HB1 ALA 1 1.367 -0.733 0.215 4 HB2 ALA 1 HB2 ALA 1 1.607 0.121 -1.329 5 HB3 ALA 1 HB3 ALA 1 2.993 -0.629 -0.501 6 H ASP 2 HN ASP 2 2.538 1.884 -2.086 7 HA ASP 2 HA ASP 2 1.956 4.512 -2.010 8 HB2 ASP 2 HB2 ASP 2 0.911 3.911 -4.430 9 HB3 ASP 2 HB3 ASP 2 2.636 3.898 -4.124 10 HD2 ASP 2 HD2 ASP 2 3.646 1.962 -4.236 11 H ASP 3 HN ASP 3 -0.331 1.786 -2.835 12 HA ASP 3 HA ASP 3 -2.525 3.603 -2.303 13 HB2 ASP 3 HB2 ASP 3 -2.687 2.434 -4.425 14 HB3 ASP 3 HB3 ASP 3 -2.323 0.892 -3.677 15 HD2 ASP 3 HD2 ASP 3 -4.165 -0.078 -4.292 16 H ILE 4 HN ILE 4 -3.883 3.255 -0.497 17 HA ILE 4 HA ILE 4 -3.334 0.822 1.057 18 HB ILE 4 HB ILE 4 -3.983 3.609 2.021 19 HG12 ILE 4 HG1 ILE 4 -1.468 2.002 1.822 20 HG23 ILE 4 HG2 ILE 4 -3.271 1.381 3.881 21 HD11 ILE 4 HD1 ILE 4 -0.607 3.774 3.579 22 H VAL 5 HN VAL 5 -4.996 -0.579 0.919 23 HA VAL 5 HA VAL 5 -7.621 0.470 0.264 24 HB VAL 5 HB VAL 5 -6.524 -2.339 0.493 25 HG13 VAL 5 HG1 VAL 5 -8.600 -3.079 -0.565 26 HG21 VAL 5 HG2 VAL 5 -5.654 -0.849 -1.376 27 H LEU 6 HN LEU 6 -9.231 0.758 1.729 28 HA LEU 6 HA LEU 6 -8.681 -0.195 4.443 29 HB2 LEU 6 HB2 LEU 6 -10.593 1.949 3.509 30 HB3 LEU 6 HB3 LEU 6 -10.222 1.529 5.170 31 HG LEU 6 HG LEU 6 -8.028 2.438 3.321 32 HD13 LEU 6 HD1 LEU 6 -10.305 4.036 4.223 33 HD21 LEU 6 HD2 LEU 6 -8.384 2.823 6.302 34 H LYS 7 HN LYS 7 -9.318 -2.404 3.901 35 HA LYS 7 HA LYS 7 -11.553 -3.264 2.711 36 HB2 LYS 7 HB2 LYS 7 -11.507 -5.143 4.456 37 HB3 LYS 7 HB3 LYS 7 -10.069 -4.889 3.487 38 HG2 LYS 7 HG2 LYS 7 -8.810 -4.279 5.294 39 HG3 LYS 7 HG3 LYS 7 -10.066 -3.239 5.935 40 HD2 LYS 7 HD2 LYS 7 -10.267 -6.272 6.112 41 HD3 LYS 7 HD3 LYS 7 -9.416 -5.338 7.327 42 HE2 LYS 7 HE2 LYS 7 -12.205 -4.461 6.574 43 HE3 LYS 7 HE3 LYS 7 -12.037 -5.900 7.561 44 HZ1 LYS 7 HZ1 LYS 7 -10.755 -3.312 8.253 45 HZ2 LYS 7 HZ2 LYS 7 -12.189 -3.789 8.858 46 H ALA 8 HN ALA 8 -13.687 -2.852 2.859 47 HA ALA 8 HA ALA 8 -14.693 -2.035 5.498 48 HB1 ALA 8 HB1 ALA 8 -15.291 -0.066 4.603 49 HB2 ALA 8 HB2 ALA 8 -14.607 -0.556 3.033 50 HB3 ALA 8 HB3 ALA 8 -16.306 -0.924 3.419 51 H LYS 9 HN LYS 9 -16.958 -2.621 5.901 52 HA LYS 9 HA LYS 9 -17.527 -5.197 4.783 53 HB2 LYS 9 HB2 LYS 9 -18.930 -3.498 6.864 54 HB3 LYS 9 HB3 LYS 9 -19.456 -5.101 6.392 55 HG2 LYS 9 HG2 LYS 9 -16.588 -5.113 6.957 56 HG3 LYS 9 HG3 LYS 9 -17.466 -4.437 8.314 57 HD2 LYS 9 HD2 LYS 9 -17.479 -6.759 8.773 58 HD3 LYS 9 HD3 LYS 9 -19.063 -6.484 8.079 59 HE2 LYS 9 HE2 LYS 9 -18.621 -7.828 6.294 60 HE3 LYS 9 HE3 LYS 9 -17.094 -7.029 5.975 61 HZ1 LYS 9 HZ1 LYS 9 -17.008 -8.681 8.329 62 HZ2 LYS 9 HZ2 LYS 9 -17.350 -9.539 6.987 63 H ASN 10 HN ASN 10 -18.304 -1.883 4.078 64 HA ASN 10 HA ASN 10 -20.389 -2.864 2.292 65 HB2 ASN 10 HB2 ASN 10 -21.572 -1.516 3.879 66 HB3 ASN 10 HB3 ASN 10 -20.270 -0.349 3.999 67 HD21 ASN 10 HD2 ASN 10 -22.881 -0.310 0.776 68 H GLY 11 HN GLY 11 -18.236 -3.066 0.951 69 HA2 GLY 11 HA1 GLY 11 -17.306 -2.283 -0.988 70 HA3 GLY 11 HA2 GLY 11 -17.983 -0.693 -0.695 71 H ASP 12 HN ASP 12 -15.135 -1.825 -1.317 72 HA ASP 12 HA ASP 12 -13.690 -1.080 1.021 73 HB2 ASP 12 HB2 ASP 12 -11.776 -1.828 -0.140 74 HB3 ASP 12 HB3 ASP 12 -13.048 -2.843 -0.790 75 HD2 ASP 12 HD2 ASP 12 -12.527 -1.947 -3.950 76 H VAL 13 HN VAL 13 -11.778 0.598 0.673 77 HA VAL 13 HA VAL 13 -12.745 2.800 -1.016 78 HB VAL 13 HB VAL 13 -11.683 2.827 1.807 79 HG13 VAL 13 HG1 VAL 13 -11.453 4.877 -0.292 80 HG21 VAL 13 HG2 VAL 13 -13.751 3.804 2.405 81 H LYS 14 HN LYS 14 -11.259 3.643 -2.418 82 HA LYS 14 HA LYS 14 -8.587 2.478 -2.267 83 HB2 LYS 14 HB2 LYS 14 -9.638 2.081 -4.358 84 HB3 LYS 14 HB3 LYS 14 -10.190 3.739 -4.497 85 HG2 LYS 14 HG2 LYS 14 -8.277 3.581 -5.935 86 HG3 LYS 14 HG3 LYS 14 -7.725 4.453 -4.519 87 HD2 LYS 14 HD2 LYS 14 -6.065 2.911 -4.353 88 HD3 LYS 14 HD3 LYS 14 -7.287 1.779 -3.809 89 HE2 LYS 14 HE2 LYS 14 -7.180 2.106 -6.765 90 HE3 LYS 14 HE3 LYS 14 -5.711 1.450 -6.070 91 HZ1 LYS 14 HZ1 LYS 14 -8.428 0.311 -5.947 92 HZ2 LYS 14 HZ2 LYS 14 -7.046 -0.422 -6.395 93 H PHE 15 HN PHE 15 -7.242 3.648 -0.983 94 HA PHE 15 HA PHE 15 -7.242 6.547 -1.452 95 HB2 PHE 15 HB2 PHE 15 -8.150 5.571 0.815 96 HB3 PHE 15 HB3 PHE 15 -6.509 5.037 1.120 97 HD1 PHE 15 HD2 PHE 15 -7.576 8.231 -0.448 98 HD2 PHE 15 HD1 PHE 15 -5.900 6.344 2.963 99 HE1 PHE 15 HE2 PHE 15 -7.027 10.478 0.525 100 HE2 PHE 15 HE1 PHE 15 -5.351 8.591 3.937 101 HZ PHE 15 HZ PHE 15 -5.920 10.632 2.706 102 HA PRO 16 HA PRO 16 -3.016 5.506 -2.443 103 HB2 PRO 16 HB2 PRO 16 -2.541 7.736 -3.952 104 HB3 PRO 16 HB3 PRO 16 -3.580 6.393 -4.531 105 HG2 PRO 16 HG2 PRO 16 -4.688 9.192 -3.561 106 HG3 PRO 16 HG3 PRO 16 -4.850 7.815 -4.699 107 HD2 PRO 16 HD2 PRO 16 -6.002 8.207 -1.976 108 HD3 PRO 16 HD3 PRO 16 -6.438 6.996 -3.221 109 H HIS 17 HN HIS 17 -1.895 5.679 -0.552 110 HA HIS 17 HA HIS 17 -1.798 8.063 1.062 111 HB2 HIS 17 HB2 HIS 17 -1.493 5.669 1.809 112 HB3 HIS 17 HB3 HIS 17 0.139 5.686 1.011 113 HD1 HIS 17 HD1 HIS 17 1.992 6.837 2.209 114 HD2 HIS 17 HD2 HIS 17 -1.653 7.174 4.227 115 HE1 HIS 17 HE1 HIS 17 2.551 7.741 4.557 116 H LYS 18 HN LYS 18 0.707 6.527 -1.130 117 HA LYS 18 HA LYS 18 2.639 8.421 -0.894 118 HB2 LYS 18 HB2 LYS 18 3.084 6.429 -2.097 119 HB3 LYS 18 HB3 LYS 18 1.779 6.712 -3.231 120 HG2 LYS 18 HG2 LYS 18 3.641 8.978 -3.205 121 HG3 LYS 18 HG3 LYS 18 4.491 7.480 -3.528 122 HD2 LYS 18 HD2 LYS 18 3.357 7.093 -5.531 123 HD3 LYS 18 HD3 LYS 18 1.902 7.912 -4.997 124 HE2 LYS 18 HE2 LYS 18 3.312 10.105 -5.077 125 HE3 LYS 18 HE3 LYS 18 4.498 9.174 -5.969 126 HZ1 LYS 18 HZ1 LYS 18 1.990 8.673 -7.117 127 HZ2 LYS 18 HZ2 LYS 18 2.117 10.289 -6.954 128 H ALA 19 HN ALA 19 -0.547 8.732 -2.324 129 HA ALA 19 HA ALA 19 0.154 11.063 -3.859 130 HB1 ALA 19 HB1 ALA 19 -1.607 9.386 -4.514 131 HB2 ALA 19 HB2 ALA 19 -2.578 9.939 -3.128 132 HB3 ALA 19 HB3 ALA 19 -2.196 11.065 -4.452 133 H HIS 20 HN HIS 20 -1.596 10.249 -0.882 134 HA HIS 20 HA HIS 20 -2.000 13.085 -0.190 135 HB2 HIS 20 HB2 HIS 20 -2.896 10.384 0.795 136 HB3 HIS 20 HB3 HIS 20 -2.822 11.729 2.013 137 HD1 HIS 20 HD1 HIS 20 -4.032 11.772 -1.580 138 HD2 HIS 20 HD2 HIS 20 -5.424 12.481 2.296 139 HE1 HIS 20 HE1 HIS 20 -6.443 12.648 -1.832 140 H GLN 21 HN GLN 21 0.785 11.720 -0.451 141 HA GLN 21 HA GLN 21 1.664 12.348 2.258 142 HB2 GLN 21 HB2 GLN 21 2.930 10.482 2.182 143 HB3 GLN 21 HB3 GLN 21 2.180 10.080 0.649 144 HG2 GLN 21 HG2 GLN 21 3.929 11.608 -0.471 145 HG3 GLN 21 HG3 GLN 21 4.743 11.679 1.080 146 HE21 GLN 21 HE2 GLN 21 6.463 9.027 -0.710 147 H LYS 22 HN LYS 22 1.371 13.632 -0.819 148 HA LYS 22 HA LYS 22 3.778 15.273 -0.433 149 HB2 LYS 22 HB2 LYS 22 3.525 13.584 -2.486 150 HB3 LYS 22 HB3 LYS 22 2.606 14.915 -3.158 151 HG2 LYS 22 HG2 LYS 22 4.658 16.393 -2.359 152 HG3 LYS 22 HG3 LYS 22 5.517 14.867 -2.313 153 HD2 LYS 22 HD2 LYS 22 4.194 14.765 -4.782 154 HD3 LYS 22 HD3 LYS 22 4.638 16.455 -4.646 155 HE2 LYS 22 HE2 LYS 22 6.566 15.547 -5.631 156 HE3 LYS 22 HE3 LYS 22 7.007 15.535 -3.934 157 HZ1 LYS 22 HZ1 LYS 22 6.362 13.275 -5.658 158 HZ2 LYS 22 HZ2 LYS 22 7.433 13.359 -4.433 159 H ALA 23 HN ALA 23 0.307 15.033 -0.860 160 HA ALA 23 HA ALA 23 -0.080 17.739 -1.653 161 HB1 ALA 23 HB1 ALA 23 -2.466 17.199 -1.099 162 HB2 ALA 23 HB2 ALA 23 -1.711 16.018 -2.196 163 HB3 ALA 23 HB3 ALA 23 -1.925 15.623 -0.474 164 H VAL 24 HN VAL 24 1.108 16.368 1.179 165 HA VAL 24 HA VAL 24 0.095 18.643 2.739 166 HB VAL 24 HB VAL 24 0.924 16.080 4.034 167 HG13 VAL 24 HG1 VAL 24 0.501 17.946 5.490 168 HG21 VAL 24 HG2 VAL 24 -1.669 16.549 2.556 169 HA PRO 25 HA PRO 25 4.226 20.168 2.408 170 HB2 PRO 25 HB2 PRO 25 3.351 21.013 5.211 171 HB3 PRO 25 HB3 PRO 25 4.278 21.913 3.965 172 HG2 PRO 25 HG2 PRO 25 1.646 22.156 4.288 173 HG3 PRO 25 HG3 PRO 25 2.192 22.406 2.597 174 HD2 PRO 25 HD2 PRO 25 0.582 20.220 3.743 175 HD3 PRO 25 HD3 PRO 25 1.019 20.496 2.029 176 H ASP 26 HN ASP 26 3.419 19.212 5.846 177 HA ASP 26 HA ASP 26 5.546 17.247 5.586 178 HB2 ASP 26 HB2 ASP 26 5.997 19.569 6.889 179 HB3 ASP 26 HB3 ASP 26 5.185 18.722 8.191 180 HD2 ASP 26 HD2 ASP 26 8.185 18.600 6.301 181 H CYS 27 HN CYS 27 2.637 16.931 5.420 182 HA CYS 27 HA CYS 27 0.856 16.068 6.462 183 HB2 CYS 27 HB2 CYS 27 1.175 13.761 7.066 184 HB3 CYS 27 HB3 CYS 27 2.127 14.151 5.648 185 H LYS 28 HN LYS 28 1.464 14.161 8.931 186 HA LYS 28 HA LYS 28 1.567 14.287 11.143 187 HB2 LYS 28 HB2 LYS 28 2.547 17.135 10.780 188 HB3 LYS 28 HB3 LYS 28 2.551 16.237 12.284 189 HG2 LYS 28 HG2 LYS 28 4.289 14.832 11.614 190 HG3 LYS 28 HG3 LYS 28 3.858 14.919 9.918 191 HD2 LYS 28 HD2 LYS 28 5.682 16.308 9.790 192 HD3 LYS 28 HD3 LYS 28 4.546 17.529 10.328 193 HE2 LYS 28 HE2 LYS 28 5.286 17.390 12.602 194 HE3 LYS 28 HE3 LYS 28 6.071 15.845 12.348 195 HZ1 LYS 28 HZ1 LYS 28 7.716 17.604 12.378 196 HZ2 LYS 28 HZ2 LYS 28 7.665 17.004 10.866 197 H LYS 29 HN LYS 29 -0.412 16.028 9.068 198 HA LYS 29 HA LYS 29 -1.974 17.387 11.037 199 HB2 LYS 29 HB2 LYS 29 -1.648 18.003 8.564 200 HB3 LYS 29 HB3 LYS 29 -2.800 16.732 8.206 201 HG2 LYS 29 HG2 LYS 29 -4.500 18.149 8.690 202 HG3 LYS 29 HG3 LYS 29 -3.939 18.245 10.347 203 HD2 LYS 29 HD2 LYS 29 -3.981 20.506 9.510 204 HD3 LYS 29 HD3 LYS 29 -2.293 20.048 9.612 205 HE2 LYS 29 HE2 LYS 29 -2.440 19.372 7.133 206 HE3 LYS 29 HE3 LYS 29 -4.025 20.120 7.101 207 HZ1 LYS 29 HZ1 LYS 29 -1.954 21.539 6.509 208 HZ2 LYS 29 HZ2 LYS 29 -3.105 22.221 7.438 209 H CYS 30 HN CYS 30 -1.770 14.146 9.695 210 HA CYS 30 HA CYS 30 -4.353 13.525 10.921 211 HB2 CYS 30 HB2 CYS 30 -2.928 11.569 9.154 212 HB3 CYS 30 HB3 CYS 30 -4.646 11.799 9.412 213 H HIS 31 HN HIS 31 -0.921 12.763 10.667 214 HA HIS 31 HA HIS 31 -1.064 10.729 12.820 215 HB2 HIS 31 HB2 HIS 31 1.261 11.752 11.096 216 HB3 HIS 31 HB3 HIS 31 1.334 10.378 12.282 217 HD1 HIS 31 HD1 HIS 31 -1.016 8.750 11.555 218 HD2 HIS 31 HD2 HIS 31 1.381 10.568 8.653 219 HE1 HIS 31 HE1 HIS 31 -1.350 7.389 9.391 220 H GLU 32 HN GLU 32 -1.930 13.187 13.778 221 HA GLU 32 HA GLU 32 -0.404 15.077 14.660 222 HB2 GLU 32 HB2 GLU 32 -2.802 14.399 15.395 223 HB3 GLU 32 HB3 GLU 32 -2.034 13.523 16.703 224 HG2 GLU 32 HG2 GLU 32 -0.796 15.721 17.273 225 HG3 GLU 32 HG3 GLU 32 -1.877 16.516 16.146 226 HE2 GLU 32 HE2 GLU 32 -1.694 16.739 18.999 227 H LYS 33 HN LYS 33 -0.651 12.093 16.734 228 HA LYS 33 HA LYS 33 1.607 12.717 18.240 229 HB2 LYS 33 HB2 LYS 33 0.108 11.230 19.221 230 HB3 LYS 33 HB3 LYS 33 -0.032 10.241 17.782 231 HG2 LYS 33 HG2 LYS 33 1.753 8.949 18.365 232 HG3 LYS 33 HG3 LYS 33 2.747 10.345 18.735 233 HD2 LYS 33 HD2 LYS 33 0.894 10.347 20.830 234 HD3 LYS 33 HD3 LYS 33 1.154 8.636 20.554 235 HE2 LYS 33 HE2 LYS 33 3.285 8.705 21.383 236 HE3 LYS 33 HE3 LYS 33 3.679 10.166 20.499 237 HZ1 LYS 33 HZ1 LYS 33 2.015 11.152 22.337 238 HZ2 LYS 33 HZ2 LYS 33 2.622 9.909 23.196 239 H GLY 34 HN GLY 34 1.293 10.086 15.746 240 HA2 GLY 34 HA1 GLY 34 3.643 10.841 14.364 241 HA3 GLY 34 HA2 GLY 34 4.020 9.582 15.522 242 HA PRO 35 HA PRO 35 2.496 7.772 11.445 243 HB2 PRO 35 HB2 PRO 35 4.628 5.994 11.290 244 HB3 PRO 35 HB3 PRO 35 4.645 7.654 10.610 245 HG2 PRO 35 HG2 PRO 35 5.727 6.759 13.437 246 HG3 PRO 35 HG3 PRO 35 6.592 7.685 12.167 247 HD2 PRO 35 HD2 PRO 35 5.304 8.998 14.130 248 HD3 PRO 35 HD3 PRO 35 5.100 9.557 12.442 249 H GLY 36 HN GLY 36 3.076 4.925 11.311 250 HA2 GLY 36 HA1 GLY 36 2.557 2.942 12.277 251 HA3 GLY 36 HA2 GLY 36 2.461 3.724 13.841 252 H LYS 37 HN LYS 37 0.589 1.755 13.097 253 HA LYS 37 HA LYS 37 -1.687 2.569 11.833 254 HB2 LYS 37 HB2 LYS 37 -2.818 0.827 13.076 255 HB3 LYS 37 HB3 LYS 37 -1.224 0.280 12.599 256 HG2 LYS 37 HG2 LYS 37 -0.586 -0.015 14.759 257 HG3 LYS 37 HG3 LYS 37 -1.079 1.608 15.194 258 HD2 LYS 37 HD2 LYS 37 -3.403 0.886 15.518 259 HD3 LYS 37 HD3 LYS 37 -3.044 -0.708 14.886 260 HE2 LYS 37 HE2 LYS 37 -1.196 -0.666 16.860 261 HE3 LYS 37 HE3 LYS 37 -2.320 0.483 17.556 262 HZ1 LYS 37 HZ1 LYS 37 -3.350 -2.074 16.515 263 HZ2 LYS 37 HZ2 LYS 37 -2.667 -2.036 17.993 264 H ILE 38 HN ILE 38 -3.298 4.018 12.201 265 HA ILE 38 HA ILE 38 -2.988 5.882 14.286 266 HB ILE 38 HB ILE 38 -4.946 5.359 12.105 267 HG12 ILE 38 HG1 ILE 38 -3.063 7.559 12.921 268 HG23 ILE 38 HG2 ILE 38 -6.428 7.133 12.862 269 HD11 ILE 38 HD1 ILE 38 -4.091 8.696 10.787 270 H GLU 39 HN GLU 39 -3.995 6.102 16.273 271 HA GLU 39 HA GLU 39 -4.575 4.002 17.747 272 HB2 GLU 39 HB2 GLU 39 -4.456 6.354 18.561 273 HB3 GLU 39 HB3 GLU 39 -6.047 6.671 17.898 274 HG2 GLU 39 HG2 GLU 39 -7.070 5.755 19.706 275 HG3 GLU 39 HG3 GLU 39 -6.141 4.276 19.559 276 HE2 GLU 39 HE2 GLU 39 -6.486 5.318 22.177 277 H GLY 40 HN GLY 40 -5.720 2.276 16.817 278 HA2 GLY 40 HA1 GLY 40 -7.462 1.229 15.760 279 HA3 GLY 40 HA2 GLY 40 -8.279 1.805 17.199 280 H PHE 41 HN PHE 41 -7.705 2.358 13.731 281 HA PHE 41 HA PHE 41 -9.026 4.768 13.435 282 HB2 PHE 41 HB2 PHE 41 -7.646 3.505 11.726 283 HB3 PHE 41 HB3 PHE 41 -8.879 2.262 11.653 284 HD1 PHE 41 HD1 PHE 41 -11.311 3.197 11.060 285 HD2 PHE 41 HD2 PHE 41 -7.658 5.124 10.085 286 HE1 PHE 41 HE1 PHE 41 -12.463 4.446 9.214 287 HE2 PHE 41 HE2 PHE 41 -8.811 6.374 8.239 288 HZ PHE 41 HZ PHE 41 -11.199 6.020 7.825 289 H GLY 42 HN GLY 42 -11.189 5.308 12.748 290 HA2 GLY 42 HA1 GLY 42 -13.194 3.182 13.095 291 HA3 GLY 42 HA2 GLY 42 -13.302 4.639 14.062 292 H LYS 43 HN LYS 43 -15.340 3.838 12.223 293 HA LYS 43 HA LYS 43 -15.026 5.162 9.743 294 HB2 LYS 43 HB2 LYS 43 -17.341 3.952 11.244 295 HB3 LYS 43 HB3 LYS 43 -17.614 4.873 9.780 296 HG2 LYS 43 HG2 LYS 43 -17.321 2.753 8.864 297 HG3 LYS 43 HG3 LYS 43 -15.670 3.335 8.798 298 HD2 LYS 43 HD2 LYS 43 -16.385 2.069 11.390 299 HD3 LYS 43 HD3 LYS 43 -16.489 0.977 10.023 300 HE2 LYS 43 HE2 LYS 43 -14.139 1.775 9.344 301 HE3 LYS 43 HE3 LYS 43 -14.058 2.611 10.882 302 HZ1 LYS 43 HZ1 LYS 43 -13.256 0.613 11.573 303 HZ2 LYS 43 HZ2 LYS 43 -14.817 0.163 11.669 304 H GLU 44 HN GLU 44 -16.941 5.972 12.727 305 HA GLU 44 HA GLU 44 -17.959 8.306 12.034 306 HB2 GLU 44 HB2 GLU 44 -18.138 7.195 14.282 307 HB3 GLU 44 HB3 GLU 44 -16.543 7.796 14.688 308 HG2 GLU 44 HG2 GLU 44 -18.598 9.188 15.479 309 HG3 GLU 44 HG3 GLU 44 -17.257 10.053 14.755 310 HE2 GLU 44 HE2 GLU 44 -19.092 11.766 13.291 311 H MET 45 HN MET 45 -14.513 7.649 12.696 312 HA MET 45 HA MET 45 -13.787 10.373 12.777 313 HB2 MET 45 HB2 MET 45 -12.589 7.826 13.249 314 HB3 MET 45 HB3 MET 45 -11.658 8.515 11.935 315 HG2 MET 45 HG2 MET 45 -10.505 9.571 13.615 316 HG3 MET 45 HG3 MET 45 -11.837 10.707 13.577 317 HE1 MET 45 HE1 MET 45 -14.107 9.655 16.476 318 HE2 MET 45 HE2 MET 45 -13.533 11.043 15.522 319 HE3 MET 45 HE3 MET 45 -14.242 9.632 14.702 320 H ALA 46 HN ALA 46 -13.675 7.774 10.260 321 HA ALA 46 HA ALA 46 -12.319 9.112 8.298 322 HB1 ALA 46 HB1 ALA 46 -12.807 7.195 7.233 323 HB2 ALA 46 HB2 ALA 46 -13.876 6.757 8.586 324 HB3 ALA 46 HB3 ALA 46 -14.534 7.623 7.177 325 H HIS 47 HN HIS 47 -15.870 8.879 8.579 326 HA HIS 47 HA HIS 47 -16.438 10.934 6.674 327 HB2 HIS 47 HB2 HIS 47 -18.191 9.973 8.997 328 HB3 HIS 47 HB3 HIS 47 -18.724 10.739 7.440 329 HD1 HIS 47 HD1 HIS 47 -19.026 7.724 8.928 330 HD2 HIS 47 HD2 HIS 47 -17.383 8.790 5.236 331 HE1 HIS 47 HE1 HIS 47 -19.117 5.606 7.462 332 H GLY 48 HN GLY 48 -15.089 11.135 9.836 333 HA2 GLY 48 HA1 GLY 48 -16.237 13.718 10.488 334 HA3 GLY 48 HA2 GLY 48 -15.040 12.814 11.394 335 H LYS 49 HN LYS 49 -13.380 14.295 11.644 336 HA LYS 49 HA LYS 49 -12.489 15.705 9.246 337 HB2 LYS 49 HB2 LYS 49 -12.662 16.347 12.070 338 HB3 LYS 49 HB3 LYS 49 -11.026 16.578 11.485 339 HG2 LYS 49 HG2 LYS 49 -12.016 17.879 9.510 340 HG3 LYS 49 HG3 LYS 49 -13.571 17.790 10.314 341 HD2 LYS 49 HD2 LYS 49 -11.495 18.704 12.172 342 HD3 LYS 49 HD3 LYS 49 -11.538 19.719 10.744 343 HE2 LYS 49 HE2 LYS 49 -14.115 18.971 12.170 344 HE3 LYS 49 HE3 LYS 49 -13.126 20.290 12.766 345 HZ1 LYS 49 HZ1 LYS 49 -14.943 20.761 10.982 346 HZ2 LYS 49 HZ2 LYS 49 -13.511 21.525 10.849 347 H GLY 50 HN GLY 50 -11.979 13.077 8.933 348 HA2 GLY 50 HA1 GLY 50 -9.075 13.001 9.135 349 HA3 GLY 50 HA2 GLY 50 -9.941 11.742 9.991 350 H CYS 51 HN CYS 51 -11.258 13.208 7.021 351 HA CYS 51 HA CYS 51 -10.126 11.518 5.161 352 HB2 CYS 51 HB2 CYS 51 -11.557 9.915 6.746 353 HB3 CYS 51 HB3 CYS 51 -12.853 10.443 5.692 354 H LYS 52 HN LYS 52 -13.609 12.267 5.919 355 HA LYS 52 HA LYS 52 -13.810 13.658 3.392 356 HB2 LYS 52 HB2 LYS 52 -15.545 12.054 4.097 357 HB3 LYS 52 HB3 LYS 52 -15.895 13.036 5.505 358 HG2 LYS 52 HG2 LYS 52 -16.167 14.975 3.662 359 HG3 LYS 52 HG3 LYS 52 -16.461 13.614 2.598 360 HD2 LYS 52 HD2 LYS 52 -17.936 13.990 5.242 361 HD3 LYS 52 HD3 LYS 52 -18.536 14.627 3.724 362 HE2 LYS 52 HE2 LYS 52 -18.254 12.175 2.823 363 HE3 LYS 52 HE3 LYS 52 -18.143 11.716 4.511 364 HZ1 LYS 52 HZ1 LYS 52 -20.414 13.240 3.348 365 HZ2 LYS 52 HZ2 LYS 52 -20.445 11.646 3.680 366 H GLY 53 HN GLY 53 -14.453 14.382 6.897 367 HA2 GLY 53 HA1 GLY 53 -15.116 16.939 6.934 368 HA3 GLY 53 HA2 GLY 53 -13.918 16.288 8.036 369 H CYS 54 HN CYS 54 -11.629 15.909 6.681 370 HA CYS 54 HA CYS 54 -10.437 18.279 6.487 371 HB2 CYS 54 HB2 CYS 54 -9.735 15.641 5.882 372 HB3 CYS 54 HB3 CYS 54 -9.400 16.516 4.402 373 H HIS 55 HN HIS 55 -11.646 16.419 3.683 374 HA HIS 55 HA HIS 55 -11.318 18.349 1.675 375 HB2 HIS 55 HB2 HIS 55 -13.609 16.321 1.879 376 HB3 HIS 55 HB3 HIS 55 -12.881 17.038 0.378 377 HD1 HIS 55 HD1 HIS 55 -13.090 13.975 1.701 378 HD2 HIS 55 HD2 HIS 55 -9.728 16.301 0.829 379 HE1 HIS 55 HE1 HIS 55 -11.129 12.326 1.415 380 H GLU 56 HN GLU 56 -14.131 17.874 3.939 381 HA GLU 56 HA GLU 56 -15.693 19.846 2.771 382 HB2 GLU 56 HB2 GLU 56 -16.677 18.208 4.264 383 HB3 GLU 56 HB3 GLU 56 -15.629 18.688 5.585 384 HG2 GLU 56 HG2 GLU 56 -17.165 20.960 4.485 385 HG3 GLU 56 HG3 GLU 56 -18.202 19.679 5.080 386 HE2 GLU 56 HE2 GLU 56 -17.664 21.461 8.079 387 H GLU 57 HN GLU 57 -12.866 19.992 4.834 388 HA GLU 57 HA GLU 57 -13.470 22.715 5.588 389 HB2 GLU 57 HB2 GLU 57 -11.712 20.561 6.591 390 HB3 GLU 57 HB3 GLU 57 -10.921 22.124 6.559 391 HG2 GLU 57 HG2 GLU 57 -13.709 21.795 7.734 392 HG3 GLU 57 HG3 GLU 57 -12.277 21.482 8.695 393 HE2 GLU 57 HE2 GLU 57 -12.152 23.303 9.943 394 H MET 58 HN MET 58 -10.774 20.843 4.013 395 HA MET 58 HA MET 58 -9.426 23.118 3.165 396 HB2 MET 58 HB2 MET 58 -8.957 20.391 3.215 397 HB3 MET 58 HB3 MET 58 -9.249 20.620 1.502 398 HG2 MET 58 HG2 MET 58 -6.924 20.987 1.658 399 HG3 MET 58 HG3 MET 58 -7.554 22.622 1.697 400 HE1 MET 58 HE1 MET 58 -5.422 23.148 2.307 401 HE2 MET 58 HE2 MET 58 -5.465 23.921 3.910 402 HE3 MET 58 HE3 MET 58 -4.462 22.473 3.646 403 H LYS 59 HN LYS 59 -12.354 21.646 2.041 404 HA LYS 59 HA LYS 59 -13.694 22.056 0.337 405 HB2 LYS 59 HB2 LYS 59 -12.402 24.548 0.878 406 HB3 LYS 59 HB3 LYS 59 -12.584 24.408 -0.859 407 HG2 LYS 59 HG2 LYS 59 -14.893 24.457 -0.768 408 HG3 LYS 59 HG3 LYS 59 -14.964 23.547 0.728 409 HD2 LYS 59 HD2 LYS 59 -14.202 25.579 1.989 410 HD3 LYS 59 HD3 LYS 59 -14.157 26.486 0.491 411 HE2 LYS 59 HE2 LYS 59 -16.320 27.041 0.958 412 HE3 LYS 59 HE3 LYS 59 -16.720 25.427 0.408 413 HZ1 LYS 59 HZ1 LYS 59 -16.717 26.455 3.098 414 HZ2 LYS 59 HZ2 LYS 59 -17.525 25.178 2.491 415 H LYS 60 HN LYS 60 -11.556 20.224 -0.026 416 HA LYS 60 HA LYS 60 -11.486 20.223 -2.891 417 HB2 LYS 60 HB2 LYS 60 -8.896 19.877 -2.779 418 HB3 LYS 60 HB3 LYS 60 -9.572 21.491 -2.866 419 HG2 LYS 60 HG2 LYS 60 -9.526 21.464 -0.259 420 HG3 LYS 60 HG3 LYS 60 -8.501 20.050 -0.408 421 HD2 LYS 60 HD2 LYS 60 -7.720 22.393 -2.100 422 HD3 LYS 60 HD3 LYS 60 -7.551 22.621 -0.371 423 HE2 LYS 60 HE2 LYS 60 -5.931 20.933 -0.158 424 HE3 LYS 60 HE3 LYS 60 -6.508 20.050 -1.557 425 HZ1 LYS 60 HZ1 LYS 60 -5.690 22.096 -2.866 426 HZ2 LYS 60 HZ2 LYS 60 -4.843 22.488 -1.531 427 H GLY 61 HN GLY 61 -11.614 18.141 -3.615 428 HA2 GLY 61 HA1 GLY 61 -10.735 15.873 -3.360 429 HA3 GLY 61 HA2 GLY 61 -11.009 16.024 -1.636 430 HA PRO 62 HA PRO 62 -14.816 14.300 -3.814 431 HB2 PRO 62 HB2 PRO 62 -14.116 11.634 -2.827 432 HB3 PRO 62 HB3 PRO 62 -14.250 12.222 -4.516 433 HG2 PRO 62 HG2 PRO 62 -12.096 11.478 -3.248 434 HG3 PRO 62 HG3 PRO 62 -11.656 12.440 -4.697 435 HD2 PRO 62 HD2 PRO 62 -11.670 13.202 -1.818 436 HD3 PRO 62 HD3 PRO 62 -10.933 14.061 -3.205 437 H THR 63 HN THR 63 -16.741 14.242 -2.604 438 HA THR 63 HA THR 63 -16.408 13.648 0.263 439 HB THR 63 HB THR 63 -18.134 15.456 0.617 440 HG1 THR 63 HG1 THR 63 -19.020 15.285 -1.576 441 HG21 THR 63 HG2 THR 63 -16.531 17.098 0.664 442 H LYS 64 HN LYS 64 -17.764 12.714 -2.690 443 HA LYS 64 HA LYS 64 -20.266 11.811 -1.603 444 HB2 LYS 64 HB2 LYS 64 -18.895 11.565 -4.281 445 HB3 LYS 64 HB3 LYS 64 -20.358 10.673 -3.918 446 HG2 LYS 64 HG2 LYS 64 -20.662 13.451 -3.078 447 HG3 LYS 64 HG3 LYS 64 -20.149 13.391 -4.752 448 HD2 LYS 64 HD2 LYS 64 -22.035 11.461 -4.874 449 HD3 LYS 64 HD3 LYS 64 -22.676 12.334 -3.497 450 HE2 LYS 64 HE2 LYS 64 -23.723 13.497 -5.224 451 HE3 LYS 64 HE3 LYS 64 -22.279 14.473 -5.045 452 HZ1 LYS 64 HZ1 LYS 64 -21.516 12.508 -6.785 453 HZ2 LYS 64 HZ2 LYS 64 -23.045 12.814 -7.254 454 H CYS 65 HN CYS 65 -20.888 9.456 -1.701 455 HA CYS 65 HA CYS 65 -19.003 7.982 -0.220 456 HB2 CYS 65 HB2 CYS 65 -21.282 6.578 -1.508 457 HB3 CYS 65 HB3 CYS 65 -20.668 6.471 0.129 458 H GLY 66 HN GLY 66 -20.565 7.332 -3.454 459 HA2 GLY 66 HA1 GLY 66 -19.086 5.247 -4.329 460 HA3 GLY 66 HA2 GLY 66 -19.682 6.524 -5.371 461 H GLU 67 HN GLU 67 -17.976 8.569 -3.797 462 HA GLU 67 HA GLU 67 -15.747 8.364 -5.507 463 HB2 GLU 67 HB2 GLU 67 -16.455 10.258 -3.231 464 HB3 GLU 67 HB3 GLU 67 -14.980 10.422 -4.164 465 HG2 GLU 67 HG2 GLU 67 -17.716 10.277 -5.498 466 HG3 GLU 67 HG3 GLU 67 -17.039 11.796 -4.944 467 HE2 GLU 67 HE2 GLU 67 -16.667 9.349 -7.380 468 H CYS 68 HN CYS 68 -16.380 7.746 -2.027 469 HA CYS 68 HA CYS 68 -13.581 7.078 -1.647 470 HB2 CYS 68 HB2 CYS 68 -15.838 7.812 0.128 471 HB3 CYS 68 HB3 CYS 68 -14.762 6.585 0.765 472 H HIS 69 HN HIS 69 -16.872 5.755 -1.423 473 HA HIS 69 HA HIS 69 -15.843 2.989 -1.122 474 HB2 HIS 69 HB2 HIS 69 -18.662 4.199 -1.060 475 HB3 HIS 69 HB3 HIS 69 -18.275 2.441 -0.817 476 HD1 HIS 69 HD1 HIS 69 -16.793 1.932 1.314 477 HD2 HIS 69 HD2 HIS 69 -18.589 5.706 1.233 478 HE1 HIS 69 HE1 HIS 69 -16.751 2.801 3.740 479 H LYS 70 HN LYS 70 -16.075 1.356 -2.672 480 HA LYS 70 HA LYS 70 -17.594 1.731 -5.028 481 HB2 LYS 70 HB2 LYS 70 -15.197 3.087 -5.119 482 HB3 LYS 70 HB3 LYS 70 -14.776 1.554 -5.856 483 HG2 LYS 70 HG2 LYS 70 -17.345 2.902 -6.703 484 HG3 LYS 70 HG3 LYS 70 -15.830 3.542 -7.306 485 HD2 LYS 70 HD2 LYS 70 -15.250 1.464 -8.376 486 HD3 LYS 70 HD3 LYS 70 -16.469 0.572 -7.489 487 HE2 LYS 70 HE2 LYS 70 -17.318 2.856 -9.293 488 HE3 LYS 70 HE3 LYS 70 -16.924 1.302 -10.001 489 HZ1 LYS 70 HZ1 LYS 70 -18.783 0.365 -9.111 490 HZ2 LYS 70 HZ2 LYS 70 -18.702 1.185 -7.706 491 H LYS 71 HN LYS 71 -18.032 -0.255 -5.934 492 HA LYS 71 HA LYS 71 -16.768 -2.505 -4.590 493 HB2 LYS 71 HB2 LYS 71 -18.644 -3.796 -5.603 494 HB3 LYS 71 HB3 LYS 71 -19.158 -2.517 -4.522 495 HG2 LYS 71 HG2 LYS 71 -20.318 -1.488 -6.179 496 HG3 LYS 71 HG3 LYS 71 -18.906 -1.445 -7.215 497 HD2 LYS 71 HD2 LYS 71 -19.900 -4.174 -7.077 498 HD3 LYS 71 HD3 LYS 71 -21.225 -3.101 -7.483 499 HE2 LYS 71 HE2 LYS 71 -19.410 -2.054 -9.170 500 HE3 LYS 71 HE3 LYS 71 -18.679 -3.639 -9.015 501 HZ1 LYS 71 HZ1 LYS 71 -20.213 -3.802 -10.792 502 HZ2 LYS 71 HZ2 LYS 71 -20.984 -4.535 -9.560 Start of MODEL 10 1 H1 ALA 1 HN ALA 1 2.040 -0.004 0.743 2 HA ALA 1 HA ALA 1 3.806 1.265 0.313 3 HB1 ALA 1 HB1 ALA 1 4.334 -0.523 -1.232 4 HB2 ALA 1 HB2 ALA 1 3.269 0.172 -2.477 5 HB3 ALA 1 HB3 ALA 1 4.762 1.021 -2.007 6 H ASP 2 HN ASP 2 1.561 1.737 -2.515 7 HA ASP 2 HA ASP 2 1.771 4.586 -1.936 8 HB2 ASP 2 HB2 ASP 2 2.060 3.058 -4.494 9 HB3 ASP 2 HB3 ASP 2 1.115 4.530 -4.602 10 HD2 ASP 2 HD2 ASP 2 2.418 5.902 -5.503 11 H ASP 3 HN ASP 3 -0.154 1.921 -1.734 12 HA ASP 3 HA ASP 3 -2.534 3.509 -2.110 13 HB2 ASP 3 HB2 ASP 3 -2.029 0.777 -3.369 14 HB3 ASP 3 HB3 ASP 3 -3.645 1.419 -3.149 15 HD2 ASP 3 HD2 ASP 3 -0.832 2.491 -5.530 16 H ILE 4 HN ILE 4 -3.877 3.176 -0.313 17 HA ILE 4 HA ILE 4 -3.369 0.741 1.253 18 HB ILE 4 HB ILE 4 -4.084 3.507 2.233 19 HG12 ILE 4 HG1 ILE 4 -1.507 1.964 2.111 20 HG23 ILE 4 HG2 ILE 4 -4.114 2.674 4.426 21 HD11 ILE 4 HD1 ILE 4 -2.305 4.102 4.136 22 H VAL 5 HN VAL 5 -5.021 -0.658 0.994 23 HA VAL 5 HA VAL 5 -7.632 0.411 0.311 24 HB VAL 5 HB VAL 5 -6.510 -2.393 0.455 25 HG13 VAL 5 HG1 VAL 5 -8.552 -3.209 -0.467 26 HG21 VAL 5 HG2 VAL 5 -6.470 -2.342 -1.939 27 H LEU 6 HN LEU 6 -9.293 0.628 1.738 28 HA LEU 6 HA LEU 6 -8.820 -0.462 4.420 29 HB2 LEU 6 HB2 LEU 6 -10.686 1.778 3.654 30 HB3 LEU 6 HB3 LEU 6 -10.183 1.299 5.263 31 HG LEU 6 HG LEU 6 -8.137 2.241 3.269 32 HD13 LEU 6 HD1 LEU 6 -10.090 3.945 4.804 33 HD21 LEU 6 HD2 LEU 6 -8.207 1.564 6.094 34 H LYS 7 HN LYS 7 -9.594 -2.584 4.000 35 HA LYS 7 HA LYS 7 -11.840 -3.267 2.626 36 HB2 LYS 7 HB2 LYS 7 -11.892 -5.271 4.157 37 HB3 LYS 7 HB3 LYS 7 -10.363 -4.962 3.361 38 HG2 LYS 7 HG2 LYS 7 -9.282 -4.447 5.327 39 HG3 LYS 7 HG3 LYS 7 -10.663 -3.594 5.988 40 HD2 LYS 7 HD2 LYS 7 -11.788 -5.858 6.354 41 HD3 LYS 7 HD3 LYS 7 -10.287 -6.621 5.868 42 HE2 LYS 7 HE2 LYS 7 -9.080 -5.662 7.742 43 HE3 LYS 7 HE3 LYS 7 -10.397 -4.571 8.122 44 HZ1 LYS 7 HZ1 LYS 7 -10.224 -6.697 9.496 45 HZ2 LYS 7 HZ2 LYS 7 -11.704 -6.353 8.912 46 H ALA 8 HN ALA 8 -13.949 -2.743 2.783 47 HA ALA 8 HA ALA 8 -14.899 -1.912 5.439 48 HB1 ALA 8 HB1 ALA 8 -15.639 -0.015 4.492 49 HB2 ALA 8 HB2 ALA 8 -14.831 -0.493 2.980 50 HB3 ALA 8 HB3 ALA 8 -16.531 -0.937 3.259 51 H LYS 9 HN LYS 9 -17.267 -2.351 5.803 52 HA LYS 9 HA LYS 9 -17.855 -5.002 4.775 53 HB2 LYS 9 HB2 LYS 9 -17.887 -4.360 7.248 54 HB3 LYS 9 HB3 LYS 9 -19.354 -3.466 6.906 55 HG2 LYS 9 HG2 LYS 9 -20.606 -5.364 6.825 56 HG3 LYS 9 HG3 LYS 9 -19.487 -6.141 5.722 57 HD2 LYS 9 HD2 LYS 9 -18.100 -6.097 8.180 58 HD3 LYS 9 HD3 LYS 9 -19.752 -6.460 8.634 59 HE2 LYS 9 HE2 LYS 9 -19.154 -8.019 6.289 60 HE3 LYS 9 HE3 LYS 9 -17.806 -8.205 7.393 61 HZ1 LYS 9 HZ1 LYS 9 -19.214 -9.062 9.048 62 HZ2 LYS 9 HZ2 LYS 9 -20.577 -8.470 8.383 63 H ASN 10 HN ASN 10 -18.137 -2.157 3.390 64 HA ASN 10 HA ASN 10 -20.531 -2.922 2.055 65 HB2 ASN 10 HB2 ASN 10 -21.775 -0.853 2.439 66 HB3 ASN 10 HB3 ASN 10 -21.358 -1.514 4.008 67 HD21 ASN 10 HD2 ASN 10 -18.606 0.856 4.519 68 H GLY 11 HN GLY 11 -18.066 -2.969 0.952 69 HA2 GLY 11 HA1 GLY 11 -17.333 -2.179 -1.126 70 HA3 GLY 11 HA2 GLY 11 -18.022 -0.604 -0.787 71 H ASP 12 HN ASP 12 -15.154 -1.841 -1.394 72 HA ASP 12 HA ASP 12 -13.672 -1.137 0.896 73 HB2 ASP 12 HB2 ASP 12 -12.436 -1.167 -1.853 74 HB3 ASP 12 HB3 ASP 12 -11.791 -1.797 -0.350 75 HD2 ASP 12 HD2 ASP 12 -13.843 -4.272 -0.037 76 H VAL 13 HN VAL 13 -11.791 0.594 0.616 77 HA VAL 13 HA VAL 13 -12.843 2.899 -0.873 78 HB VAL 13 HB VAL 13 -11.629 2.784 1.893 79 HG13 VAL 13 HG1 VAL 13 -12.341 5.210 0.209 80 HG21 VAL 13 HG2 VAL 13 -14.165 4.212 1.485 81 H LYS 14 HN LYS 14 -11.386 3.961 -2.175 82 HA LYS 14 HA LYS 14 -8.719 2.777 -2.255 83 HB2 LYS 14 HB2 LYS 14 -10.616 3.753 -4.232 84 HB3 LYS 14 HB3 LYS 14 -9.050 4.514 -4.433 85 HG2 LYS 14 HG2 LYS 14 -9.626 1.519 -4.337 86 HG3 LYS 14 HG3 LYS 14 -9.088 2.439 -5.728 87 HD2 LYS 14 HD2 LYS 14 -7.246 2.886 -3.522 88 HD3 LYS 14 HD3 LYS 14 -7.473 1.162 -3.737 89 HE2 LYS 14 HE2 LYS 14 -6.665 3.144 -5.918 90 HE3 LYS 14 HE3 LYS 14 -5.609 1.976 -5.151 91 HZ1 LYS 14 HZ1 LYS 14 -7.933 1.370 -6.891 92 HZ2 LYS 14 HZ2 LYS 14 -6.370 1.024 -7.188 93 H PHE 15 HN PHE 15 -7.112 3.792 -1.194 94 HA PHE 15 HA PHE 15 -7.181 6.717 -1.184 95 HB2 PHE 15 HB2 PHE 15 -8.023 5.665 0.999 96 HB3 PHE 15 HB3 PHE 15 -6.499 4.811 1.135 97 HD1 PHE 15 HD1 PHE 15 -7.422 8.356 0.371 98 HD2 PHE 15 HD2 PHE 15 -5.192 5.689 2.806 99 HE1 PHE 15 HE1 PHE 15 -6.439 10.307 1.607 100 HE2 PHE 15 HE2 PHE 15 -4.208 7.640 4.041 101 HZ PHE 15 HZ PHE 15 -4.844 9.926 3.428 102 HA PRO 16 HA PRO 16 -3.062 5.621 -2.590 103 HB2 PRO 16 HB2 PRO 16 -2.669 7.922 -4.021 104 HB3 PRO 16 HB3 PRO 16 -3.738 6.603 -4.598 105 HG2 PRO 16 HG2 PRO 16 -4.771 9.344 -3.382 106 HG3 PRO 16 HG3 PRO 16 -4.977 8.092 -4.650 107 HD2 PRO 16 HD2 PRO 16 -6.128 8.227 -1.937 108 HD3 PRO 16 HD3 PRO 16 -6.458 7.031 -3.228 109 H HIS 17 HN HIS 17 -2.335 5.746 -0.370 110 HA HIS 17 HA HIS 17 -1.964 8.077 1.152 111 HB2 HIS 17 HB2 HIS 17 -1.747 5.686 1.885 112 HB3 HIS 17 HB3 HIS 17 -0.143 5.610 1.037 113 HD1 HIS 17 HD1 HIS 17 1.815 6.499 2.234 114 HD2 HIS 17 HD2 HIS 17 -1.744 7.325 4.262 115 HE1 HIS 17 HE1 HIS 17 2.501 7.388 4.554 116 H LYS 18 HN LYS 18 0.499 6.485 -1.051 117 HA LYS 18 HA LYS 18 2.528 8.214 -0.819 118 HB2 LYS 18 HB2 LYS 18 3.031 6.529 -2.260 119 HB3 LYS 18 HB3 LYS 18 1.455 6.546 -3.026 120 HG2 LYS 18 HG2 LYS 18 3.241 8.945 -3.430 121 HG3 LYS 18 HG3 LYS 18 3.651 7.469 -4.281 122 HD2 LYS 18 HD2 LYS 18 1.083 7.458 -4.954 123 HD3 LYS 18 HD3 LYS 18 1.144 9.156 -4.525 124 HE2 LYS 18 HE2 LYS 18 2.416 9.715 -6.359 125 HE3 LYS 18 HE3 LYS 18 3.406 8.273 -6.243 126 HZ1 LYS 18 HZ1 LYS 18 2.095 7.242 -7.739 127 HZ2 LYS 18 HZ2 LYS 18 0.712 7.640 -6.977 128 H ALA 19 HN ALA 19 -0.581 8.790 -2.497 129 HA ALA 19 HA ALA 19 0.228 11.225 -3.685 130 HB1 ALA 19 HB1 ALA 19 -1.713 9.672 -4.320 131 HB2 ALA 19 HB2 ALA 19 -2.597 10.390 -2.952 132 HB3 ALA 19 HB3 ALA 19 -2.065 11.417 -4.305 133 H HIS 20 HN HIS 20 -1.468 10.309 -0.711 134 HA HIS 20 HA HIS 20 -1.743 13.080 0.204 135 HB2 HIS 20 HB2 HIS 20 -2.404 10.314 1.302 136 HB3 HIS 20 HB3 HIS 20 -2.501 11.792 2.352 137 HD1 HIS 20 HD1 HIS 20 -3.817 10.761 -1.062 138 HD2 HIS 20 HD2 HIS 20 -5.026 12.777 2.395 139 HE1 HIS 20 HE1 HIS 20 -6.275 11.439 -1.446 140 H GLN 21 HN GLN 21 0.967 11.326 -0.238 141 HA GLN 21 HA GLN 21 2.094 11.993 2.356 142 HB2 GLN 21 HB2 GLN 21 2.341 9.654 1.255 143 HB3 GLN 21 HB3 GLN 21 3.467 10.416 0.149 144 HG2 GLN 21 HG2 GLN 21 4.824 11.215 2.115 145 HG3 GLN 21 HG3 GLN 21 3.714 10.393 3.195 146 HE21 GLN 21 HE2 GLN 21 4.762 7.092 2.447 147 H LYS 22 HN LYS 22 1.507 13.537 -0.468 148 HA LYS 22 HA LYS 22 3.784 15.274 -0.099 149 HB2 LYS 22 HB2 LYS 22 3.947 13.283 -2.055 150 HB3 LYS 22 HB3 LYS 22 3.470 14.716 -2.944 151 HG2 LYS 22 HG2 LYS 22 5.604 15.132 -0.889 152 HG3 LYS 22 HG3 LYS 22 6.061 14.138 -2.257 153 HD2 LYS 22 HD2 LYS 22 6.289 15.985 -3.549 154 HD3 LYS 22 HD3 LYS 22 4.602 16.386 -3.301 155 HE2 LYS 22 HE2 LYS 22 6.333 17.011 -0.966 156 HE3 LYS 22 HE3 LYS 22 6.749 17.909 -2.413 157 HZ1 LYS 22 HZ1 LYS 22 4.151 18.259 -2.486 158 HZ2 LYS 22 HZ2 LYS 22 4.249 17.985 -0.884 159 H ALA 23 HN ALA 23 0.717 15.079 0.175 160 HA ALA 23 HA ALA 23 0.137 17.426 -1.502 161 HB1 ALA 23 HB1 ALA 23 -2.145 15.823 -0.513 162 HB2 ALA 23 HB2 ALA 23 -1.837 16.500 -2.130 163 HB3 ALA 23 HB3 ALA 23 -1.081 14.962 -1.652 164 H VAL 24 HN VAL 24 1.114 16.615 1.483 165 HA VAL 24 HA VAL 24 -0.729 18.516 2.759 166 HB VAL 24 HB VAL 24 0.799 16.409 4.251 167 HG13 VAL 24 HG1 VAL 24 -1.137 16.648 5.816 168 HG21 VAL 24 HG2 VAL 24 -0.291 14.891 2.935 169 HA PRO 25 HA PRO 25 3.165 20.824 2.052 170 HB2 PRO 25 HB2 PRO 25 1.261 22.587 3.666 171 HB3 PRO 25 HB3 PRO 25 2.426 23.021 2.373 172 HG2 PRO 25 HG2 PRO 25 -0.176 22.585 1.902 173 HG3 PRO 25 HG3 PRO 25 0.924 22.129 0.560 174 HD2 PRO 25 HD2 PRO 25 -0.685 20.414 2.364 175 HD3 PRO 25 HD3 PRO 25 0.230 19.947 0.899 176 H ASP 26 HN ASP 26 1.261 20.165 5.061 177 HA ASP 26 HA ASP 26 3.826 20.065 6.415 178 HB2 ASP 26 HB2 ASP 26 2.374 22.231 6.838 179 HB3 ASP 26 HB3 ASP 26 1.356 21.171 7.795 180 HD2 ASP 26 HD2 ASP 26 3.814 20.825 10.310 181 H CYS 27 HN CYS 27 3.776 17.767 6.591 182 HA CYS 27 HA CYS 27 1.487 16.270 6.993 183 HB2 CYS 27 HB2 CYS 27 3.898 15.590 6.296 184 HB3 CYS 27 HB3 CYS 27 4.178 15.406 8.015 185 H LYS 28 HN LYS 28 1.665 14.670 9.198 186 HA LYS 28 HA LYS 28 1.602 14.538 11.432 187 HB2 LYS 28 HB2 LYS 28 3.382 16.555 11.224 188 HB3 LYS 28 HB3 LYS 28 2.061 17.428 11.975 189 HG2 LYS 28 HG2 LYS 28 1.941 15.706 13.782 190 HG3 LYS 28 HG3 LYS 28 3.247 14.815 13.026 191 HD2 LYS 28 HD2 LYS 28 3.653 17.732 13.735 192 HD3 LYS 28 HD3 LYS 28 3.764 16.519 14.994 193 HE2 LYS 28 HE2 LYS 28 5.553 15.344 13.804 194 HE3 LYS 28 HE3 LYS 28 5.346 16.354 12.387 195 HZ1 LYS 28 HZ1 LYS 28 6.440 17.153 15.014 196 HZ2 LYS 28 HZ2 LYS 28 7.135 17.309 13.549 197 H LYS 29 HN LYS 29 -0.243 16.289 9.273 198 HA LYS 29 HA LYS 29 -2.102 17.540 10.951 199 HB2 LYS 29 HB2 LYS 29 -1.884 18.097 8.598 200 HB3 LYS 29 HB3 LYS 29 -2.341 16.473 8.124 201 HG2 LYS 29 HG2 LYS 29 -4.273 18.013 7.942 202 HG3 LYS 29 HG3 LYS 29 -4.583 16.770 9.138 203 HD2 LYS 29 HD2 LYS 29 -3.264 19.049 10.398 204 HD3 LYS 29 HD3 LYS 29 -4.674 19.594 9.513 205 HE2 LYS 29 HE2 LYS 29 -5.798 17.445 10.700 206 HE3 LYS 29 HE3 LYS 29 -4.515 17.712 11.862 207 HZ1 LYS 29 HZ1 LYS 29 -5.331 20.140 11.822 208 HZ2 LYS 29 HZ2 LYS 29 -6.687 19.571 11.124 209 H CYS 30 HN CYS 30 -2.141 14.290 9.330 210 HA CYS 30 HA CYS 30 -4.449 13.575 10.895 211 HB2 CYS 30 HB2 CYS 30 -3.004 11.566 9.216 212 HB3 CYS 30 HB3 CYS 30 -4.724 11.793 9.465 213 H HIS 31 HN HIS 31 -1.031 12.706 10.469 214 HA HIS 31 HA HIS 31 -1.026 10.819 12.716 215 HB2 HIS 31 HB2 HIS 31 1.193 11.960 10.930 216 HB3 HIS 31 HB3 HIS 31 1.414 10.658 12.176 217 HD1 HIS 31 HD1 HIS 31 -0.667 8.720 11.626 218 HD2 HIS 31 HD2 HIS 31 1.228 10.754 8.504 219 HE1 HIS 31 HE1 HIS 31 -0.962 7.252 9.529 220 H GLU 32 HN GLU 32 -2.044 13.155 13.724 221 HA GLU 32 HA GLU 32 -0.050 14.873 14.696 222 HB2 GLU 32 HB2 GLU 32 -1.862 15.805 16.096 223 HB3 GLU 32 HB3 GLU 32 -2.402 15.574 14.445 224 HG2 GLU 32 HG2 GLU 32 -3.948 13.992 15.038 225 HG3 GLU 32 HG3 GLU 32 -2.845 13.186 16.137 226 HE2 GLU 32 HE2 GLU 32 -5.540 14.166 16.256 227 H LYS 33 HN LYS 33 1.332 12.835 15.344 228 HA LYS 33 HA LYS 33 1.754 12.819 18.003 229 HB2 LYS 33 HB2 LYS 33 -0.010 11.815 18.938 230 HB3 LYS 33 HB3 LYS 33 -0.628 11.254 17.398 231 HG2 LYS 33 HG2 LYS 33 0.794 9.294 17.426 232 HG3 LYS 33 HG3 LYS 33 1.757 9.923 18.749 233 HD2 LYS 33 HD2 LYS 33 -0.665 9.959 19.971 234 HD3 LYS 33 HD3 LYS 33 -0.984 8.686 18.811 235 HE2 LYS 33 HE2 LYS 33 1.047 7.455 19.599 236 HE3 LYS 33 HE3 LYS 33 1.375 8.730 20.754 237 HZ1 LYS 33 HZ1 LYS 33 -1.050 8.209 21.527 238 HZ2 LYS 33 HZ2 LYS 33 -0.820 6.775 20.791 239 H GLY 34 HN GLY 34 1.339 10.488 15.259 240 HA2 GLY 34 HA1 GLY 34 3.971 10.227 14.592 241 HA3 GLY 34 HA2 GLY 34 3.761 9.086 15.906 242 HA PRO 35 HA PRO 35 2.259 7.628 11.529 243 HB2 PRO 35 HB2 PRO 35 4.380 5.839 11.171 244 HB3 PRO 35 HB3 PRO 35 4.325 7.512 10.526 245 HG2 PRO 35 HG2 PRO 35 5.682 6.570 13.231 246 HG3 PRO 35 HG3 PRO 35 6.374 7.558 11.902 247 HD2 PRO 35 HD2 PRO 35 5.245 8.762 14.037 248 HD3 PRO 35 HD3 PRO 35 4.876 9.372 12.396 249 H GLY 36 HN GLY 36 2.779 4.796 11.182 250 HA2 GLY 36 HA1 GLY 36 2.317 2.760 12.069 251 HA3 GLY 36 HA2 GLY 36 2.312 3.452 13.679 252 H LYS 37 HN LYS 37 0.388 1.575 13.144 253 HA LYS 37 HA LYS 37 -1.942 2.308 11.959 254 HB2 LYS 37 HB2 LYS 37 -2.950 0.586 13.168 255 HB3 LYS 37 HB3 LYS 37 -1.266 0.109 13.087 256 HG2 LYS 37 HG2 LYS 37 -1.590 -0.194 15.358 257 HG3 LYS 37 HG3 LYS 37 -1.126 1.495 15.392 258 HD2 LYS 37 HD2 LYS 37 -3.138 2.048 16.274 259 HD3 LYS 37 HD3 LYS 37 -3.949 1.415 14.855 260 HE2 LYS 37 HE2 LYS 37 -3.006 -0.402 17.115 261 HE3 LYS 37 HE3 LYS 37 -4.583 0.363 17.138 262 HZ1 LYS 37 HZ1 LYS 37 -3.590 -1.686 15.276 263 HZ2 LYS 37 HZ2 LYS 37 -5.012 -1.636 16.068 264 H ILE 38 HN ILE 38 -3.105 4.144 12.110 265 HA ILE 38 HA ILE 38 -2.804 6.002 14.131 266 HB ILE 38 HB ILE 38 -4.888 5.492 12.038 267 HG12 ILE 38 HG1 ILE 38 -2.728 7.567 12.472 268 HG23 ILE 38 HG2 ILE 38 -5.952 7.637 12.629 269 HD11 ILE 38 HD1 ILE 38 -4.258 8.958 11.443 270 H GLU 39 HN GLU 39 -3.813 6.415 16.088 271 HA GLU 39 HA GLU 39 -4.499 4.560 17.745 272 HB2 GLU 39 HB2 GLU 39 -4.765 7.287 17.747 273 HB3 GLU 39 HB3 GLU 39 -6.451 6.817 17.848 274 HG2 GLU 39 HG2 GLU 39 -6.224 6.220 20.025 275 HG3 GLU 39 HG3 GLU 39 -4.889 5.150 19.648 276 HE2 GLU 39 HE2 GLU 39 -4.368 6.168 21.780 277 H GLY 40 HN GLY 40 -5.550 2.685 17.047 278 HA2 GLY 40 HA1 GLY 40 -7.195 1.482 15.951 279 HA3 GLY 40 HA2 GLY 40 -8.052 2.091 17.353 280 H PHE 41 HN PHE 41 -7.292 2.770 13.894 281 HA PHE 41 HA PHE 41 -8.831 4.970 13.475 282 HB2 PHE 41 HB2 PHE 41 -7.340 3.771 11.830 283 HB3 PHE 41 HB3 PHE 41 -8.457 2.420 11.792 284 HD1 PHE 41 HD1 PHE 41 -10.942 3.090 11.108 285 HD2 PHE 41 HD2 PHE 41 -7.473 5.335 10.140 286 HE1 PHE 41 HE1 PHE 41 -12.167 4.157 9.196 287 HE2 PHE 41 HE2 PHE 41 -8.699 6.402 8.226 288 HZ PHE 41 HZ PHE 41 -11.031 5.801 7.777 289 H GLY 42 HN GLY 42 -11.005 5.430 13.041 290 HA2 GLY 42 HA1 GLY 42 -12.885 3.164 13.310 291 HA3 GLY 42 HA2 GLY 42 -13.087 4.644 14.226 292 H LYS 43 HN LYS 43 -15.063 3.667 12.412 293 HA LYS 43 HA LYS 43 -14.814 4.908 9.885 294 HB2 LYS 43 HB2 LYS 43 -17.099 3.685 11.431 295 HB3 LYS 43 HB3 LYS 43 -17.362 4.477 9.891 296 HG2 LYS 43 HG2 LYS 43 -16.985 2.249 9.234 297 HG3 LYS 43 HG3 LYS 43 -15.400 2.964 9.017 298 HD2 LYS 43 HD2 LYS 43 -15.825 1.963 11.767 299 HD3 LYS 43 HD3 LYS 43 -15.981 0.701 10.561 300 HE2 LYS 43 HE2 LYS 43 -13.750 1.610 9.566 301 HE3 LYS 43 HE3 LYS 43 -13.586 2.516 11.056 302 HZ1 LYS 43 HZ1 LYS 43 -13.275 -0.319 10.634 303 HZ2 LYS 43 HZ2 LYS 43 -12.658 0.614 11.818 304 H GLU 44 HN GLU 44 -16.724 5.750 12.861 305 HA GLU 44 HA GLU 44 -17.873 8.001 12.065 306 HB2 GLU 44 HB2 GLU 44 -18.052 8.606 14.341 307 HB3 GLU 44 HB3 GLU 44 -17.824 6.869 14.398 308 HG2 GLU 44 HG2 GLU 44 -15.531 8.869 14.656 309 HG3 GLU 44 HG3 GLU 44 -16.388 8.205 16.034 310 HE2 GLU 44 HE2 GLU 44 -16.521 5.427 15.085 311 H MET 45 HN MET 45 -14.405 7.585 12.899 312 HA MET 45 HA MET 45 -13.822 10.327 12.805 313 HB2 MET 45 HB2 MET 45 -12.479 7.814 13.311 314 HB3 MET 45 HB3 MET 45 -11.535 8.665 12.105 315 HG2 MET 45 HG2 MET 45 -10.607 9.671 13.964 316 HG3 MET 45 HG3 MET 45 -11.984 10.741 13.800 317 HE1 MET 45 HE1 MET 45 -11.966 11.423 16.347 318 HE2 MET 45 HE2 MET 45 -11.770 10.239 17.661 319 HE3 MET 45 HE3 MET 45 -10.475 10.459 16.461 320 H ALA 46 HN ALA 46 -13.741 7.651 10.402 321 HA ALA 46 HA ALA 46 -12.321 8.824 8.390 322 HB1 ALA 46 HB1 ALA 46 -12.925 6.876 7.453 323 HB2 ALA 46 HB2 ALA 46 -14.108 6.620 8.758 324 HB3 ALA 46 HB3 ALA 46 -14.594 7.469 7.272 325 H HIS 47 HN HIS 47 -15.882 8.817 8.613 326 HA HIS 47 HA HIS 47 -16.294 10.861 6.665 327 HB2 HIS 47 HB2 HIS 47 -18.117 10.031 8.988 328 HB3 HIS 47 HB3 HIS 47 -18.602 10.852 7.442 329 HD1 HIS 47 HD1 HIS 47 -19.333 7.939 8.791 330 HD2 HIS 47 HD2 HIS 47 -17.165 8.750 5.311 331 HE1 HIS 47 HE1 HIS 47 -19.512 5.827 7.325 332 H GLY 48 HN GLY 48 -15.003 11.052 9.861 333 HA2 GLY 48 HA1 GLY 48 -15.978 13.732 10.403 334 HA3 GLY 48 HA2 GLY 48 -14.884 12.769 11.376 335 H LYS 49 HN LYS 49 -13.263 14.350 11.647 336 HA LYS 49 HA LYS 49 -12.161 15.567 9.256 337 HB2 LYS 49 HB2 LYS 49 -12.082 16.090 12.181 338 HB3 LYS 49 HB3 LYS 49 -10.640 16.515 11.282 339 HG2 LYS 49 HG2 LYS 49 -11.662 18.378 10.502 340 HG3 LYS 49 HG3 LYS 49 -12.873 17.391 9.710 341 HD2 LYS 49 HD2 LYS 49 -13.091 17.951 12.684 342 HD3 LYS 49 HD3 LYS 49 -13.619 19.158 11.528 343 HE2 LYS 49 HE2 LYS 49 -14.807 16.880 10.497 344 HE3 LYS 49 HE3 LYS 49 -14.843 16.530 12.213 345 HZ1 LYS 49 HZ1 LYS 49 -15.726 18.995 12.318 346 HZ2 LYS 49 HZ2 LYS 49 -16.173 18.713 10.778 347 H GLY 50 HN GLY 50 -11.848 12.893 8.978 348 HA2 GLY 50 HA1 GLY 50 -8.955 12.608 9.240 349 HA3 GLY 50 HA2 GLY 50 -9.943 11.404 10.044 350 H CYS 51 HN CYS 51 -11.210 12.946 7.126 351 HA CYS 51 HA CYS 51 -10.095 11.269 5.221 352 HB2 CYS 51 HB2 CYS 51 -11.643 9.716 6.784 353 HB3 CYS 51 HB3 CYS 51 -12.861 10.282 5.658 354 H LYS 52 HN LYS 52 -13.573 12.074 5.922 355 HA LYS 52 HA LYS 52 -13.683 13.558 3.447 356 HB2 LYS 52 HB2 LYS 52 -15.509 12.080 3.888 357 HB3 LYS 52 HB3 LYS 52 -15.751 12.732 5.496 358 HG2 LYS 52 HG2 LYS 52 -15.853 14.795 3.365 359 HG3 LYS 52 HG3 LYS 52 -17.089 13.565 3.198 360 HD2 LYS 52 HD2 LYS 52 -17.434 13.974 5.810 361 HD3 LYS 52 HD3 LYS 52 -16.640 15.500 5.481 362 HE2 LYS 52 HE2 LYS 52 -18.561 16.350 4.630 363 HE3 LYS 52 HE3 LYS 52 -18.605 15.091 3.413 364 HZ1 LYS 52 HZ1 LYS 52 -19.427 13.815 5.684 365 HZ2 LYS 52 HZ2 LYS 52 -20.125 15.278 5.836 366 H GLY 53 HN GLY 53 -14.299 14.183 6.973 367 HA2 GLY 53 HA1 GLY 53 -14.922 16.753 7.089 368 HA3 GLY 53 HA2 GLY 53 -13.737 16.044 8.168 369 H CYS 54 HN CYS 54 -11.531 15.566 6.532 370 HA CYS 54 HA CYS 54 -10.285 17.988 6.473 371 HB2 CYS 54 HB2 CYS 54 -9.589 15.339 5.909 372 HB3 CYS 54 HB3 CYS 54 -9.238 16.192 4.420 373 H HIS 55 HN HIS 55 -11.194 16.100 3.579 374 HA HIS 55 HA HIS 55 -10.899 17.946 1.576 375 HB2 HIS 55 HB2 HIS 55 -13.265 16.012 1.860 376 HB3 HIS 55 HB3 HIS 55 -12.593 16.706 0.322 377 HD1 HIS 55 HD1 HIS 55 -12.872 13.652 1.239 378 HD2 HIS 55 HD2 HIS 55 -9.363 15.916 1.077 379 HE1 HIS 55 HE1 HIS 55 -10.940 11.965 0.985 380 H GLU 56 HN GLU 56 -13.787 17.688 3.787 381 HA GLU 56 HA GLU 56 -15.270 19.647 2.570 382 HB2 GLU 56 HB2 GLU 56 -16.361 18.317 4.198 383 HB3 GLU 56 HB3 GLU 56 -15.118 18.591 5.403 384 HG2 GLU 56 HG2 GLU 56 -16.642 20.985 4.374 385 HG3 GLU 56 HG3 GLU 56 -17.464 19.901 5.479 386 HE2 GLU 56 HE2 GLU 56 -16.135 19.371 7.376 387 H GLU 57 HN GLU 57 -12.683 19.875 5.070 388 HA GLU 57 HA GLU 57 -13.037 22.707 5.244 389 HB2 GLU 57 HB2 GLU 57 -11.531 20.608 6.687 390 HB3 GLU 57 HB3 GLU 57 -10.640 22.108 6.528 391 HG2 GLU 57 HG2 GLU 57 -13.516 21.963 7.546 392 HG3 GLU 57 HG3 GLU 57 -12.118 21.943 8.603 393 HE2 GLU 57 HE2 GLU 57 -14.206 24.268 7.176 394 H MET 58 HN MET 58 -10.454 20.417 4.108 395 HA MET 58 HA MET 58 -8.756 22.382 3.178 396 HB2 MET 58 HB2 MET 58 -8.831 19.573 3.329 397 HB3 MET 58 HB3 MET 58 -8.807 19.858 1.600 398 HG2 MET 58 HG2 MET 58 -6.857 21.333 3.400 399 HG3 MET 58 HG3 MET 58 -6.520 19.682 2.919 400 HE1 MET 58 HE1 MET 58 -4.524 22.487 1.403 401 HE2 MET 58 HE2 MET 58 -4.534 21.028 2.422 402 HE3 MET 58 HE3 MET 58 -4.135 20.902 0.692 403 H LYS 59 HN LYS 59 -11.853 21.465 2.026 404 HA LYS 59 HA LYS 59 -13.009 21.902 0.196 405 HB2 LYS 59 HB2 LYS 59 -11.458 24.213 0.761 406 HB3 LYS 59 HB3 LYS 59 -11.467 24.030 -0.981 407 HG2 LYS 59 HG2 LYS 59 -14.095 23.493 -0.470 408 HG3 LYS 59 HG3 LYS 59 -13.754 24.545 0.889 409 HD2 LYS 59 HD2 LYS 59 -13.922 26.347 -0.473 410 HD3 LYS 59 HD3 LYS 59 -12.539 25.778 -1.386 411 HE2 LYS 59 HE2 LYS 59 -14.257 24.197 -2.596 412 HE3 LYS 59 HE3 LYS 59 -15.483 25.251 -1.921 413 HZ1 LYS 59 HZ1 LYS 59 -13.955 25.732 -4.188 414 HZ2 LYS 59 HZ2 LYS 59 -15.013 26.760 -3.497 415 H LYS 60 HN LYS 60 -10.429 20.147 0.162 416 HA LYS 60 HA LYS 60 -10.372 19.947 -2.763 417 HB2 LYS 60 HB2 LYS 60 -8.167 20.582 -0.994 418 HB3 LYS 60 HB3 LYS 60 -7.868 19.065 -1.816 419 HG2 LYS 60 HG2 LYS 60 -7.665 20.066 -3.870 420 HG3 LYS 60 HG3 LYS 60 -9.015 21.148 -3.590 421 HD2 LYS 60 HD2 LYS 60 -6.898 21.919 -1.790 422 HD3 LYS 60 HD3 LYS 60 -6.189 21.714 -3.380 423 HE2 LYS 60 HE2 LYS 60 -8.803 23.194 -3.252 424 HE3 LYS 60 HE3 LYS 60 -7.402 24.017 -2.597 425 HZ1 LYS 60 HZ1 LYS 60 -8.055 23.790 -5.270 426 HZ2 LYS 60 HZ2 LYS 60 -6.661 24.384 -4.673 427 H GLY 61 HN GLY 61 -10.533 17.864 -3.577 428 HA2 GLY 61 HA1 GLY 61 -10.217 15.516 -3.313 429 HA3 GLY 61 HA2 GLY 61 -10.532 15.676 -1.597 430 HA PRO 62 HA PRO 62 -14.571 14.773 -3.708 431 HB2 PRO 62 HB2 PRO 62 -14.636 12.060 -3.829 432 HB3 PRO 62 HB3 PRO 62 -13.728 13.029 -5.035 433 HG2 PRO 62 HG2 PRO 62 -12.369 11.367 -2.726 434 HG3 PRO 62 HG3 PRO 62 -12.048 11.941 -4.396 435 HD2 PRO 62 HD2 PRO 62 -11.438 13.217 -1.771 436 HD3 PRO 62 HD3 PRO 62 -10.817 13.633 -3.397 437 H THR 63 HN THR 63 -16.511 14.317 -2.508 438 HA THR 63 HA THR 63 -16.014 13.280 0.206 439 HB THR 63 HB THR 63 -17.689 14.938 0.975 440 HG1 THR 63 HG1 THR 63 -19.019 15.632 -0.648 441 HG21 THR 63 HG2 THR 63 -16.248 16.814 -0.786 442 H LYS 64 HN LYS 64 -17.746 13.039 -2.795 443 HA LYS 64 HA LYS 64 -20.111 11.891 -1.897 444 HB2 LYS 64 HB2 LYS 64 -19.956 12.638 -4.144 445 HB3 LYS 64 HB3 LYS 64 -18.541 11.658 -4.468 446 HG2 LYS 64 HG2 LYS 64 -20.246 10.369 -5.444 447 HG3 LYS 64 HG3 LYS 64 -20.088 9.616 -3.869 448 HD2 LYS 64 HD2 LYS 64 -21.920 11.597 -3.298 449 HD3 LYS 64 HD3 LYS 64 -22.324 11.258 -4.970 450 HE2 LYS 64 HE2 LYS 64 -22.136 8.701 -4.101 451 HE3 LYS 64 HE3 LYS 64 -22.514 9.455 -2.564 452 HZ1 LYS 64 HZ1 LYS 64 -24.599 9.024 -3.490 453 HZ2 LYS 64 HZ2 LYS 64 -24.401 10.587 -3.898 454 H CYS 65 HN CYS 65 -20.785 9.670 -1.714 455 HA CYS 65 HA CYS 65 -18.914 8.101 -0.344 456 HB2 CYS 65 HB2 CYS 65 -21.312 6.773 -1.463 457 HB3 CYS 65 HB3 CYS 65 -20.648 6.736 0.158 458 H GLY 66 HN GLY 66 -20.611 7.624 -3.538 459 HA2 GLY 66 HA1 GLY 66 -19.366 5.386 -4.444 460 HA3 GLY 66 HA2 GLY 66 -19.879 6.713 -5.468 461 H GLU 67 HN GLU 67 -17.949 8.593 -3.942 462 HA GLU 67 HA GLU 67 -15.788 8.158 -5.713 463 HB2 GLU 67 HB2 GLU 67 -16.297 10.185 -3.499 464 HB3 GLU 67 HB3 GLU 67 -14.829 10.192 -4.457 465 HG2 GLU 67 HG2 GLU 67 -17.600 10.248 -5.728 466 HG3 GLU 67 HG3 GLU 67 -16.750 11.712 -5.275 467 HE2 GLU 67 HE2 GLU 67 -16.252 12.431 -7.176 468 H CYS 68 HN CYS 68 -16.471 7.564 -2.262 469 HA CYS 68 HA CYS 68 -13.706 6.752 -1.862 470 HB2 CYS 68 HB2 CYS 68 -15.923 7.612 -0.071 471 HB3 CYS 68 HB3 CYS 68 -14.843 6.387 0.564 472 H HIS 69 HN HIS 69 -17.073 5.659 -1.444 473 HA HIS 69 HA HIS 69 -16.216 2.830 -1.213 474 HB2 HIS 69 HB2 HIS 69 -18.954 4.201 -0.996 475 HB3 HIS 69 HB3 HIS 69 -18.628 2.435 -0.716 476 HD1 HIS 69 HD1 HIS 69 -16.784 2.056 1.262 477 HD2 HIS 69 HD2 HIS 69 -18.927 5.644 1.307 478 HE1 HIS 69 HE1 HIS 69 -16.612 2.965 3.668 479 H LYS 70 HN LYS 70 -16.529 1.258 -2.775 480 HA LYS 70 HA LYS 70 -18.130 1.875 -5.094 481 HB2 LYS 70 HB2 LYS 70 -15.227 2.193 -5.103 482 HB3 LYS 70 HB3 LYS 70 -15.758 1.013 -6.284 483 HG2 LYS 70 HG2 LYS 70 -17.520 3.370 -6.249 484 HG3 LYS 70 HG3 LYS 70 -15.853 3.818 -6.556 485 HD2 LYS 70 HD2 LYS 70 -16.018 3.066 -8.686 486 HD3 LYS 70 HD3 LYS 70 -16.402 1.457 -8.109 487 HE2 LYS 70 HE2 LYS 70 -18.698 3.287 -7.850 488 HE3 LYS 70 HE3 LYS 70 -18.133 3.181 -9.506 489 HZ1 LYS 70 HZ1 LYS 70 -19.529 1.359 -9.373 490 HZ2 LYS 70 HZ2 LYS 70 -18.132 0.626 -8.970 491 H LYS 71 HN LYS 71 -19.272 0.073 -5.544 492 HA LYS 71 HA LYS 71 -18.293 -2.426 -4.414 493 HB2 LYS 71 HB2 LYS 71 -20.592 -3.225 -4.855 494 HB3 LYS 71 HB3 LYS 71 -20.542 -1.821 -3.808 495 HG2 LYS 71 HG2 LYS 71 -21.373 -0.370 -5.477 496 HG3 LYS 71 HG3 LYS 71 -20.834 -1.398 -6.790 497 HD2 LYS 71 HD2 LYS 71 -23.029 -2.049 -6.880 498 HD3 LYS 71 HD3 LYS 71 -22.591 -3.102 -5.550 499 HE2 LYS 71 HE2 LYS 71 -23.150 -1.006 -4.033 500 HE3 LYS 71 HE3 LYS 71 -24.009 -0.421 -5.444 501 HZ1 LYS 71 HZ1 LYS 71 -25.659 -1.877 -5.039 502 HZ2 LYS 71 HZ2 LYS 71 -24.652 -3.152 -4.929 Start of MODEL 11 1 H1 ALA 1 HN ALA 1 1.432 1.128 1.098 2 HA ALA 1 HA ALA 1 3.743 1.003 0.382 3 HB1 ALA 1 HB1 ALA 1 4.113 -1.322 0.273 4 HB2 ALA 1 HB2 ALA 1 2.683 -1.596 -0.751 5 HB3 ALA 1 HB3 ALA 1 4.130 -0.817 -1.434 6 H ASP 2 HN ASP 2 2.520 3.003 -0.240 7 HA ASP 2 HA ASP 2 2.362 4.428 -1.938 8 HB2 ASP 2 HB2 ASP 2 1.710 2.196 -3.895 9 HB3 ASP 2 HB3 ASP 2 2.315 3.799 -4.258 10 HD2 ASP 2 HD2 ASP 2 4.588 0.731 -3.852 11 H ASP 3 HN ASP 3 0.266 1.494 -1.837 12 HA ASP 3 HA ASP 3 -2.025 3.279 -2.098 13 HB2 ASP 3 HB2 ASP 3 -2.210 1.986 -4.044 14 HB3 ASP 3 HB3 ASP 3 -1.434 0.591 -3.318 15 HD2 ASP 3 HD2 ASP 3 -4.065 -1.041 -2.580 16 H ILE 4 HN ILE 4 -3.623 3.009 -0.462 17 HA ILE 4 HA ILE 4 -3.190 0.766 1.382 18 HB ILE 4 HB ILE 4 -3.814 3.642 2.056 19 HG12 ILE 4 HG1 ILE 4 -1.359 1.933 2.247 20 HG23 ILE 4 HG2 ILE 4 -3.913 2.978 4.369 21 HD11 ILE 4 HD1 ILE 4 -1.579 2.512 4.558 22 H VAL 5 HN VAL 5 -4.873 -0.605 1.192 23 HA VAL 5 HA VAL 5 -7.428 0.490 0.330 24 HB VAL 5 HB VAL 5 -6.475 -2.359 0.685 25 HG13 VAL 5 HG1 VAL 5 -8.940 -1.310 -0.744 26 HG21 VAL 5 HG2 VAL 5 -6.909 -1.786 -2.038 27 H LEU 6 HN LEU 6 -9.116 0.821 1.698 28 HA LEU 6 HA LEU 6 -8.747 -0.143 4.441 29 HB2 LEU 6 HB2 LEU 6 -10.561 2.064 3.473 30 HB3 LEU 6 HB3 LEU 6 -10.159 1.661 5.130 31 HG LEU 6 HG LEU 6 -8.009 2.506 3.196 32 HD13 LEU 6 HD1 LEU 6 -9.537 4.289 2.955 33 HD21 LEU 6 HD2 LEU 6 -8.262 2.089 6.117 34 H LYS 7 HN LYS 7 -9.652 -2.158 4.560 35 HA LYS 7 HA LYS 7 -11.818 -2.982 3.010 36 HB2 LYS 7 HB2 LYS 7 -10.399 -4.005 5.441 37 HB3 LYS 7 HB3 LYS 7 -11.936 -4.727 5.007 38 HG2 LYS 7 HG2 LYS 7 -10.475 -4.486 2.566 39 HG3 LYS 7 HG3 LYS 7 -9.327 -5.079 3.751 40 HD2 LYS 7 HD2 LYS 7 -10.433 -7.094 4.029 41 HD3 LYS 7 HD3 LYS 7 -12.020 -6.379 3.822 42 HE2 LYS 7 HE2 LYS 7 -12.023 -6.711 1.544 43 HE3 LYS 7 HE3 LYS 7 -10.331 -6.290 1.373 44 HZ1 LYS 7 HZ1 LYS 7 -11.346 -8.833 1.332 45 HZ2 LYS 7 HZ2 LYS 7 -9.769 -8.456 1.476 46 H ALA 8 HN ALA 8 -13.955 -2.541 3.109 47 HA ALA 8 HA ALA 8 -15.025 -1.687 5.697 48 HB1 ALA 8 HB1 ALA 8 -15.183 0.417 4.903 49 HB2 ALA 8 HB2 ALA 8 -14.712 -0.092 3.264 50 HB3 ALA 8 HB3 ALA 8 -16.414 -0.200 3.775 51 H LYS 9 HN LYS 9 -16.898 -2.734 6.220 52 HA LYS 9 HA LYS 9 -17.771 -4.869 4.676 53 HB2 LYS 9 HB2 LYS 9 -18.663 -3.455 7.129 54 HB3 LYS 9 HB3 LYS 9 -19.890 -4.389 6.299 55 HG2 LYS 9 HG2 LYS 9 -19.029 -6.282 7.197 56 HG3 LYS 9 HG3 LYS 9 -17.553 -6.021 6.291 57 HD2 LYS 9 HD2 LYS 9 -16.452 -5.641 8.233 58 HD3 LYS 9 HD3 LYS 9 -17.429 -4.209 8.488 59 HE2 LYS 9 HE2 LYS 9 -18.772 -6.798 9.150 60 HE3 LYS 9 HE3 LYS 9 -17.415 -6.380 10.176 61 HZ1 LYS 9 HZ1 LYS 9 -19.944 -4.929 9.830 62 HZ2 LYS 9 HZ2 LYS 9 -19.136 -5.257 11.206 63 H ASN 10 HN ASN 10 -18.477 -1.431 4.515 64 HA ASN 10 HA ASN 10 -20.667 -2.039 2.696 65 HB2 ASN 10 HB2 ASN 10 -19.939 0.531 4.196 66 HB3 ASN 10 HB3 ASN 10 -21.232 0.439 3.016 67 HD21 ASN 10 HD2 ASN 10 -23.257 -0.055 5.858 68 H GLY 11 HN GLY 11 -18.435 -2.584 1.389 69 HA2 GLY 11 HA1 GLY 11 -17.432 -2.021 -0.578 70 HA3 GLY 11 HA2 GLY 11 -18.064 -0.391 -0.453 71 H ASP 12 HN ASP 12 -15.244 -1.691 -0.908 72 HA ASP 12 HA ASP 12 -13.775 -0.817 1.346 73 HB2 ASP 12 HB2 ASP 12 -13.227 -2.622 -0.528 74 HB3 ASP 12 HB3 ASP 12 -12.584 -1.248 -1.407 75 HD2 ASP 12 HD2 ASP 12 -10.693 -0.321 -0.579 76 H VAL 13 HN VAL 13 -11.725 0.734 0.720 77 HA VAL 13 HA VAL 13 -12.677 2.890 -1.017 78 HB VAL 13 HB VAL 13 -11.795 3.070 1.858 79 HG13 VAL 13 HG1 VAL 13 -11.601 5.129 -0.320 80 HG21 VAL 13 HG2 VAL 13 -13.919 4.788 1.441 81 H LYS 14 HN LYS 14 -11.046 3.934 -2.187 82 HA LYS 14 HA LYS 14 -8.437 2.624 -1.967 83 HB2 LYS 14 HB2 LYS 14 -10.097 3.595 -4.205 84 HB3 LYS 14 HB3 LYS 14 -8.402 4.018 -4.330 85 HG2 LYS 14 HG2 LYS 14 -9.572 1.222 -3.978 86 HG3 LYS 14 HG3 LYS 14 -8.729 1.841 -5.383 87 HD2 LYS 14 HD2 LYS 14 -6.874 2.291 -3.357 88 HD3 LYS 14 HD3 LYS 14 -7.628 0.800 -2.830 89 HE2 LYS 14 HE2 LYS 14 -5.812 0.120 -4.237 90 HE3 LYS 14 HE3 LYS 14 -7.251 -0.103 -5.211 91 HZ1 LYS 14 HZ1 LYS 14 -5.641 2.383 -5.342 92 HZ2 LYS 14 HZ2 LYS 14 -5.367 1.116 -6.329 93 H PHE 15 HN PHE 15 -6.668 3.741 -1.292 94 HA PHE 15 HA PHE 15 -6.769 6.644 -1.416 95 HB2 PHE 15 HB2 PHE 15 -7.651 5.694 0.843 96 HB3 PHE 15 HB3 PHE 15 -6.060 5.003 1.086 97 HD1 PHE 15 HD2 PHE 15 -7.324 8.350 -0.015 98 HD2 PHE 15 HD1 PHE 15 -4.836 6.166 2.642 99 HE1 PHE 15 HE2 PHE 15 -6.550 10.498 1.028 100 HE2 PHE 15 HE1 PHE 15 -4.063 8.314 3.684 101 HZ PHE 15 HZ PHE 15 -4.929 10.454 2.865 102 HA PRO 16 HA PRO 16 -2.617 5.475 -2.598 103 HB2 PRO 16 HB2 PRO 16 -2.142 7.701 -4.114 104 HB3 PRO 16 HB3 PRO 16 -3.231 6.385 -4.662 105 HG2 PRO 16 HG2 PRO 16 -4.232 9.195 -3.615 106 HG3 PRO 16 HG3 PRO 16 -4.454 7.865 -4.797 107 HD2 PRO 16 HD2 PRO 16 -5.588 8.201 -2.079 108 HD3 PRO 16 HD3 PRO 16 -6.000 6.979 -3.321 109 H HIS 17 HN HIS 17 -1.907 5.669 -0.390 110 HA HIS 17 HA HIS 17 -1.575 7.983 1.123 111 HB2 HIS 17 HB2 HIS 17 -1.209 5.569 1.780 112 HB3 HIS 17 HB3 HIS 17 0.406 5.649 0.951 113 HD1 HIS 17 HD1 HIS 17 2.272 6.659 2.199 114 HD2 HIS 17 HD2 HIS 17 -1.366 7.133 4.201 115 HE1 HIS 17 HE1 HIS 17 2.855 7.531 4.554 116 H LYS 18 HN LYS 18 0.869 6.576 -1.216 117 HA LYS 18 HA LYS 18 2.811 8.445 -0.965 118 HB2 LYS 18 HB2 LYS 18 2.926 6.405 -2.354 119 HB3 LYS 18 HB3 LYS 18 1.861 7.142 -3.534 120 HG2 LYS 18 HG2 LYS 18 3.572 9.072 -3.681 121 HG3 LYS 18 HG3 LYS 18 4.657 8.065 -2.744 122 HD2 LYS 18 HD2 LYS 18 5.147 6.732 -4.531 123 HD3 LYS 18 HD3 LYS 18 3.463 6.583 -4.992 124 HE2 LYS 18 HE2 LYS 18 4.346 9.304 -5.511 125 HE3 LYS 18 HE3 LYS 18 5.487 8.187 -6.236 126 HZ1 LYS 18 HZ1 LYS 18 3.512 8.763 -7.658 127 HZ2 LYS 18 HZ2 LYS 18 3.726 7.161 -7.463 128 H ALA 19 HN ALA 19 -0.352 8.755 -2.600 129 HA ALA 19 HA ALA 19 0.275 11.221 -3.852 130 HB1 ALA 19 HB1 ALA 19 -2.473 10.160 -3.114 131 HB2 ALA 19 HB2 ALA 19 -2.031 11.224 -4.471 132 HB3 ALA 19 HB3 ALA 19 -1.529 9.516 -4.479 133 H HIS 20 HN HIS 20 -1.408 10.230 -0.889 134 HA HIS 20 HA HIS 20 -1.752 13.028 -0.013 135 HB2 HIS 20 HB2 HIS 20 -2.657 10.280 0.894 136 HB3 HIS 20 HB3 HIS 20 -2.661 11.652 2.083 137 HD1 HIS 20 HD1 HIS 20 -3.811 11.373 -1.529 138 HD2 HIS 20 HD2 HIS 20 -5.209 12.568 2.225 139 HE1 HIS 20 HE1 HIS 20 -6.212 12.238 -1.897 140 H GLN 21 HN GLN 21 1.003 11.778 -0.418 141 HA GLN 21 HA GLN 21 1.909 12.141 2.333 142 HB2 GLN 21 HB2 GLN 21 2.262 9.849 1.120 143 HB3 GLN 21 HB3 GLN 21 3.500 10.681 0.200 144 HG2 GLN 21 HG2 GLN 21 4.778 11.194 2.185 145 HG3 GLN 21 HG3 GLN 21 3.452 10.758 3.244 146 HE21 GLN 21 HE2 GLN 21 6.187 8.047 2.088 147 H LYS 22 HN LYS 22 1.417 13.925 -0.268 148 HA LYS 22 HA LYS 22 3.674 15.610 0.256 149 HB2 LYS 22 HB2 LYS 22 4.601 13.989 -1.391 150 HB3 LYS 22 HB3 LYS 22 3.356 14.457 -2.531 151 HG2 LYS 22 HG2 LYS 22 4.625 16.211 -3.193 152 HG3 LYS 22 HG3 LYS 22 4.524 16.891 -1.581 153 HD2 LYS 22 HD2 LYS 22 6.419 14.928 -1.181 154 HD3 LYS 22 HD3 LYS 22 6.741 15.346 -2.852 155 HE2 LYS 22 HE2 LYS 22 6.841 17.792 -2.163 156 HE3 LYS 22 HE3 LYS 22 6.667 17.287 -0.493 157 HZ1 LYS 22 HZ1 LYS 22 8.825 16.685 -0.435 158 HZ2 LYS 22 HZ2 LYS 22 8.751 15.840 -1.825 159 H ALA 23 HN ALA 23 0.659 15.473 0.457 160 HA ALA 23 HA ALA 23 0.167 17.932 -1.064 161 HB1 ALA 23 HB1 ALA 23 -1.046 16.425 -2.366 162 HB2 ALA 23 HB2 ALA 23 -1.433 15.378 -0.979 163 HB3 ALA 23 HB3 ALA 23 -2.270 16.935 -1.178 164 H VAL 24 HN VAL 24 1.012 17.171 1.783 165 HA VAL 24 HA VAL 24 -1.002 18.817 3.065 166 HB VAL 24 HB VAL 24 -0.335 15.990 3.870 167 HG13 VAL 24 HG1 VAL 24 -1.754 18.046 5.594 168 HG21 VAL 24 HG2 VAL 24 -2.893 15.954 4.098 169 HA PRO 25 HA PRO 25 3.102 20.608 3.710 170 HB2 PRO 25 HB2 PRO 25 1.165 22.178 5.468 171 HB3 PRO 25 HB3 PRO 25 2.542 22.742 4.468 172 HG2 PRO 25 HG2 PRO 25 0.079 22.831 3.638 173 HG3 PRO 25 HG3 PRO 25 1.234 22.553 2.295 174 HD2 PRO 25 HD2 PRO 25 -0.776 20.728 3.471 175 HD3 PRO 25 HD3 PRO 25 0.229 20.489 2.010 176 H ASP 26 HN ASP 26 0.672 20.196 6.429 177 HA ASP 26 HA ASP 26 2.936 19.302 8.020 178 HB2 ASP 26 HB2 ASP 26 1.289 21.248 8.703 179 HB3 ASP 26 HB3 ASP 26 0.171 19.956 9.091 180 HD2 ASP 26 HD2 ASP 26 1.208 21.723 10.984 181 H CYS 27 HN CYS 27 2.604 17.185 6.682 182 HA CYS 27 HA CYS 27 0.397 15.663 6.622 183 HB2 CYS 27 HB2 CYS 27 1.823 14.279 5.669 184 HB3 CYS 27 HB3 CYS 27 3.156 15.275 6.220 185 H LYS 28 HN LYS 28 2.420 16.514 9.403 186 HA LYS 28 HA LYS 28 1.844 14.499 11.163 187 HB2 LYS 28 HB2 LYS 28 3.034 15.797 12.523 188 HB3 LYS 28 HB3 LYS 28 3.101 16.982 11.235 189 HG2 LYS 28 HG2 LYS 28 0.976 18.008 12.062 190 HG3 LYS 28 HG3 LYS 28 0.896 16.818 13.345 191 HD2 LYS 28 HD2 LYS 28 3.504 17.898 13.549 192 HD3 LYS 28 HD3 LYS 28 2.487 19.280 13.197 193 HE2 LYS 28 HE2 LYS 28 1.315 19.115 15.196 194 HE3 LYS 28 HE3 LYS 28 1.420 17.367 15.242 195 HZ1 LYS 28 HZ1 LYS 28 3.673 17.507 15.999 196 HZ2 LYS 28 HZ2 LYS 28 3.778 19.107 15.710 197 H LYS 29 HN LYS 29 -0.291 16.888 9.749 198 HA LYS 29 HA LYS 29 -2.218 17.319 11.546 199 HB2 LYS 29 HB2 LYS 29 -2.096 17.964 9.076 200 HB3 LYS 29 HB3 LYS 29 -2.851 16.422 8.727 201 HG2 LYS 29 HG2 LYS 29 -4.803 17.599 8.990 202 HG3 LYS 29 HG3 LYS 29 -4.531 17.300 10.695 203 HD2 LYS 29 HD2 LYS 29 -4.838 19.620 10.697 204 HD3 LYS 29 HD3 LYS 29 -3.092 19.517 10.598 205 HE2 LYS 29 HE2 LYS 29 -3.308 19.656 8.054 206 HE3 LYS 29 HE3 LYS 29 -5.020 19.961 8.273 207 HZ1 LYS 29 HZ1 LYS 29 -4.414 21.920 9.632 208 HZ2 LYS 29 HZ2 LYS 29 -2.831 21.649 9.361 209 H CYS 30 HN CYS 30 -1.973 14.305 9.530 210 HA CYS 30 HA CYS 30 -4.053 13.081 11.054 211 HB2 CYS 30 HB2 CYS 30 -2.219 11.548 9.227 212 HB3 CYS 30 HB3 CYS 30 -3.926 11.306 9.549 213 H HIS 31 HN HIS 31 -0.559 12.574 10.520 214 HA HIS 31 HA HIS 31 -0.349 10.792 12.865 215 HB2 HIS 31 HB2 HIS 31 1.780 11.819 10.909 216 HB3 HIS 31 HB3 HIS 31 1.968 10.482 12.122 217 HD1 HIS 31 HD1 HIS 31 -0.421 8.804 11.578 218 HD2 HIS 31 HD2 HIS 31 1.822 10.539 8.508 219 HE1 HIS 31 HE1 HIS 31 -0.842 7.367 9.480 220 H GLU 32 HN GLU 32 -1.295 13.065 13.908 221 HA GLU 32 HA GLU 32 0.440 15.102 14.430 222 HB2 GLU 32 HB2 GLU 32 -1.984 13.960 15.765 223 HB3 GLU 32 HB3 GLU 32 -1.009 15.044 16.737 224 HG2 GLU 32 HG2 GLU 32 -1.187 16.819 15.047 225 HG3 GLU 32 HG3 GLU 32 -1.989 15.735 13.929 226 HE2 GLU 32 HE2 GLU 32 -4.624 17.407 14.926 227 H LYS 33 HN LYS 33 -0.138 12.079 16.358 228 HA LYS 33 HA LYS 33 1.942 12.724 18.198 229 HB2 LYS 33 HB2 LYS 33 -0.001 10.506 17.780 230 HB3 LYS 33 HB3 LYS 33 1.466 10.115 18.656 231 HG2 LYS 33 HG2 LYS 33 -0.220 12.551 19.361 232 HG3 LYS 33 HG3 LYS 33 -0.553 10.972 20.043 233 HD2 LYS 33 HD2 LYS 33 2.163 12.356 20.228 234 HD3 LYS 33 HD3 LYS 33 0.939 12.444 21.480 235 HE2 LYS 33 HE2 LYS 33 1.857 10.544 22.335 236 HE3 LYS 33 HE3 LYS 33 1.111 9.695 20.995 237 HZ1 LYS 33 HZ1 LYS 33 3.483 9.254 21.042 238 HZ2 LYS 33 HZ2 LYS 33 3.159 10.115 19.698 239 H GLY 34 HN GLY 34 1.584 9.970 15.847 240 HA2 GLY 34 HA1 GLY 34 4.180 10.404 14.742 241 HA3 GLY 34 HA2 GLY 34 4.191 9.099 15.912 242 HA PRO 35 HA PRO 35 2.624 7.471 11.832 243 HB2 PRO 35 HB2 PRO 35 5.187 6.125 11.423 244 HB3 PRO 35 HB3 PRO 35 4.436 7.447 10.471 245 HG2 PRO 35 HG2 PRO 35 6.886 8.305 12.126 246 HG3 PRO 35 HG3 PRO 35 5.322 8.882 11.463 247 HD2 PRO 35 HD2 PRO 35 5.717 7.445 14.166 248 HD3 PRO 35 HD3 PRO 35 5.499 9.211 13.975 249 H GLY 36 HN GLY 36 2.429 5.036 11.251 250 HA2 GLY 36 HA1 GLY 36 2.866 2.790 12.034 251 HA3 GLY 36 HA2 GLY 36 2.822 3.393 13.679 252 H LYS 37 HN LYS 37 1.183 1.259 13.021 253 HA LYS 37 HA LYS 37 -1.261 1.648 11.973 254 HB2 LYS 37 HB2 LYS 37 -2.057 -0.044 13.652 255 HB3 LYS 37 HB3 LYS 37 -0.627 -0.502 12.750 256 HG2 LYS 37 HG2 LYS 37 -0.210 0.943 15.360 257 HG3 LYS 37 HG3 LYS 37 -0.761 -0.719 15.440 258 HD2 LYS 37 HD2 LYS 37 1.284 -0.792 13.504 259 HD3 LYS 37 HD3 LYS 37 1.890 0.334 14.703 260 HE2 LYS 37 HE2 LYS 37 2.234 -1.318 16.241 261 HE3 LYS 37 HE3 LYS 37 0.651 -2.019 15.966 262 HZ1 LYS 37 HZ1 LYS 37 1.480 -3.417 14.353 263 HZ2 LYS 37 HZ2 LYS 37 2.665 -2.406 13.873 264 H ILE 38 HN ILE 38 -2.374 3.552 12.129 265 HA ILE 38 HA ILE 38 -2.404 5.255 14.265 266 HB ILE 38 HB ILE 38 -4.476 4.683 12.152 267 HG12 ILE 38 HG1 ILE 38 -2.297 6.770 12.424 268 HG23 ILE 38 HG2 ILE 38 -4.593 6.486 14.487 269 HD11 ILE 38 HD1 ILE 38 -3.884 8.040 11.311 270 H GLU 39 HN GLU 39 -3.402 5.374 16.239 271 HA GLU 39 HA GLU 39 -4.128 3.232 17.593 272 HB2 GLU 39 HB2 GLU 39 -5.089 6.094 17.780 273 HB3 GLU 39 HB3 GLU 39 -5.720 4.898 18.894 274 HG2 GLU 39 HG2 GLU 39 -3.336 4.284 19.506 275 HG3 GLU 39 HG3 GLU 39 -2.773 5.586 18.477 276 HE2 GLU 39 HE2 GLU 39 -3.436 7.690 19.090 277 H GLY 40 HN GLY 40 -5.351 1.625 16.557 278 HA2 GLY 40 HA1 GLY 40 -7.125 0.784 15.348 279 HA3 GLY 40 HA2 GLY 40 -7.905 1.223 16.853 280 H PHE 41 HN PHE 41 -7.347 2.143 13.462 281 HA PHE 41 HA PHE 41 -8.516 4.621 13.405 282 HB2 PHE 41 HB2 PHE 41 -7.365 3.478 11.505 283 HB3 PHE 41 HB3 PHE 41 -8.587 2.223 11.481 284 HD1 PHE 41 HD1 PHE 41 -11.060 3.115 11.098 285 HD2 PHE 41 HD2 PHE 41 -7.536 5.197 9.976 286 HE1 PHE 41 HE1 PHE 41 -12.373 4.427 9.408 287 HE2 PHE 41 HE2 PHE 41 -8.850 6.509 8.286 288 HZ PHE 41 HZ PHE 41 -11.252 6.108 8.022 289 H GLY 42 HN GLY 42 -10.657 5.387 12.887 290 HA2 GLY 42 HA1 GLY 42 -12.793 3.419 13.453 291 HA3 GLY 42 HA2 GLY 42 -12.764 5.018 14.168 292 H LYS 43 HN LYS 43 -14.807 3.800 12.366 293 HA LYS 43 HA LYS 43 -14.487 4.968 9.799 294 HB2 LYS 43 HB2 LYS 43 -17.150 4.176 10.937 295 HB3 LYS 43 HB3 LYS 43 -16.546 4.019 9.300 296 HG2 LYS 43 HG2 LYS 43 -15.743 2.370 11.734 297 HG3 LYS 43 HG3 LYS 43 -16.553 1.803 10.287 298 HD2 LYS 43 HD2 LYS 43 -14.568 1.436 9.257 299 HD3 LYS 43 HD3 LYS 43 -14.091 3.104 9.496 300 HE2 LYS 43 HE2 LYS 43 -12.527 1.419 10.568 301 HE3 LYS 43 HE3 LYS 43 -13.147 2.623 11.679 302 HZ1 LYS 43 HZ1 LYS 43 -13.382 -0.106 11.959 303 HZ2 LYS 43 HZ2 LYS 43 -14.148 1.010 12.863 304 H GLU 44 HN GLU 44 -16.597 5.764 12.652 305 HA GLU 44 HA GLU 44 -17.819 7.931 11.764 306 HB2 GLU 44 HB2 GLU 44 -18.106 8.594 14.020 307 HB3 GLU 44 HB3 GLU 44 -17.820 6.868 14.121 308 HG2 GLU 44 HG2 GLU 44 -15.594 8.934 14.410 309 HG3 GLU 44 HG3 GLU 44 -16.497 8.313 15.777 310 HE2 GLU 44 HE2 GLU 44 -13.396 7.248 14.819 311 H MET 45 HN MET 45 -14.367 7.723 12.724 312 HA MET 45 HA MET 45 -13.893 10.467 12.663 313 HB2 MET 45 HB2 MET 45 -12.454 8.025 13.118 314 HB3 MET 45 HB3 MET 45 -11.578 8.856 11.848 315 HG2 MET 45 HG2 MET 45 -10.580 9.881 13.673 316 HG3 MET 45 HG3 MET 45 -11.934 10.976 13.477 317 HE1 MET 45 HE1 MET 45 -11.112 10.043 17.364 318 HE2 MET 45 HE2 MET 45 -10.059 10.231 15.941 319 HE3 MET 45 HE3 MET 45 -11.287 11.467 16.309 320 H ALA 46 HN ALA 46 -13.605 7.871 10.166 321 HA ALA 46 HA ALA 46 -12.322 9.210 8.184 322 HB1 ALA 46 HB1 ALA 46 -12.986 7.443 6.907 323 HB2 ALA 46 HB2 ALA 46 -13.596 6.809 8.456 324 HB3 ALA 46 HB3 ALA 46 -14.701 7.644 7.337 325 H HIS 47 HN HIS 47 -15.868 9.020 8.550 326 HA HIS 47 HA HIS 47 -16.436 11.088 6.643 327 HB2 HIS 47 HB2 HIS 47 -18.197 10.119 8.957 328 HB3 HIS 47 HB3 HIS 47 -18.720 10.878 7.393 329 HD1 HIS 47 HD1 HIS 47 -19.178 7.915 8.833 330 HD2 HIS 47 HD2 HIS 47 -17.217 8.871 5.268 331 HE1 HIS 47 HE1 HIS 47 -19.223 5.777 7.393 332 H GLY 48 HN GLY 48 -15.082 11.239 9.808 333 HA2 GLY 48 HA1 GLY 48 -16.241 13.767 10.571 334 HA3 GLY 48 HA2 GLY 48 -14.939 12.897 11.360 335 H LYS 49 HN LYS 49 -13.230 14.306 11.493 336 HA LYS 49 HA LYS 49 -12.571 15.794 9.050 337 HB2 LYS 49 HB2 LYS 49 -13.186 17.070 11.162 338 HB3 LYS 49 HB3 LYS 49 -11.709 16.456 11.874 339 HG2 LYS 49 HG2 LYS 49 -10.383 17.461 10.009 340 HG3 LYS 49 HG3 LYS 49 -11.858 18.061 9.279 341 HD2 LYS 49 HD2 LYS 49 -11.444 18.795 12.152 342 HD3 LYS 49 HD3 LYS 49 -10.324 19.520 11.016 343 HE2 LYS 49 HE2 LYS 49 -12.547 20.039 9.624 344 HE3 LYS 49 HE3 LYS 49 -13.328 19.839 11.180 345 HZ1 LYS 49 HZ1 LYS 49 -11.040 21.681 10.739 346 HZ2 LYS 49 HZ2 LYS 49 -12.597 22.159 10.718 347 H GLY 50 HN GLY 50 -11.874 13.209 8.834 348 HA2 GLY 50 HA1 GLY 50 -8.970 13.344 9.011 349 HA3 GLY 50 HA2 GLY 50 -9.740 12.060 9.923 350 H CYS 51 HN CYS 51 -11.162 13.323 6.905 351 HA CYS 51 HA CYS 51 -9.927 11.599 5.126 352 HB2 CYS 51 HB2 CYS 51 -11.305 10.014 6.751 353 HB3 CYS 51 HB3 CYS 51 -12.633 10.476 5.705 354 H LYS 52 HN LYS 52 -13.430 12.316 5.827 355 HA LYS 52 HA LYS 52 -13.644 13.563 3.226 356 HB2 LYS 52 HB2 LYS 52 -15.357 11.974 3.975 357 HB3 LYS 52 HB3 LYS 52 -15.718 12.982 5.363 358 HG2 LYS 52 HG2 LYS 52 -15.851 14.733 3.131 359 HG3 LYS 52 HG3 LYS 52 -16.629 13.257 2.594 360 HD2 LYS 52 HD2 LYS 52 -17.695 13.525 5.134 361 HD3 LYS 52 HD3 LYS 52 -17.492 15.204 4.677 362 HE2 LYS 52 HE2 LYS 52 -18.622 13.576 2.485 363 HE3 LYS 52 HE3 LYS 52 -19.621 13.538 3.925 364 HZ1 LYS 52 HZ1 LYS 52 -20.340 15.563 3.316 365 HZ2 LYS 52 HZ2 LYS 52 -18.863 16.183 3.611 366 H GLY 53 HN GLY 53 -14.351 14.459 6.679 367 HA2 GLY 53 HA1 GLY 53 -15.057 16.996 6.588 368 HA3 GLY 53 HA2 GLY 53 -13.844 16.433 7.720 369 H CYS 54 HN CYS 54 -11.559 16.008 6.328 370 HA CYS 54 HA CYS 54 -10.411 18.398 6.031 371 HB2 CYS 54 HB2 CYS 54 -9.678 15.736 5.511 372 HB3 CYS 54 HB3 CYS 54 -9.333 16.592 4.021 373 H HIS 55 HN HIS 55 -11.413 16.387 3.252 374 HA HIS 55 HA HIS 55 -11.191 18.243 1.196 375 HB2 HIS 55 HB2 HIS 55 -13.435 16.171 1.432 376 HB3 HIS 55 HB3 HIS 55 -12.656 16.822 -0.073 377 HD1 HIS 55 HD1 HIS 55 -12.854 13.845 1.519 378 HD2 HIS 55 HD2 HIS 55 -9.538 16.142 0.420 379 HE1 HIS 55 HE1 HIS 55 -10.865 12.212 1.369 380 H GLU 56 HN GLU 56 -14.062 17.725 3.385 381 HA GLU 56 HA GLU 56 -15.706 19.542 2.162 382 HB2 GLU 56 HB2 GLU 56 -16.642 18.089 3.803 383 HB3 GLU 56 HB3 GLU 56 -15.475 18.561 5.023 384 HG2 GLU 56 HG2 GLU 56 -16.755 20.316 5.699 385 HG3 GLU 56 HG3 GLU 56 -16.944 20.902 4.059 386 HE2 GLU 56 HE2 GLU 56 -18.227 18.516 6.251 387 H GLU 57 HN GLU 57 -12.960 20.013 4.376 388 HA GLU 57 HA GLU 57 -13.639 22.793 4.694 389 HB2 GLU 57 HB2 GLU 57 -12.747 21.419 6.604 390 HB3 GLU 57 HB3 GLU 57 -11.235 21.234 5.740 391 HG2 GLU 57 HG2 GLU 57 -11.685 24.006 5.662 392 HG3 GLU 57 HG3 GLU 57 -12.251 23.551 7.258 393 HE2 GLU 57 HE2 GLU 57 -9.046 23.243 8.437 394 H MET 58 HN MET 58 -10.924 20.769 3.381 395 HA MET 58 HA MET 58 -9.537 22.961 2.354 396 HB2 MET 58 HB2 MET 58 -9.083 20.238 2.706 397 HB3 MET 58 HB3 MET 58 -9.267 20.319 0.965 398 HG2 MET 58 HG2 MET 58 -7.204 21.247 0.723 399 HG3 MET 58 HG3 MET 58 -7.591 22.530 1.853 400 HE1 MET 58 HE1 MET 58 -6.295 23.012 3.399 401 HE2 MET 58 HE2 MET 58 -6.913 22.122 4.811 402 HE3 MET 58 HE3 MET 58 -5.188 22.023 4.381 403 H LYS 59 HN LYS 59 -12.504 21.597 1.409 404 HA LYS 59 HA LYS 59 -13.770 21.728 -0.396 405 HB2 LYS 59 HB2 LYS 59 -12.064 24.195 -0.768 406 HB3 LYS 59 HB3 LYS 59 -13.384 23.806 -1.853 407 HG2 LYS 59 HG2 LYS 59 -15.023 24.145 -0.221 408 HG3 LYS 59 HG3 LYS 59 -13.960 23.704 1.100 409 HD2 LYS 59 HD2 LYS 59 -12.673 25.950 0.177 410 HD3 LYS 59 HD3 LYS 59 -14.327 26.352 -0.239 411 HE2 LYS 59 HE2 LYS 59 -13.620 25.320 2.534 412 HE3 LYS 59 HE3 LYS 59 -13.455 27.017 2.136 413 HZ1 LYS 59 HZ1 LYS 59 -16.001 25.727 1.469 414 HZ2 LYS 59 HZ2 LYS 59 -15.720 26.051 3.041 415 H LYS 60 HN LYS 60 -11.086 20.228 -0.430 416 HA LYS 60 HA LYS 60 -11.054 19.879 -3.339 417 HB2 LYS 60 HB2 LYS 60 -8.878 20.798 -1.651 418 HB3 LYS 60 HB3 LYS 60 -8.461 19.288 -2.434 419 HG2 LYS 60 HG2 LYS 60 -7.823 20.907 -4.036 420 HG3 LYS 60 HG3 LYS 60 -9.386 20.371 -4.621 421 HD2 LYS 60 HD2 LYS 60 -10.277 22.371 -3.060 422 HD3 LYS 60 HD3 LYS 60 -8.648 22.978 -3.287 423 HE2 LYS 60 HE2 LYS 60 -10.141 22.030 -5.731 424 HE3 LYS 60 HE3 LYS 60 -10.633 23.553 -5.018 425 HZ1 LYS 60 HZ1 LYS 60 -8.917 24.011 -6.598 426 HZ2 LYS 60 HZ2 LYS 60 -8.225 24.219 -5.140 427 H GLY 61 HN GLY 61 -10.957 17.739 -4.041 428 HA2 GLY 61 HA1 GLY 61 -10.416 15.456 -3.634 429 HA3 GLY 61 HA2 GLY 61 -10.764 15.685 -1.932 430 HA PRO 62 HA PRO 62 -14.589 14.152 -4.182 431 HB2 PRO 62 HB2 PRO 62 -14.133 11.438 -3.263 432 HB3 PRO 62 HB3 PRO 62 -14.043 12.084 -4.933 433 HG2 PRO 62 HG2 PRO 62 -12.122 11.170 -3.405 434 HG3 PRO 62 HG3 PRO 62 -11.410 12.000 -4.828 435 HD2 PRO 62 HD2 PRO 62 -11.617 12.901 -2.017 436 HD3 PRO 62 HD3 PRO 62 -10.735 13.666 -3.373 437 H THR 63 HN THR 63 -16.593 13.908 -3.054 438 HA THR 63 HA THR 63 -16.301 13.506 -0.148 439 HB THR 63 HB THR 63 -18.345 15.144 -0.119 440 HG1 THR 63 HG1 THR 63 -17.054 15.758 -2.675 441 HG21 THR 63 HG2 THR 63 -15.534 15.997 -0.955 442 H LYS 64 HN LYS 64 -18.215 12.998 -3.124 443 HA LYS 64 HA LYS 64 -20.403 11.761 -1.997 444 HB2 LYS 64 HB2 LYS 64 -20.508 12.340 -4.272 445 HB3 LYS 64 HB3 LYS 64 -19.016 11.508 -4.661 446 HG2 LYS 64 HG2 LYS 64 -20.658 10.013 -5.460 447 HG3 LYS 64 HG3 LYS 64 -20.251 9.332 -3.897 448 HD2 LYS 64 HD2 LYS 64 -22.232 11.006 -3.096 449 HD3 LYS 64 HD3 LYS 64 -22.751 10.768 -4.754 450 HE2 LYS 64 HE2 LYS 64 -22.289 8.185 -4.176 451 HE3 LYS 64 HE3 LYS 64 -22.517 8.739 -2.529 452 HZ1 LYS 64 HZ1 LYS 64 -24.516 8.180 -4.348 453 HZ2 LYS 64 HZ2 LYS 64 -24.719 8.883 -2.893 454 H CYS 65 HN CYS 65 -20.963 9.517 -1.668 455 HA CYS 65 HA CYS 65 -18.982 8.122 -0.294 456 HB2 CYS 65 HB2 CYS 65 -21.328 6.630 -1.346 457 HB3 CYS 65 HB3 CYS 65 -20.608 6.623 0.252 458 H GLY 66 HN GLY 66 -20.666 7.389 -3.446 459 HA2 GLY 66 HA1 GLY 66 -19.248 5.203 -4.249 460 HA3 GLY 66 HA2 GLY 66 -19.909 6.414 -5.329 461 H GLU 67 HN GLU 67 -18.150 8.572 -4.017 462 HA GLU 67 HA GLU 67 -15.990 8.222 -5.802 463 HB2 GLU 67 HB2 GLU 67 -16.852 10.344 -3.834 464 HB3 GLU 67 HB3 GLU 67 -15.224 10.406 -4.478 465 HG2 GLU 67 HG2 GLU 67 -17.425 9.959 -6.469 466 HG3 GLU 67 HG3 GLU 67 -17.360 11.545 -5.726 467 HE2 GLU 67 HE2 GLU 67 -15.847 9.716 -8.204 468 H CYS 68 HN CYS 68 -16.612 7.445 -2.447 469 HA CYS 68 HA CYS 68 -13.744 7.072 -2.008 470 HB2 CYS 68 HB2 CYS 68 -15.979 7.871 -0.249 471 HB3 CYS 68 HB3 CYS 68 -14.914 6.664 0.444 472 H HIS 69 HN HIS 69 -16.974 5.659 -1.464 473 HA HIS 69 HA HIS 69 -15.833 2.945 -1.140 474 HB2 HIS 69 HB2 HIS 69 -18.686 4.060 -0.940 475 HB3 HIS 69 HB3 HIS 69 -18.210 2.336 -0.626 476 HD1 HIS 69 HD1 HIS 69 -16.324 2.157 1.342 477 HD2 HIS 69 HD2 HIS 69 -18.762 5.551 1.331 478 HE1 HIS 69 HE1 HIS 69 -16.210 3.131 3.725 479 H LYS 70 HN LYS 70 -16.570 1.112 -2.459 480 HA LYS 70 HA LYS 70 -17.503 1.948 -5.112 481 HB2 LYS 70 HB2 LYS 70 -15.156 1.635 -5.365 482 HB3 LYS 70 HB3 LYS 70 -15.167 0.160 -4.418 483 HG2 LYS 70 HG2 LYS 70 -15.477 -1.018 -6.329 484 HG3 LYS 70 HG3 LYS 70 -17.058 -0.282 -6.493 485 HD2 LYS 70 HD2 LYS 70 -14.974 1.593 -7.331 486 HD3 LYS 70 HD3 LYS 70 -14.812 0.078 -8.197 487 HE2 LYS 70 HE2 LYS 70 -17.621 1.021 -7.971 488 HE3 LYS 70 HE3 LYS 70 -16.583 2.119 -8.858 489 HZ1 LYS 70 HZ1 LYS 70 -17.327 0.585 -10.455 490 HZ2 LYS 70 HZ2 LYS 70 -15.840 0.018 -10.111 491 H LYS 71 HN LYS 71 -19.396 0.993 -5.607 492 HA LYS 71 HA LYS 71 -19.845 -1.690 -4.507 493 HB2 LYS 71 HB2 LYS 71 -21.362 0.758 -4.017 494 HB3 LYS 71 HB3 LYS 71 -22.365 -0.512 -4.687 495 HG2 LYS 71 HG2 LYS 71 -21.137 -2.053 -2.909 496 HG3 LYS 71 HG3 LYS 71 -20.748 -0.535 -2.123 497 HD2 LYS 71 HD2 LYS 71 -23.433 -0.167 -2.639 498 HD3 LYS 71 HD3 LYS 71 -23.385 -1.903 -2.405 499 HE2 LYS 71 HE2 LYS 71 -22.520 -1.705 -0.182 500 HE3 LYS 71 HE3 LYS 71 -22.009 -0.048 -0.431 501 HZ1 LYS 71 HZ1 LYS 71 -24.853 -0.495 -0.790 502 HZ2 LYS 71 HZ2 LYS 71 -24.327 -0.719 0.736 Start of MODEL 12 1 H1 ALA 1 HN ALA 1 0.918 -0.474 1.286 2 HA ALA 1 HA ALA 1 3.437 0.746 0.527 3 HB1 ALA 1 HB1 ALA 1 3.750 -1.153 -0.681 4 HB2 ALA 1 HB2 ALA 1 2.422 -1.793 0.314 5 HB3 ALA 1 HB3 ALA 1 2.085 -1.146 -1.310 6 H ASP 2 HN ASP 2 2.621 2.943 0.225 7 HA ASP 2 HA ASP 2 2.008 4.586 -1.052 8 HB2 ASP 2 HB2 ASP 2 2.976 3.898 -3.045 9 HB3 ASP 2 HB3 ASP 2 2.149 2.353 -3.038 10 HD2 ASP 2 HD2 ASP 2 1.575 5.702 -4.335 11 H ASP 3 HN ASP 3 -0.006 1.734 -2.132 12 HA ASP 3 HA ASP 3 -2.353 3.397 -1.842 13 HB2 ASP 3 HB2 ASP 3 -1.797 1.845 -3.878 14 HB3 ASP 3 HB3 ASP 3 -2.265 0.520 -2.830 15 HD2 ASP 3 HD2 ASP 3 -4.178 -0.065 -3.255 16 H ILE 4 HN ILE 4 -3.950 2.939 -0.247 17 HA ILE 4 HA ILE 4 -3.475 0.556 1.397 18 HB ILE 4 HB ILE 4 -4.221 3.291 2.435 19 HG12 ILE 4 HG1 ILE 4 -1.577 1.958 2.051 20 HG23 ILE 4 HG2 ILE 4 -3.210 1.144 4.215 21 HD11 ILE 4 HD1 ILE 4 -2.455 3.508 4.507 22 H VAL 5 HN VAL 5 -5.171 -0.786 1.127 23 HA VAL 5 HA VAL 5 -7.725 0.385 0.377 24 HB VAL 5 HB VAL 5 -6.633 -2.430 0.424 25 HG13 VAL 5 HG1 VAL 5 -8.688 -3.290 0.285 26 HG21 VAL 5 HG2 VAL 5 -6.162 -2.174 -1.762 27 H LEU 6 HN LEU 6 -9.212 0.864 1.899 28 HA LEU 6 HA LEU 6 -8.876 -0.342 4.527 29 HB2 LEU 6 HB2 LEU 6 -10.599 1.954 3.582 30 HB3 LEU 6 HB3 LEU 6 -10.476 1.392 5.238 31 HG LEU 6 HG LEU 6 -7.986 2.237 3.790 32 HD13 LEU 6 HD1 LEU 6 -9.596 4.036 3.362 33 HD21 LEU 6 HD2 LEU 6 -8.541 1.302 6.355 34 H LYS 7 HN LYS 7 -9.564 -2.498 3.808 35 HA LYS 7 HA LYS 7 -11.736 -3.261 2.508 36 HB2 LYS 7 HB2 LYS 7 -10.524 -4.330 5.052 37 HB3 LYS 7 HB3 LYS 7 -11.915 -5.114 4.328 38 HG2 LYS 7 HG2 LYS 7 -10.326 -4.787 2.106 39 HG3 LYS 7 HG3 LYS 7 -9.097 -4.958 3.343 40 HD2 LYS 7 HD2 LYS 7 -9.811 -7.137 3.948 41 HD3 LYS 7 HD3 LYS 7 -11.418 -6.904 3.287 42 HE2 LYS 7 HE2 LYS 7 -10.217 -8.370 1.770 43 HE3 LYS 7 HE3 LYS 7 -10.402 -6.824 0.965 44 HZ1 LYS 7 HZ1 LYS 7 -8.124 -6.262 1.664 45 HZ2 LYS 7 HZ2 LYS 7 -7.953 -7.705 2.401 46 H ALA 8 HN ALA 8 -13.867 -2.799 2.490 47 HA ALA 8 HA ALA 8 -15.078 -2.026 5.049 48 HB1 ALA 8 HB1 ALA 8 -16.423 -0.624 3.002 49 HB2 ALA 8 HB2 ALA 8 -15.342 0.056 4.243 50 HB3 ALA 8 HB3 ALA 8 -14.688 -0.419 2.657 51 H LYS 9 HN LYS 9 -17.107 -2.910 5.435 52 HA LYS 9 HA LYS 9 -17.814 -5.126 3.800 53 HB2 LYS 9 HB2 LYS 9 -18.360 -4.164 6.447 54 HB3 LYS 9 HB3 LYS 9 -19.887 -4.484 5.651 55 HG2 LYS 9 HG2 LYS 9 -19.421 -6.765 5.347 56 HG3 LYS 9 HG3 LYS 9 -17.686 -6.522 5.337 57 HD2 LYS 9 HD2 LYS 9 -18.033 -5.779 7.856 58 HD3 LYS 9 HD3 LYS 9 -19.563 -6.621 7.716 59 HE2 LYS 9 HE2 LYS 9 -18.570 -8.680 7.754 60 HE3 LYS 9 HE3 LYS 9 -17.326 -8.202 6.616 61 HZ1 LYS 9 HZ1 LYS 9 -16.976 -8.541 9.317 62 HZ2 LYS 9 HZ2 LYS 9 -15.907 -7.838 8.309 63 H ASN 10 HN ASN 10 -18.221 -1.814 3.399 64 HA ASN 10 HA ASN 10 -20.551 -2.337 1.735 65 HB2 ASN 10 HB2 ASN 10 -20.019 0.125 3.481 66 HB3 ASN 10 HB3 ASN 10 -21.278 0.061 2.264 67 HD21 ASN 10 HD2 ASN 10 -23.228 -0.763 5.122 68 H GLY 11 HN GLY 11 -18.193 -2.612 0.506 69 HA2 GLY 11 HA1 GLY 11 -17.282 -1.780 -1.440 70 HA3 GLY 11 HA2 GLY 11 -17.902 -0.182 -1.075 71 H ASP 12 HN ASP 12 -15.082 -1.588 -1.629 72 HA ASP 12 HA ASP 12 -13.620 -0.989 0.699 73 HB2 ASP 12 HB2 ASP 12 -11.702 -1.615 -0.574 74 HB3 ASP 12 HB3 ASP 12 -12.998 -2.617 -1.194 75 HD2 ASP 12 HD2 ASP 12 -10.533 -0.790 -2.106 76 H VAL 13 HN VAL 13 -11.670 0.657 0.530 77 HA VAL 13 HA VAL 13 -12.546 3.032 -0.962 78 HB VAL 13 HB VAL 13 -11.390 2.863 1.828 79 HG13 VAL 13 HG1 VAL 13 -12.040 5.411 1.698 80 HG21 VAL 13 HG2 VAL 13 -13.554 3.849 2.516 81 H LYS 14 HN LYS 14 -11.118 3.395 -2.577 82 HA LYS 14 HA LYS 14 -8.450 2.342 -2.356 83 HB2 LYS 14 HB2 LYS 14 -9.795 2.202 -4.444 84 HB3 LYS 14 HB3 LYS 14 -9.756 3.950 -4.572 85 HG2 LYS 14 HG2 LYS 14 -7.979 2.951 -5.966 86 HG3 LYS 14 HG3 LYS 14 -7.272 3.911 -4.681 87 HD2 LYS 14 HD2 LYS 14 -6.353 2.081 -3.627 88 HD3 LYS 14 HD3 LYS 14 -7.739 1.061 -3.957 89 HE2 LYS 14 HE2 LYS 14 -5.716 0.285 -5.190 90 HE3 LYS 14 HE3 LYS 14 -7.005 0.732 -6.290 91 HZ1 LYS 14 HZ1 LYS 14 -5.920 2.825 -6.709 92 HZ2 LYS 14 HZ2 LYS 14 -4.808 2.585 -5.545 93 H PHE 15 HN PHE 15 -7.670 3.553 -0.514 94 HA PHE 15 HA PHE 15 -7.445 6.424 -0.942 95 HB2 PHE 15 HB2 PHE 15 -8.198 5.267 1.252 96 HB3 PHE 15 HB3 PHE 15 -6.586 4.592 1.377 97 HD1 PHE 15 HD2 PHE 15 -7.453 8.024 0.267 98 HD2 PHE 15 HD1 PHE 15 -5.829 5.608 3.355 99 HE1 PHE 15 HE2 PHE 15 -6.684 10.085 1.475 100 HE2 PHE 15 HE1 PHE 15 -5.061 7.669 4.563 101 HZ PHE 15 HZ PHE 15 -5.497 9.883 3.608 102 HA PRO 16 HA PRO 16 -3.276 5.598 -2.330 103 HB2 PRO 16 HB2 PRO 16 -2.998 7.969 -3.683 104 HB3 PRO 16 HB3 PRO 16 -3.984 6.606 -4.307 105 HG2 PRO 16 HG2 PRO 16 -5.186 9.264 -3.127 106 HG3 PRO 16 HG3 PRO 16 -5.331 7.918 -4.303 107 HD2 PRO 16 HD2 PRO 16 -6.313 8.140 -1.487 108 HD3 PRO 16 HD3 PRO 16 -6.799 6.984 -2.765 109 H HIS 17 HN HIS 17 -2.457 5.674 -0.167 110 HA HIS 17 HA HIS 17 -2.182 8.040 1.391 111 HB2 HIS 17 HB2 HIS 17 -2.020 5.674 2.182 112 HB3 HIS 17 HB3 HIS 17 -0.414 5.532 1.347 113 HD1 HIS 17 HD1 HIS 17 1.561 6.355 2.553 114 HD2 HIS 17 HD2 HIS 17 -1.983 7.398 4.509 115 HE1 HIS 17 HE1 HIS 17 2.256 7.280 4.856 116 H LYS 18 HN LYS 18 0.427 6.346 -0.558 117 HA LYS 18 HA LYS 18 2.398 8.131 -0.341 118 HB2 LYS 18 HB2 LYS 18 3.067 6.404 -1.634 119 HB3 LYS 18 HB3 LYS 18 1.516 6.243 -2.433 120 HG2 LYS 18 HG2 LYS 18 2.023 7.853 -4.064 121 HG3 LYS 18 HG3 LYS 18 3.157 8.703 -3.033 122 HD2 LYS 18 HD2 LYS 18 4.698 6.663 -3.201 123 HD3 LYS 18 HD3 LYS 18 3.602 6.012 -4.404 124 HE2 LYS 18 HE2 LYS 18 3.912 8.255 -5.678 125 HE3 LYS 18 HE3 LYS 18 5.245 8.572 -4.585 126 HZ1 LYS 18 HZ1 LYS 18 6.499 6.920 -5.534 127 HZ2 LYS 18 HZ2 LYS 18 5.235 5.961 -5.899 128 H ALA 19 HN ALA 19 -0.581 8.504 -2.303 129 HA ALA 19 HA ALA 19 0.253 10.853 -3.613 130 HB1 ALA 19 HB1 ALA 19 -1.628 9.265 -4.252 131 HB2 ALA 19 HB2 ALA 19 -2.586 9.995 -2.942 132 HB3 ALA 19 HB3 ALA 19 -2.043 10.995 -4.310 133 H HIS 20 HN HIS 20 -1.419 10.140 -0.590 134 HA HIS 20 HA HIS 20 -1.885 12.959 0.063 135 HB2 HIS 20 HB2 HIS 20 -2.392 10.255 1.347 136 HB3 HIS 20 HB3 HIS 20 -2.471 11.761 2.359 137 HD1 HIS 20 HD1 HIS 20 -4.029 10.311 -0.770 138 HD2 HIS 20 HD2 HIS 20 -4.909 12.996 2.311 139 HE1 HIS 20 HE1 HIS 20 -6.491 11.001 -1.099 140 H GLN 21 HN GLN 21 0.928 11.253 -0.180 141 HA GLN 21 HA GLN 21 2.025 12.270 2.301 142 HB2 GLN 21 HB2 GLN 21 2.415 9.870 1.072 143 HB3 GLN 21 HB3 GLN 21 3.742 10.767 0.363 144 HG2 GLN 21 HG2 GLN 21 3.204 10.285 3.323 145 HG3 GLN 21 HG3 GLN 21 4.584 9.744 2.388 146 HE21 GLN 21 HE2 GLN 21 6.514 12.554 2.932 147 H LYS 22 HN LYS 22 1.256 13.644 -0.501 148 HA LYS 22 HA LYS 22 3.531 15.431 -0.398 149 HB2 LYS 22 HB2 LYS 22 3.147 13.477 -2.539 150 HB3 LYS 22 HB3 LYS 22 3.183 15.122 -3.142 151 HG2 LYS 22 HG2 LYS 22 5.292 15.450 -1.655 152 HG3 LYS 22 HG3 LYS 22 5.303 13.707 -1.474 153 HD2 LYS 22 HD2 LYS 22 6.577 13.749 -3.378 154 HD3 LYS 22 HD3 LYS 22 5.034 13.886 -4.195 155 HE2 LYS 22 HE2 LYS 22 5.574 16.536 -3.493 156 HE3 LYS 22 HE3 LYS 22 7.169 15.913 -3.860 157 HZ1 LYS 22 HZ1 LYS 22 6.636 16.057 -6.022 158 HZ2 LYS 22 HZ2 LYS 22 5.432 14.975 -5.843 159 H ALA 23 HN ALA 23 0.491 15.181 0.186 160 HA ALA 23 HA ALA 23 -0.287 17.502 -1.445 161 HB1 ALA 23 HB1 ALA 23 -2.174 15.485 -0.187 162 HB2 ALA 23 HB2 ALA 23 -2.527 16.693 -1.446 163 HB3 ALA 23 HB3 ALA 23 -1.513 15.281 -1.828 164 H VAL 24 HN VAL 24 0.888 16.591 1.509 165 HA VAL 24 HA VAL 24 -0.647 18.709 2.844 166 HB VAL 24 HB VAL 24 0.488 16.509 4.474 167 HG13 VAL 24 HG1 VAL 24 -0.645 18.303 5.597 168 HG21 VAL 24 HG2 VAL 24 -0.422 15.030 2.925 169 HA PRO 25 HA PRO 25 3.676 20.139 2.129 170 HB2 PRO 25 HB2 PRO 25 2.172 22.412 3.484 171 HB3 PRO 25 HB3 PRO 25 3.363 22.439 2.143 172 HG2 PRO 25 HG2 PRO 25 0.772 22.537 1.912 173 HG3 PRO 25 HG3 PRO 25 1.623 21.901 0.467 174 HD2 PRO 25 HD2 PRO 25 -0.209 20.516 2.270 175 HD3 PRO 25 HD3 PRO 25 0.667 19.835 0.867 176 H ASP 26 HN ASP 26 1.535 20.027 5.026 177 HA ASP 26 HA ASP 26 3.993 19.892 6.588 178 HB2 ASP 26 HB2 ASP 26 2.500 21.968 6.935 179 HB3 ASP 26 HB3 ASP 26 1.289 20.885 7.592 180 HD2 ASP 26 HD2 ASP 26 2.875 23.016 8.956 181 H CYS 27 HN CYS 27 3.770 17.493 6.127 182 HA CYS 27 HA CYS 27 1.570 15.980 6.632 183 HB2 CYS 27 HB2 CYS 27 3.431 14.974 5.600 184 HB3 CYS 27 HB3 CYS 27 4.509 15.394 6.916 185 H LYS 28 HN LYS 28 1.304 14.398 8.589 186 HA LYS 28 HA LYS 28 1.335 13.960 10.800 187 HB2 LYS 28 HB2 LYS 28 2.595 16.644 11.381 188 HB3 LYS 28 HB3 LYS 28 2.544 15.224 12.405 189 HG2 LYS 28 HG2 LYS 28 4.414 14.361 11.443 190 HG3 LYS 28 HG3 LYS 28 3.747 14.545 9.833 191 HD2 LYS 28 HD2 LYS 28 4.910 16.471 9.443 192 HD3 LYS 28 HD3 LYS 28 4.510 17.138 11.014 193 HE2 LYS 28 HE2 LYS 28 6.326 15.969 12.093 194 HE3 LYS 28 HE3 LYS 28 6.575 14.918 10.713 195 HZ1 LYS 28 HZ1 LYS 28 7.381 16.788 9.444 196 HZ2 LYS 28 HZ2 LYS 28 6.989 17.858 10.607 197 H LYS 29 HN LYS 29 -0.298 16.036 8.924 198 HA LYS 29 HA LYS 29 -1.730 17.588 10.798 199 HB2 LYS 29 HB2 LYS 29 -1.471 18.077 8.354 200 HB3 LYS 29 HB3 LYS 29 -2.548 16.741 8.003 201 HG2 LYS 29 HG2 LYS 29 -4.333 18.093 8.347 202 HG3 LYS 29 HG3 LYS 29 -3.847 18.305 10.018 203 HD2 LYS 29 HD2 LYS 29 -3.677 20.514 9.403 204 HD3 LYS 29 HD3 LYS 29 -2.087 20.023 8.853 205 HE2 LYS 29 HE2 LYS 29 -2.760 19.906 6.578 206 HE3 LYS 29 HE3 LYS 29 -4.458 19.750 6.982 207 HZ1 LYS 29 HZ1 LYS 29 -4.634 22.013 7.386 208 HZ2 LYS 29 HZ2 LYS 29 -3.062 22.218 7.760 209 H CYS 30 HN CYS 30 -2.334 14.410 9.179 210 HA CYS 30 HA CYS 30 -4.763 14.092 10.679 211 HB2 CYS 30 HB2 CYS 30 -3.590 11.804 9.169 212 HB3 CYS 30 HB3 CYS 30 -5.253 12.346 9.281 213 H HIS 31 HN HIS 31 -1.456 12.846 10.506 214 HA HIS 31 HA HIS 31 -1.777 10.940 12.693 215 HB2 HIS 31 HB2 HIS 31 0.642 12.029 11.154 216 HB3 HIS 31 HB3 HIS 31 0.739 10.750 12.440 217 HD1 HIS 31 HD1 HIS 31 -1.211 8.767 11.778 218 HD2 HIS 31 HD2 HIS 31 0.776 10.827 8.732 219 HE1 HIS 31 HE1 HIS 31 -1.361 7.272 9.683 220 H GLU 32 HN GLU 32 0.672 13.640 12.505 221 HA GLU 32 HA GLU 32 1.280 15.139 13.956 222 HB2 GLU 32 HB2 GLU 32 -1.400 15.354 14.110 223 HB3 GLU 32 HB3 GLU 32 -1.111 14.808 15.750 224 HG2 GLU 32 HG2 GLU 32 0.878 16.769 15.309 225 HG3 GLU 32 HG3 GLU 32 -0.551 17.426 14.537 226 HE2 GLU 32 HE2 GLU 32 -2.101 18.208 15.916 227 H LYS 33 HN LYS 33 -0.441 12.451 15.694 228 HA LYS 33 HA LYS 33 1.463 12.547 17.838 229 HB2 LYS 33 HB2 LYS 33 -0.182 11.550 18.952 230 HB3 LYS 33 HB3 LYS 33 -1.167 11.643 17.506 231 HG2 LYS 33 HG2 LYS 33 0.083 9.448 16.774 232 HG3 LYS 33 HG3 LYS 33 0.554 9.328 18.458 233 HD2 LYS 33 HD2 LYS 33 -2.313 9.932 18.186 234 HD3 LYS 33 HD3 LYS 33 -1.884 8.465 17.329 235 HE2 LYS 33 HE2 LYS 33 -1.319 7.322 19.268 236 HE3 LYS 33 HE3 LYS 33 -0.700 8.754 20.065 237 HZ1 LYS 33 HZ1 LYS 33 -3.594 8.552 19.553 238 HZ2 LYS 33 HZ2 LYS 33 -2.962 7.755 20.824 239 H GLY 34 HN GLY 34 2.244 11.976 14.902 240 HA2 GLY 34 HA1 GLY 34 4.112 10.855 14.167 241 HA3 GLY 34 HA2 GLY 34 4.049 9.793 15.559 242 HA PRO 35 HA PRO 35 2.241 7.983 11.461 243 HB2 PRO 35 HB2 PRO 35 4.343 6.195 11.060 244 HB3 PRO 35 HB3 PRO 35 4.241 7.829 10.328 245 HG2 PRO 35 HG2 PRO 35 5.775 7.042 12.989 246 HG3 PRO 35 HG3 PRO 35 6.368 7.933 11.551 247 HD2 PRO 35 HD2 PRO 35 5.392 9.274 13.688 248 HD3 PRO 35 HD3 PRO 35 4.932 9.792 12.037 249 H GLY 36 HN GLY 36 2.819 5.129 11.301 250 HA2 GLY 36 HA1 GLY 36 2.591 3.171 12.478 251 HA3 GLY 36 HA2 GLY 36 2.386 4.066 13.970 252 H LYS 37 HN LYS 37 0.714 1.871 13.261 253 HA LYS 37 HA LYS 37 -1.587 2.412 11.915 254 HB2 LYS 37 HB2 LYS 37 -2.634 0.729 13.446 255 HB3 LYS 37 HB3 LYS 37 -1.132 0.213 12.705 256 HG2 LYS 37 HG2 LYS 37 -0.923 1.597 15.367 257 HG3 LYS 37 HG3 LYS 37 -1.607 -0.017 15.367 258 HD2 LYS 37 HD2 LYS 37 0.703 -0.071 13.651 259 HD3 LYS 37 HD3 LYS 37 1.169 0.759 15.122 260 HE2 LYS 37 HE2 LYS 37 1.523 -1.406 15.852 261 HE3 LYS 37 HE3 LYS 37 -0.175 -1.288 16.266 262 HZ1 LYS 37 HZ1 LYS 37 0.011 -3.250 15.002 263 HZ2 LYS 37 HZ2 LYS 37 -0.579 -2.188 13.918 264 H ILE 38 HN ILE 38 -2.542 4.415 12.022 265 HA ILE 38 HA ILE 38 -2.681 6.182 13.981 266 HB ILE 38 HB ILE 38 -4.451 5.401 11.779 267 HG12 ILE 38 HG1 ILE 38 -2.561 7.333 12.241 268 HG23 ILE 38 HG2 ILE 38 -6.235 7.028 12.499 269 HD11 ILE 38 HD1 ILE 38 -4.402 8.513 13.651 270 H GLU 39 HN GLU 39 -3.825 6.618 15.894 271 HA GLU 39 HA GLU 39 -4.222 4.630 17.612 272 HB2 GLU 39 HB2 GLU 39 -5.503 6.185 18.976 273 HB3 GLU 39 HB3 GLU 39 -4.253 7.081 18.135 274 HG2 GLU 39 HG2 GLU 39 -5.922 8.468 17.444 275 HG3 GLU 39 HG3 GLU 39 -6.350 7.198 16.313 276 HE2 GLU 39 HE2 GLU 39 -8.740 6.478 16.808 277 H GLY 40 HN GLY 40 -5.266 2.747 16.912 278 HA2 GLY 40 HA1 GLY 40 -6.945 1.519 15.914 279 HA3 GLY 40 HA2 GLY 40 -7.750 2.113 17.354 280 H PHE 41 HN PHE 41 -7.143 2.820 13.868 281 HA PHE 41 HA PHE 41 -8.760 4.990 13.541 282 HB2 PHE 41 HB2 PHE 41 -7.273 3.866 11.833 283 HB3 PHE 41 HB3 PHE 41 -8.354 2.487 11.794 284 HD1 PHE 41 HD1 PHE 41 -10.854 3.061 11.154 285 HD2 PHE 41 HD2 PHE 41 -7.513 5.505 10.222 286 HE1 PHE 41 HE1 PHE 41 -12.159 4.136 9.298 287 HE2 PHE 41 HE2 PHE 41 -8.818 6.580 8.366 288 HZ PHE 41 HZ PHE 41 -11.125 5.883 7.927 289 H GLY 42 HN GLY 42 -10.961 5.217 12.637 290 HA2 GLY 42 HA1 GLY 42 -12.743 2.936 13.068 291 HA3 GLY 42 HA2 GLY 42 -13.003 4.363 14.051 292 H LYS 43 HN LYS 43 -15.005 3.484 12.299 293 HA LYS 43 HA LYS 43 -14.824 4.771 9.781 294 HB2 LYS 43 HB2 LYS 43 -16.830 3.224 11.315 295 HB3 LYS 43 HB3 LYS 43 -17.492 4.384 10.183 296 HG2 LYS 43 HG2 LYS 43 -17.185 2.702 8.654 297 HG3 LYS 43 HG3 LYS 43 -15.537 3.295 8.612 298 HD2 LYS 43 HD2 LYS 43 -16.322 1.240 10.696 299 HD3 LYS 43 HD3 LYS 43 -16.018 0.719 9.051 300 HE2 LYS 43 HE2 LYS 43 -13.757 1.806 9.132 301 HE3 LYS 43 HE3 LYS 43 -14.061 2.304 10.785 302 HZ1 LYS 43 HZ1 LYS 43 -13.330 -0.300 9.804 303 HZ2 LYS 43 HZ2 LYS 43 -13.169 0.309 11.306 304 H GLU 44 HN GLU 44 -16.705 5.525 12.801 305 HA GLU 44 HA GLU 44 -17.840 7.811 12.060 306 HB2 GLU 44 HB2 GLU 44 -18.080 8.311 14.347 307 HB3 GLU 44 HB3 GLU 44 -17.815 6.578 14.356 308 HG2 GLU 44 HG2 GLU 44 -15.586 8.632 14.735 309 HG3 GLU 44 HG3 GLU 44 -16.439 7.870 16.063 310 HE2 GLU 44 HE2 GLU 44 -13.524 6.720 15.817 311 H MET 45 HN MET 45 -14.384 7.294 12.799 312 HA MET 45 HA MET 45 -13.770 10.046 12.878 313 HB2 MET 45 HB2 MET 45 -12.482 7.550 13.392 314 HB3 MET 45 HB3 MET 45 -11.547 8.275 12.099 315 HG2 MET 45 HG2 MET 45 -10.482 9.383 13.804 316 HG3 MET 45 HG3 MET 45 -11.863 10.461 13.732 317 HE1 MET 45 HE1 MET 45 -10.168 10.184 16.446 318 HE2 MET 45 HE2 MET 45 -10.504 8.722 17.405 319 HE3 MET 45 HE3 MET 45 -9.680 8.586 15.832 320 H ALA 46 HN ALA 46 -13.715 7.475 10.362 321 HA ALA 46 HA ALA 46 -12.271 8.738 8.411 322 HB1 ALA 46 HB1 ALA 46 -14.789 7.070 8.023 323 HB2 ALA 46 HB2 ALA 46 -13.449 7.274 6.871 324 HB3 ALA 46 HB3 ALA 46 -13.183 6.397 8.396 325 H HIS 47 HN HIS 47 -15.833 8.690 8.604 326 HA HIS 47 HA HIS 47 -16.206 10.858 6.761 327 HB2 HIS 47 HB2 HIS 47 -18.177 9.920 8.906 328 HB3 HIS 47 HB3 HIS 47 -18.526 10.662 7.286 329 HD1 HIS 47 HD1 HIS 47 -18.743 7.602 8.929 330 HD2 HIS 47 HD2 HIS 47 -17.369 8.715 5.142 331 HE1 HIS 47 HE1 HIS 47 -18.838 5.475 7.477 332 H GLY 48 HN GLY 48 -15.031 10.831 9.991 333 HA2 GLY 48 HA1 GLY 48 -16.180 13.312 10.865 334 HA3 GLY 48 HA2 GLY 48 -14.870 12.414 11.605 335 H LYS 49 HN LYS 49 -13.124 13.756 11.794 336 HA LYS 49 HA LYS 49 -12.517 15.455 9.479 337 HB2 LYS 49 HB2 LYS 49 -12.854 16.122 12.174 338 HB3 LYS 49 HB3 LYS 49 -11.116 16.120 11.947 339 HG2 LYS 49 HG2 LYS 49 -11.553 17.515 9.798 340 HG3 LYS 49 HG3 LYS 49 -13.189 17.718 10.390 341 HD2 LYS 49 HD2 LYS 49 -11.615 18.321 12.637 342 HD3 LYS 49 HD3 LYS 49 -10.694 18.999 11.310 343 HE2 LYS 49 HE2 LYS 49 -12.549 20.374 10.589 344 HE3 LYS 49 HE3 LYS 49 -13.685 19.506 11.604 345 HZ1 LYS 49 HZ1 LYS 49 -11.401 20.871 12.870 346 HZ2 LYS 49 HZ2 LYS 49 -12.702 21.748 12.434 347 H GLY 50 HN GLY 50 -11.872 12.838 9.091 348 HA2 GLY 50 HA1 GLY 50 -8.971 12.964 9.066 349 HA3 GLY 50 HA2 GLY 50 -9.656 11.670 10.030 350 H CYS 51 HN CYS 51 -11.103 13.058 7.037 351 HA CYS 51 HA CYS 51 -10.080 11.269 5.224 352 HB2 CYS 51 HB2 CYS 51 -11.568 9.800 6.953 353 HB3 CYS 51 HB3 CYS 51 -12.794 10.227 5.777 354 H LYS 52 HN LYS 52 -13.443 12.293 6.202 355 HA LYS 52 HA LYS 52 -13.711 13.561 3.590 356 HB2 LYS 52 HB2 LYS 52 -15.410 11.900 4.484 357 HB3 LYS 52 HB3 LYS 52 -15.854 13.104 5.678 358 HG2 LYS 52 HG2 LYS 52 -15.910 14.629 3.382 359 HG3 LYS 52 HG3 LYS 52 -16.373 13.066 2.738 360 HD2 LYS 52 HD2 LYS 52 -17.762 13.640 5.268 361 HD3 LYS 52 HD3 LYS 52 -18.052 14.894 4.080 362 HE2 LYS 52 HE2 LYS 52 -18.260 12.006 3.210 363 HE3 LYS 52 HE3 LYS 52 -19.570 12.695 4.149 364 HZ1 LYS 52 HZ1 LYS 52 -18.694 13.415 1.450 365 HZ2 LYS 52 HZ2 LYS 52 -20.208 13.296 2.037 366 H GLY 53 HN GLY 53 -14.372 14.284 7.093 367 HA2 GLY 53 HA1 GLY 53 -15.030 16.843 7.122 368 HA3 GLY 53 HA2 GLY 53 -13.847 16.190 8.237 369 H CYS 54 HN CYS 54 -11.658 15.657 6.504 370 HA CYS 54 HA CYS 54 -10.410 18.091 6.442 371 HB2 CYS 54 HB2 CYS 54 -9.731 15.426 5.851 372 HB3 CYS 54 HB3 CYS 54 -9.347 16.322 4.396 373 H HIS 55 HN HIS 55 -11.196 16.191 3.530 374 HA HIS 55 HA HIS 55 -10.978 18.059 1.549 375 HB2 HIS 55 HB2 HIS 55 -13.311 16.080 1.724 376 HB3 HIS 55 HB3 HIS 55 -12.499 16.731 0.237 377 HD1 HIS 55 HD1 HIS 55 -12.845 13.717 1.630 378 HD2 HIS 55 HD2 HIS 55 -9.388 15.937 0.864 379 HE1 HIS 55 HE1 HIS 55 -10.915 12.015 1.488 380 H GLU 56 HN GLU 56 -13.868 17.668 3.733 381 HA GLU 56 HA GLU 56 -15.434 19.554 2.504 382 HB2 GLU 56 HB2 GLU 56 -16.479 18.186 4.126 383 HB3 GLU 56 HB3 GLU 56 -15.250 18.501 5.335 384 HG2 GLU 56 HG2 GLU 56 -16.708 20.922 4.378 385 HG3 GLU 56 HG3 GLU 56 -17.700 19.763 5.241 386 HE2 GLU 56 HE2 GLU 56 -16.188 19.951 8.188 387 H GLU 57 HN GLU 57 -12.972 19.918 5.132 388 HA GLU 57 HA GLU 57 -13.428 22.723 5.257 389 HB2 GLU 57 HB2 GLU 57 -12.517 20.965 7.074 390 HB3 GLU 57 HB3 GLU 57 -10.963 21.444 6.420 391 HG2 GLU 57 HG2 GLU 57 -13.011 23.536 7.242 392 HG3 GLU 57 HG3 GLU 57 -11.952 22.806 8.433 393 HE2 GLU 57 HE2 GLU 57 -10.228 23.906 8.712 394 H MET 58 HN MET 58 -10.768 20.546 4.091 395 HA MET 58 HA MET 58 -9.132 22.593 3.207 396 HB2 MET 58 HB2 MET 58 -9.114 19.770 3.312 397 HB3 MET 58 HB3 MET 58 -9.047 20.101 1.592 398 HG2 MET 58 HG2 MET 58 -7.039 21.447 1.835 399 HG3 MET 58 HG3 MET 58 -7.192 21.485 3.579 400 HE1 MET 58 HE1 MET 58 -4.671 20.966 3.155 401 HE2 MET 58 HE2 MET 58 -5.102 20.121 4.661 402 HE3 MET 58 HE3 MET 58 -4.103 19.302 3.435 403 H LYS 59 HN LYS 59 -12.103 21.294 1.907 404 HA LYS 59 HA LYS 59 -13.296 21.806 0.121 405 HB2 LYS 59 HB2 LYS 59 -11.480 24.145 0.332 406 HB3 LYS 59 HB3 LYS 59 -12.269 23.928 -1.218 407 HG2 LYS 59 HG2 LYS 59 -14.259 23.430 0.787 408 HG3 LYS 59 HG3 LYS 59 -13.407 24.881 1.278 409 HD2 LYS 59 HD2 LYS 59 -13.758 25.838 -1.028 410 HD3 LYS 59 HD3 LYS 59 -14.667 24.405 -1.464 411 HE2 LYS 59 HE2 LYS 59 -16.546 25.185 -0.447 412 HE3 LYS 59 HE3 LYS 59 -15.684 25.501 1.046 413 HZ1 LYS 59 HZ1 LYS 59 -15.326 27.670 0.452 414 HZ2 LYS 59 HZ2 LYS 59 -15.185 27.368 -1.143 415 H LYS 60 HN LYS 60 -10.560 20.218 0.131 416 HA LYS 60 HA LYS 60 -10.566 19.887 -2.781 417 HB2 LYS 60 HB2 LYS 60 -8.051 19.419 -2.515 418 HB3 LYS 60 HB3 LYS 60 -8.588 21.086 -2.527 419 HG2 LYS 60 HG2 LYS 60 -8.541 21.143 -0.040 420 HG3 LYS 60 HG3 LYS 60 -8.068 19.457 0.005 421 HD2 LYS 60 HD2 LYS 60 -6.047 20.755 0.268 422 HD3 LYS 60 HD3 LYS 60 -5.997 20.064 -1.341 423 HE2 LYS 60 HE2 LYS 60 -7.318 22.450 -1.824 424 HE3 LYS 60 HE3 LYS 60 -6.252 22.913 -0.514 425 HZ1 LYS 60 HZ1 LYS 60 -5.339 23.020 -2.900 426 HZ2 LYS 60 HZ2 LYS 60 -4.371 22.347 -1.776 427 H GLY 61 HN GLY 61 -10.766 17.789 -3.445 428 HA2 GLY 61 HA1 GLY 61 -10.104 15.479 -3.057 429 HA3 GLY 61 HA2 GLY 61 -10.465 15.712 -1.358 430 HA PRO 62 HA PRO 62 -14.307 14.254 -3.607 431 HB2 PRO 62 HB2 PRO 62 -14.158 11.549 -3.161 432 HB3 PRO 62 HB3 PRO 62 -13.334 12.353 -4.538 433 HG2 PRO 62 HG2 PRO 62 -11.928 11.269 -1.955 434 HG3 PRO 62 HG3 PRO 62 -11.755 11.505 -3.725 435 HD2 PRO 62 HD2 PRO 62 -10.989 13.291 -1.488 436 HD3 PRO 62 HD3 PRO 62 -10.609 13.453 -3.229 437 H THR 63 HN THR 63 -16.273 14.074 -2.440 438 HA THR 63 HA THR 63 -15.956 13.408 0.413 439 HB THR 63 HB THR 63 -17.560 15.208 0.889 440 HG1 THR 63 HG1 THR 63 -18.825 14.967 -1.065 441 HG21 THR 63 HG2 THR 63 -15.064 15.750 -0.551 442 H LYS 64 HN LYS 64 -17.768 13.075 -2.606 443 HA LYS 64 HA LYS 64 -20.073 11.926 -1.541 444 HB2 LYS 64 HB2 LYS 64 -18.709 11.713 -4.231 445 HB3 LYS 64 HB3 LYS 64 -20.222 10.900 -3.884 446 HG2 LYS 64 HG2 LYS 64 -20.134 13.777 -3.088 447 HG3 LYS 64 HG3 LYS 64 -20.026 13.487 -4.814 448 HD2 LYS 64 HD2 LYS 64 -22.201 12.776 -4.961 449 HD3 LYS 64 HD3 LYS 64 -22.097 11.833 -3.489 450 HE2 LYS 64 HE2 LYS 64 -22.067 14.200 -2.288 451 HE3 LYS 64 HE3 LYS 64 -22.730 14.782 -3.802 452 HZ1 LYS 64 HZ1 LYS 64 -24.187 12.513 -3.179 453 HZ2 LYS 64 HZ2 LYS 64 -24.051 13.308 -1.764 454 H CYS 65 HN CYS 65 -20.736 9.624 -1.589 455 HA CYS 65 HA CYS 65 -18.805 8.058 -0.266 456 HB2 CYS 65 HB2 CYS 65 -21.187 6.705 -1.373 457 HB3 CYS 65 HB3 CYS 65 -20.504 6.661 0.240 458 H GLY 66 HN GLY 66 -20.610 7.574 -3.401 459 HA2 GLY 66 HA1 GLY 66 -19.336 5.431 -4.428 460 HA3 GLY 66 HA2 GLY 66 -19.886 6.787 -5.394 461 H GLU 67 HN GLU 67 -17.950 8.644 -3.857 462 HA GLU 67 HA GLU 67 -15.813 8.275 -5.675 463 HB2 GLU 67 HB2 GLU 67 -16.254 10.249 -3.395 464 HB3 GLU 67 HB3 GLU 67 -14.872 10.314 -4.472 465 HG2 GLU 67 HG2 GLU 67 -17.729 10.303 -5.530 466 HG3 GLU 67 HG3 GLU 67 -16.920 11.790 -5.076 467 HE2 GLU 67 HE2 GLU 67 -15.986 9.804 -8.381 468 H CYS 68 HN CYS 68 -16.371 7.773 -2.164 469 HA CYS 68 HA CYS 68 -13.610 6.967 -1.827 470 HB2 CYS 68 HB2 CYS 68 -15.822 7.776 -0.031 471 HB3 CYS 68 HB3 CYS 68 -14.801 6.494 0.590 472 H HIS 69 HN HIS 69 -16.942 5.751 -1.545 473 HA HIS 69 HA HIS 69 -15.989 2.948 -1.319 474 HB2 HIS 69 HB2 HIS 69 -18.766 4.239 -1.122 475 HB3 HIS 69 HB3 HIS 69 -18.416 2.470 -0.912 476 HD1 HIS 69 HD1 HIS 69 -16.766 1.943 1.126 477 HD2 HIS 69 HD2 HIS 69 -18.655 5.671 1.202 478 HE1 HIS 69 HE1 HIS 69 -16.624 2.771 3.563 479 H LYS 70 HN LYS 70 -16.266 1.376 -2.902 480 HA LYS 70 HA LYS 70 -17.603 2.222 -5.362 481 HB2 LYS 70 HB2 LYS 70 -15.057 2.576 -5.419 482 HB3 LYS 70 HB3 LYS 70 -14.922 0.829 -5.412 483 HG2 LYS 70 HG2 LYS 70 -16.879 1.946 -7.377 484 HG3 LYS 70 HG3 LYS 70 -15.201 2.340 -7.691 485 HD2 LYS 70 HD2 LYS 70 -15.792 -0.518 -6.978 486 HD3 LYS 70 HD3 LYS 70 -16.363 0.031 -8.542 487 HE2 LYS 70 HE2 LYS 70 -14.266 -0.257 -9.358 488 HE3 LYS 70 HE3 LYS 70 -13.723 1.056 -8.333 489 HZ1 LYS 70 HZ1 LYS 70 -12.700 -1.320 -8.061 490 HZ2 LYS 70 HZ2 LYS 70 -12.974 -0.422 -6.730 491 H LYS 71 HN LYS 71 -18.976 0.692 -6.143 492 HA LYS 71 HA LYS 71 -18.608 -2.029 -5.101 493 HB2 LYS 71 HB2 LYS 71 -20.742 -0.244 -4.545 494 HB3 LYS 71 HB3 LYS 71 -21.378 -1.454 -5.640 495 HG2 LYS 71 HG2 LYS 71 -20.380 -3.252 -4.149 496 HG3 LYS 71 HG3 LYS 71 -19.898 -1.997 -3.023 497 HD2 LYS 71 HD2 LYS 71 -21.985 -1.894 -2.135 498 HD3 LYS 71 HD3 LYS 71 -22.703 -1.640 -3.714 499 HE2 LYS 71 HE2 LYS 71 -22.698 -4.086 -4.144 500 HE3 LYS 71 HE3 LYS 71 -21.893 -4.375 -2.614 501 HZ1 LYS 71 HZ1 LYS 71 -23.834 -4.124 -1.504 502 HZ2 LYS 71 HZ2 LYS 71 -24.305 -2.815 -2.350 Start of MODEL 13 1 H1 ALA 1 HN ALA 1 2.088 1.267 2.847 2 HA ALA 1 HA ALA 1 3.734 1.453 0.907 3 HB1 ALA 1 HB1 ALA 1 3.388 -0.738 1.565 4 HB2 ALA 1 HB2 ALA 1 1.620 -0.627 1.388 5 HB3 ALA 1 HB3 ALA 1 2.652 -0.785 -0.054 6 H ASP 2 HN ASP 2 2.701 3.624 0.025 7 HA ASP 2 HA ASP 2 2.116 4.692 -1.774 8 HB2 ASP 2 HB2 ASP 2 2.989 3.534 -3.529 9 HB3 ASP 2 HB3 ASP 2 2.585 1.990 -2.805 10 HD2 ASP 2 HD2 ASP 2 1.102 1.326 -5.365 11 H ASP 3 HN ASP 3 0.177 1.605 -2.010 12 HA ASP 3 HA ASP 3 -2.208 3.273 -1.963 13 HB2 ASP 3 HB2 ASP 3 -3.343 1.381 -3.075 14 HB3 ASP 3 HB3 ASP 3 -1.937 1.882 -3.992 15 HD2 ASP 3 HD2 ASP 3 -3.436 -0.711 -3.486 16 H ILE 4 HN ILE 4 -3.714 2.923 -0.275 17 HA ILE 4 HA ILE 4 -3.194 0.607 1.454 18 HB ILE 4 HB ILE 4 -3.932 3.408 2.312 19 HG12 ILE 4 HG1 ILE 4 -1.331 1.890 2.300 20 HG23 ILE 4 HG2 ILE 4 -4.282 2.669 4.418 21 HD11 ILE 4 HD1 ILE 4 -2.320 3.976 4.261 22 H VAL 5 HN VAL 5 -4.847 -0.791 1.186 23 HA VAL 5 HA VAL 5 -7.438 0.271 0.425 24 HB VAL 5 HB VAL 5 -6.325 -2.530 0.668 25 HG13 VAL 5 HG1 VAL 5 -8.350 -3.436 0.206 26 HG21 VAL 5 HG2 VAL 5 -6.485 -0.529 -1.511 27 H LEU 6 HN LEU 6 -9.090 0.592 1.833 28 HA LEU 6 HA LEU 6 -8.697 -0.468 4.540 29 HB2 LEU 6 HB2 LEU 6 -10.305 1.903 3.577 30 HB3 LEU 6 HB3 LEU 6 -10.214 1.345 5.236 31 HG LEU 6 HG LEU 6 -7.683 2.063 3.789 32 HD13 LEU 6 HD1 LEU 6 -9.565 4.065 5.065 33 HD21 LEU 6 HD2 LEU 6 -7.595 2.989 6.400 34 H LYS 7 HN LYS 7 -9.487 -2.592 3.845 35 HA LYS 7 HA LYS 7 -11.738 -3.205 2.545 36 HB2 LYS 7 HB2 LYS 7 -11.896 -5.196 4.069 37 HB3 LYS 7 HB3 LYS 7 -10.322 -4.930 3.348 38 HG2 LYS 7 HG2 LYS 7 -9.328 -4.389 5.364 39 HG3 LYS 7 HG3 LYS 7 -10.753 -3.572 5.975 40 HD2 LYS 7 HD2 LYS 7 -11.722 -6.116 5.915 41 HD3 LYS 7 HD3 LYS 7 -10.020 -6.481 6.117 42 HE2 LYS 7 HE2 LYS 7 -10.181 -5.992 8.324 43 HE3 LYS 7 HE3 LYS 7 -10.595 -4.337 7.925 44 HZ1 LYS 7 HZ1 LYS 7 -12.289 -5.740 9.249 45 HZ2 LYS 7 HZ2 LYS 7 -12.869 -4.823 8.034 46 H ALA 8 HN ALA 8 -13.936 -3.028 2.767 47 HA ALA 8 HA ALA 8 -14.933 -2.121 5.364 48 HB1 ALA 8 HB1 ALA 8 -15.276 -0.057 4.535 49 HB2 ALA 8 HB2 ALA 8 -14.751 -0.566 2.911 50 HB3 ALA 8 HB3 ALA 8 -16.449 -0.773 3.404 51 H LYS 9 HN LYS 9 -17.275 -2.538 5.631 52 HA LYS 9 HA LYS 9 -17.944 -5.055 4.466 53 HB2 LYS 9 HB2 LYS 9 -18.467 -3.853 6.854 54 HB3 LYS 9 HB3 LYS 9 -19.982 -3.570 6.022 55 HG2 LYS 9 HG2 LYS 9 -19.350 -6.245 5.385 56 HG3 LYS 9 HG3 LYS 9 -18.871 -6.088 7.063 57 HD2 LYS 9 HD2 LYS 9 -21.050 -5.620 7.795 58 HD3 LYS 9 HD3 LYS 9 -21.538 -4.935 6.258 59 HE2 LYS 9 HE2 LYS 9 -22.668 -7.017 6.303 60 HE3 LYS 9 HE3 LYS 9 -21.273 -7.344 5.295 61 HZ1 LYS 9 HZ1 LYS 9 -20.176 -8.072 7.496 62 HZ2 LYS 9 HZ2 LYS 9 -21.683 -8.135 8.110 63 H ASN 10 HN ASN 10 -18.817 -1.629 3.982 64 HA ASN 10 HA ASN 10 -20.659 -2.526 1.912 65 HB2 ASN 10 HB2 ASN 10 -21.876 -1.090 3.377 66 HB3 ASN 10 HB3 ASN 10 -20.506 -0.028 3.635 67 HD21 ASN 10 HD2 ASN 10 -22.400 2.106 1.532 68 H GLY 11 HN GLY 11 -18.565 -2.882 0.605 69 HA2 GLY 11 HA1 GLY 11 -17.433 -2.171 -1.239 70 HA3 GLY 11 HA2 GLY 11 -18.001 -0.534 -0.974 71 H ASP 12 HN ASP 12 -15.228 -1.710 -1.538 72 HA ASP 12 HA ASP 12 -13.788 -1.332 0.864 73 HB2 ASP 12 HB2 ASP 12 -13.027 -2.810 -1.009 74 HB3 ASP 12 HB3 ASP 12 -12.855 -1.407 -2.045 75 HD2 ASP 12 HD2 ASP 12 -11.050 -1.752 1.310 76 H VAL 13 HN VAL 13 -11.777 0.330 0.698 77 HA VAL 13 HA VAL 13 -12.707 2.811 -0.558 78 HB VAL 13 HB VAL 13 -11.655 2.453 2.255 79 HG13 VAL 13 HG1 VAL 13 -12.628 5.090 1.807 80 HG21 VAL 13 HG2 VAL 13 -13.896 1.903 2.420 81 H LYS 14 HN LYS 14 -11.240 3.197 -2.142 82 HA LYS 14 HA LYS 14 -8.521 2.290 -1.774 83 HB2 LYS 14 HB2 LYS 14 -8.428 2.240 -4.012 84 HB3 LYS 14 HB3 LYS 14 -10.173 2.387 -3.941 85 HG2 LYS 14 HG2 LYS 14 -8.305 4.800 -4.035 86 HG3 LYS 14 HG3 LYS 14 -8.981 4.061 -5.474 87 HD2 LYS 14 HD2 LYS 14 -10.935 4.731 -3.300 88 HD3 LYS 14 HD3 LYS 14 -10.199 6.095 -4.116 89 HE2 LYS 14 HE2 LYS 14 -11.286 3.832 -5.799 90 HE3 LYS 14 HE3 LYS 14 -12.423 4.950 -5.073 91 HZ1 LYS 14 HZ1 LYS 14 -11.854 5.891 -7.146 92 HZ2 LYS 14 HZ2 LYS 14 -10.964 6.762 -6.097 93 H PHE 15 HN PHE 15 -7.116 3.503 -0.631 94 HA PHE 15 HA PHE 15 -7.395 6.415 -0.896 95 HB2 PHE 15 HB2 PHE 15 -7.935 5.364 1.375 96 HB3 PHE 15 HB3 PHE 15 -6.327 4.667 1.402 97 HD1 PHE 15 HD2 PHE 15 -7.471 8.093 0.461 98 HD2 PHE 15 HD1 PHE 15 -5.171 5.708 3.113 99 HE1 PHE 15 HE2 PHE 15 -6.592 10.169 1.564 100 HE2 PHE 15 HE1 PHE 15 -4.292 7.785 4.216 101 HZ PHE 15 HZ PHE 15 -5.012 9.990 3.427 102 HA PRO 16 HA PRO 16 -3.328 5.842 -2.662 103 HB2 PRO 16 HB2 PRO 16 -3.215 8.337 -3.803 104 HB3 PRO 16 HB3 PRO 16 -4.218 7.009 -4.472 105 HG2 PRO 16 HG2 PRO 16 -5.451 9.488 -2.896 106 HG3 PRO 16 HG3 PRO 16 -5.468 8.334 -4.270 107 HD2 PRO 16 HD2 PRO 16 -6.577 8.051 -1.534 108 HD3 PRO 16 HD3 PRO 16 -6.801 6.978 -2.949 109 H HIS 17 HN HIS 17 -2.412 5.749 -0.511 110 HA HIS 17 HA HIS 17 -2.026 7.991 1.191 111 HB2 HIS 17 HB2 HIS 17 -1.798 5.508 1.697 112 HB3 HIS 17 HB3 HIS 17 -0.178 5.568 0.879 113 HD1 HIS 17 HD1 HIS 17 1.633 5.785 2.424 114 HD2 HIS 17 HD2 HIS 17 -1.809 7.586 3.964 115 HE1 HIS 17 HE1 HIS 17 2.265 6.655 4.766 116 H LYS 18 HN LYS 18 0.349 6.500 -1.175 117 HA LYS 18 HA LYS 18 2.360 8.286 -0.906 118 HB2 LYS 18 HB2 LYS 18 3.023 6.706 -2.357 119 HB3 LYS 18 HB3 LYS 18 1.406 6.450 -2.985 120 HG2 LYS 18 HG2 LYS 18 1.584 8.420 -4.434 121 HG3 LYS 18 HG3 LYS 18 3.107 8.883 -3.700 122 HD2 LYS 18 HD2 LYS 18 3.995 7.764 -5.505 123 HD3 LYS 18 HD3 LYS 18 3.775 6.363 -4.475 124 HE2 LYS 18 HE2 LYS 18 2.240 5.477 -5.896 125 HE3 LYS 18 HE3 LYS 18 1.275 6.939 -5.849 126 HZ1 LYS 18 HZ1 LYS 18 3.054 7.844 -7.468 127 HZ2 LYS 18 HZ2 LYS 18 3.470 6.289 -7.710 128 H ALA 19 HN ALA 19 -0.757 8.723 -2.615 129 HA ALA 19 HA ALA 19 -0.033 11.158 -3.847 130 HB1 ALA 19 HB1 ALA 19 -2.388 11.306 -4.371 131 HB2 ALA 19 HB2 ALA 19 -1.902 9.599 -4.515 132 HB3 ALA 19 HB3 ALA 19 -2.800 10.150 -3.080 133 H HIS 20 HN HIS 20 -1.438 10.212 -0.764 134 HA HIS 20 HA HIS 20 -1.891 13.002 0.078 135 HB2 HIS 20 HB2 HIS 20 -2.386 10.232 1.250 136 HB3 HIS 20 HB3 HIS 20 -2.504 11.722 2.282 137 HD1 HIS 20 HD1 HIS 20 -4.040 10.197 -0.813 138 HD2 HIS 20 HD2 HIS 20 -4.932 12.996 2.160 139 HE1 HIS 20 HE1 HIS 20 -6.503 10.863 -1.170 140 H GLN 21 HN GLN 21 0.885 12.039 -0.637 141 HA GLN 21 HA GLN 21 2.119 12.234 1.987 142 HB2 GLN 21 HB2 GLN 21 2.664 10.509 -0.070 143 HB3 GLN 21 HB3 GLN 21 3.813 11.781 -0.430 144 HG2 GLN 21 HG2 GLN 21 3.542 10.514 2.333 145 HG3 GLN 21 HG3 GLN 21 4.672 9.941 1.123 146 HE21 GLN 21 HE2 GLN 21 7.124 12.281 1.785 147 H LYS 22 HN LYS 22 2.057 13.703 -1.309 148 HA LYS 22 HA LYS 22 3.489 16.003 -0.176 149 HB2 LYS 22 HB2 LYS 22 4.513 16.376 -2.224 150 HB3 LYS 22 HB3 LYS 22 4.532 14.628 -2.094 151 HG2 LYS 22 HG2 LYS 22 2.170 14.834 -3.346 152 HG3 LYS 22 HG3 LYS 22 2.814 16.384 -3.855 153 HD2 LYS 22 HD2 LYS 22 3.453 14.823 -5.564 154 HD3 LYS 22 HD3 LYS 22 4.912 15.146 -4.649 155 HE2 LYS 22 HE2 LYS 22 5.092 12.874 -4.484 156 HE3 LYS 22 HE3 LYS 22 3.870 13.009 -3.235 157 HZ1 LYS 22 HZ1 LYS 22 3.530 11.521 -5.411 158 HZ2 LYS 22 HZ2 LYS 22 2.271 12.194 -4.628 159 H ALA 23 HN ALA 23 0.732 15.613 0.372 160 HA ALA 23 HA ALA 23 -0.336 17.888 -1.121 161 HB1 ALA 23 HB1 ALA 23 -2.419 15.959 -0.527 162 HB2 ALA 23 HB2 ALA 23 -1.966 16.681 -2.089 163 HB3 ALA 23 HB3 ALA 23 -1.148 15.207 -1.520 164 H VAL 24 HN VAL 24 0.872 17.055 1.664 165 HA VAL 24 HA VAL 24 -1.174 18.487 3.163 166 HB VAL 24 HB VAL 24 0.042 16.274 4.654 167 HG13 VAL 24 HG1 VAL 24 -1.627 17.388 5.812 168 HG21 VAL 24 HG2 VAL 24 -0.179 14.924 2.750 169 HA PRO 25 HA PRO 25 2.768 20.726 3.405 170 HB2 PRO 25 HB2 PRO 25 0.828 22.158 5.268 171 HB3 PRO 25 HB3 PRO 25 2.039 22.817 4.120 172 HG2 PRO 25 HG2 PRO 25 -0.562 22.640 3.390 173 HG3 PRO 25 HG3 PRO 25 0.747 22.397 2.187 174 HD2 PRO 25 HD2 PRO 25 -1.117 20.419 3.469 175 HD3 PRO 25 HD3 PRO 25 -0.199 20.283 1.939 176 H ASP 26 HN ASP 26 0.643 19.341 5.965 177 HA ASP 26 HA ASP 26 3.079 19.002 7.517 178 HB2 ASP 26 HB2 ASP 26 1.870 20.784 8.632 179 HB3 ASP 26 HB3 ASP 26 0.344 19.938 8.474 180 HD2 ASP 26 HD2 ASP 26 2.708 19.470 11.544 181 H CYS 27 HN CYS 27 3.258 16.752 7.037 182 HA CYS 27 HA CYS 27 1.185 15.010 6.663 183 HB2 CYS 27 HB2 CYS 27 4.053 14.819 7.226 184 HB3 CYS 27 HB3 CYS 27 3.144 13.441 7.813 185 H LYS 28 HN LYS 28 2.464 16.487 9.598 186 HA LYS 28 HA LYS 28 1.575 14.577 11.448 187 HB2 LYS 28 HB2 LYS 28 2.271 17.509 11.613 188 HB3 LYS 28 HB3 LYS 28 1.672 16.637 13.009 189 HG2 LYS 28 HG2 LYS 28 3.737 15.062 11.681 190 HG3 LYS 28 HG3 LYS 28 4.340 16.675 12.001 191 HD2 LYS 28 HD2 LYS 28 3.279 16.314 14.404 192 HD3 LYS 28 HD3 LYS 28 3.320 14.614 13.978 193 HE2 LYS 28 HE2 LYS 28 5.628 14.500 14.066 194 HE3 LYS 28 HE3 LYS 28 5.844 16.114 13.419 195 HZ1 LYS 28 HZ1 LYS 28 5.213 15.377 16.212 196 HZ2 LYS 28 HZ2 LYS 28 6.465 16.267 15.672 197 H LYS 29 HN LYS 29 -0.119 16.729 9.347 198 HA LYS 29 HA LYS 29 -2.258 17.610 10.707 199 HB2 LYS 29 HB2 LYS 29 -1.767 17.872 8.261 200 HB3 LYS 29 HB3 LYS 29 -2.396 16.259 7.996 201 HG2 LYS 29 HG2 LYS 29 -4.583 16.912 8.293 202 HG3 LYS 29 HG3 LYS 29 -4.190 18.006 9.605 203 HD2 LYS 29 HD2 LYS 29 -3.599 18.588 6.664 204 HD3 LYS 29 HD3 LYS 29 -5.026 19.160 7.506 205 HE2 LYS 29 HE2 LYS 29 -2.296 19.729 8.690 206 HE3 LYS 29 HE3 LYS 29 -2.856 20.694 7.339 207 HZ1 LYS 29 HZ1 LYS 29 -4.229 20.386 9.951 208 HZ2 LYS 29 HZ2 LYS 29 -3.567 21.749 9.355 209 H CYS 30 HN CYS 30 -2.002 14.282 9.264 210 HA CYS 30 HA CYS 30 -4.240 13.504 10.942 211 HB2 CYS 30 HB2 CYS 30 -2.996 11.508 9.134 212 HB3 CYS 30 HB3 CYS 30 -4.685 11.854 9.441 213 H HIS 31 HN HIS 31 -0.805 13.137 10.412 214 HA HIS 31 HA HIS 31 -0.576 11.125 12.606 215 HB2 HIS 31 HB2 HIS 31 1.458 12.094 10.521 216 HB3 HIS 31 HB3 HIS 31 1.718 10.781 11.748 217 HD1 HIS 31 HD1 HIS 31 -0.957 9.313 11.326 218 HD2 HIS 31 HD2 HIS 31 1.566 10.560 8.236 219 HE1 HIS 31 HE1 HIS 31 -1.474 7.786 9.315 220 H GLU 32 HN GLU 32 -1.384 13.421 13.716 221 HA GLU 32 HA GLU 32 0.497 15.361 14.180 222 HB2 GLU 32 HB2 GLU 32 -1.693 14.361 16.055 223 HB3 GLU 32 HB3 GLU 32 -0.867 15.900 16.202 224 HG2 GLU 32 HG2 GLU 32 -1.781 16.706 14.112 225 HG3 GLU 32 HG3 GLU 32 -2.330 15.108 13.650 226 HE2 GLU 32 HE2 GLU 32 -3.227 17.879 15.444 227 H LYS 33 HN LYS 33 0.008 12.157 15.700 228 HA LYS 33 HA LYS 33 2.034 12.712 17.689 229 HB2 LYS 33 HB2 LYS 33 -0.074 10.698 17.253 230 HB3 LYS 33 HB3 LYS 33 1.414 10.044 17.906 231 HG2 LYS 33 HG2 LYS 33 -0.096 12.438 19.059 232 HG3 LYS 33 HG3 LYS 33 -0.165 10.807 19.698 233 HD2 LYS 33 HD2 LYS 33 2.609 11.780 19.351 234 HD3 LYS 33 HD3 LYS 33 1.673 12.782 20.443 235 HE2 LYS 33 HE2 LYS 33 0.923 10.365 21.406 236 HE3 LYS 33 HE3 LYS 33 2.465 9.890 20.723 237 HZ1 LYS 33 HZ1 LYS 33 3.518 10.921 22.404 238 HZ2 LYS 33 HZ2 LYS 33 2.726 12.326 22.174 239 H GLY 34 HN GLY 34 1.549 10.061 15.246 240 HA2 GLY 34 HA1 GLY 34 4.061 10.455 14.012 241 HA3 GLY 34 HA2 GLY 34 4.200 9.210 15.236 242 HA PRO 35 HA PRO 35 2.490 7.653 11.049 243 HB2 PRO 35 HB2 PRO 35 4.631 5.968 10.546 244 HB3 PRO 35 HB3 PRO 35 4.560 7.679 10.012 245 HG2 PRO 35 HG2 PRO 35 5.956 6.643 12.674 246 HG3 PRO 35 HG3 PRO 35 6.632 7.648 11.351 247 HD2 PRO 35 HD2 PRO 35 5.519 8.820 13.513 248 HD3 PRO 35 HD3 PRO 35 5.139 9.453 11.883 249 H GLY 36 HN GLY 36 2.456 5.034 10.571 250 HA2 GLY 36 HA1 GLY 36 2.358 2.899 11.522 251 HA3 GLY 36 HA2 GLY 36 2.350 3.599 13.129 252 H LYS 37 HN LYS 37 0.469 1.636 12.441 253 HA LYS 37 HA LYS 37 -1.896 2.437 11.350 254 HB2 LYS 37 HB2 LYS 37 -2.923 0.693 12.816 255 HB3 LYS 37 HB3 LYS 37 -1.522 0.151 11.915 256 HG2 LYS 37 HG2 LYS 37 -1.035 1.284 14.663 257 HG3 LYS 37 HG3 LYS 37 -1.795 -0.294 14.570 258 HD2 LYS 37 HD2 LYS 37 0.363 -0.315 12.683 259 HD3 LYS 37 HD3 LYS 37 0.993 0.405 14.151 260 HE2 LYS 37 HE2 LYS 37 0.929 -1.577 15.283 261 HE3 LYS 37 HE3 LYS 37 -0.695 -1.938 14.733 262 HZ1 LYS 37 HZ1 LYS 37 1.702 -2.281 13.013 263 HZ2 LYS 37 HZ2 LYS 37 1.040 -3.494 13.875 264 H ILE 38 HN ILE 38 -2.850 4.386 11.704 265 HA ILE 38 HA ILE 38 -2.646 6.034 13.787 266 HB ILE 38 HB ILE 38 -4.717 5.476 11.771 267 HG12 ILE 38 HG1 ILE 38 -2.637 7.207 11.981 268 HG23 ILE 38 HG2 ILE 38 -6.318 5.644 13.444 269 HD11 ILE 38 HD1 ILE 38 -5.018 9.025 12.312 270 H GLU 39 HN GLU 39 -3.433 6.305 15.871 271 HA GLU 39 HA GLU 39 -3.837 4.161 17.408 272 HB2 GLU 39 HB2 GLU 39 -4.419 7.058 17.638 273 HB3 GLU 39 HB3 GLU 39 -5.380 6.064 18.714 274 HG2 GLU 39 HG2 GLU 39 -2.495 5.318 18.583 275 HG3 GLU 39 HG3 GLU 39 -2.805 6.910 19.247 276 HE2 GLU 39 HE2 GLU 39 -1.967 5.197 21.195 277 H GLY 40 HN GLY 40 -5.250 2.504 16.919 278 HA2 GLY 40 HA1 GLY 40 -7.176 1.529 16.154 279 HA3 GLY 40 HA2 GLY 40 -7.784 2.320 17.593 280 H PHE 41 HN PHE 41 -7.567 2.440 14.050 281 HA PHE 41 HA PHE 41 -8.775 4.942 13.697 282 HB2 PHE 41 HB2 PHE 41 -7.509 3.620 11.970 283 HB3 PHE 41 HB3 PHE 41 -8.708 2.345 12.047 284 HD1 PHE 41 HD1 PHE 41 -11.143 3.022 11.415 285 HD2 PHE 41 HD2 PHE 41 -7.713 5.292 10.371 286 HE1 PHE 41 HE1 PHE 41 -12.437 4.128 9.570 287 HE2 PHE 41 HE2 PHE 41 -9.007 6.398 8.526 288 HZ PHE 41 HZ PHE 41 -11.353 5.803 8.147 289 H GLY 42 HN GLY 42 -10.974 5.340 12.757 290 HA2 GLY 42 HA1 GLY 42 -12.976 3.333 13.526 291 HA3 GLY 42 HA2 GLY 42 -13.067 4.932 14.237 292 H LYS 43 HN LYS 43 -15.094 3.757 12.533 293 HA LYS 43 HA LYS 43 -14.793 4.794 9.901 294 HB2 LYS 43 HB2 LYS 43 -17.159 3.681 11.430 295 HB3 LYS 43 HB3 LYS 43 -17.246 4.197 9.758 296 HG2 LYS 43 HG2 LYS 43 -16.761 1.922 9.497 297 HG3 LYS 43 HG3 LYS 43 -15.155 2.616 9.417 298 HD2 LYS 43 HD2 LYS 43 -15.959 2.072 12.197 299 HD3 LYS 43 HD3 LYS 43 -16.033 0.625 11.210 300 HE2 LYS 43 HE2 LYS 43 -13.652 1.386 10.346 301 HE3 LYS 43 HE3 LYS 43 -13.635 2.398 11.777 302 HZ1 LYS 43 HZ1 LYS 43 -13.803 0.496 13.164 303 HZ2 LYS 43 HZ2 LYS 43 -14.227 -0.500 11.947 304 H GLU 44 HN GLU 44 -16.861 5.731 12.742 305 HA GLU 44 HA GLU 44 -18.037 7.895 11.743 306 HB2 GLU 44 HB2 GLU 44 -18.374 7.032 14.040 307 HB3 GLU 44 HB3 GLU 44 -16.802 7.639 14.520 308 HG2 GLU 44 HG2 GLU 44 -18.841 9.116 15.100 309 HG3 GLU 44 HG3 GLU 44 -17.480 9.916 14.340 310 HE2 GLU 44 HE2 GLU 44 -20.766 9.177 12.141 311 H MET 45 HN MET 45 -14.623 7.625 12.807 312 HA MET 45 HA MET 45 -14.093 10.366 12.683 313 HB2 MET 45 HB2 MET 45 -12.731 7.921 13.313 314 HB3 MET 45 HB3 MET 45 -11.778 8.675 12.050 315 HG2 MET 45 HG2 MET 45 -10.840 9.833 13.804 316 HG3 MET 45 HG3 MET 45 -12.242 10.867 13.616 317 HE1 MET 45 HE1 MET 45 -10.350 9.870 16.471 318 HE2 MET 45 HE2 MET 45 -11.219 11.362 16.036 319 HE3 MET 45 HE3 MET 45 -11.690 10.449 17.490 320 H ALA 46 HN ALA 46 -13.955 7.699 10.285 321 HA ALA 46 HA ALA 46 -12.466 8.857 8.313 322 HB1 ALA 46 HB1 ALA 46 -13.453 6.533 8.394 323 HB2 ALA 46 HB2 ALA 46 -15.014 7.241 7.913 324 HB3 ALA 46 HB3 ALA 46 -13.615 7.344 6.817 325 H HIS 47 HN HIS 47 -16.030 8.922 8.507 326 HA HIS 47 HA HIS 47 -16.331 11.010 6.549 327 HB2 HIS 47 HB2 HIS 47 -18.353 10.228 8.706 328 HB3 HIS 47 HB3 HIS 47 -18.656 10.880 7.039 329 HD1 HIS 47 HD1 HIS 47 -18.980 7.931 8.854 330 HD2 HIS 47 HD2 HIS 47 -17.508 8.782 5.036 331 HE1 HIS 47 HE1 HIS 47 -19.101 5.723 7.529 332 H GLY 48 HN GLY 48 -15.190 11.088 9.789 333 HA2 GLY 48 HA1 GLY 48 -16.284 13.630 10.546 334 HA3 GLY 48 HA2 GLY 48 -15.007 12.730 11.340 335 H LYS 49 HN LYS 49 -13.246 14.059 11.505 336 HA LYS 49 HA LYS 49 -12.547 15.612 9.115 337 HB2 LYS 49 HB2 LYS 49 -12.792 16.330 11.888 338 HB3 LYS 49 HB3 LYS 49 -11.124 16.538 11.395 339 HG2 LYS 49 HG2 LYS 49 -12.325 17.629 9.217 340 HG3 LYS 49 HG3 LYS 49 -13.593 17.929 10.389 341 HD2 LYS 49 HD2 LYS 49 -10.947 18.591 11.488 342 HD3 LYS 49 HD3 LYS 49 -11.254 19.468 10.002 343 HE2 LYS 49 HE2 LYS 49 -12.723 20.849 11.047 344 HE3 LYS 49 HE3 LYS 49 -13.666 19.491 11.627 345 HZ1 LYS 49 HZ1 LYS 49 -11.614 19.345 13.298 346 HZ2 LYS 49 HZ2 LYS 49 -11.540 20.944 13.000 347 H GLY 50 HN GLY 50 -11.957 12.918 9.001 348 HA2 GLY 50 HA1 GLY 50 -9.040 13.010 9.064 349 HA3 GLY 50 HA2 GLY 50 -9.810 11.769 10.032 350 H CYS 51 HN CYS 51 -11.117 13.060 6.942 351 HA CYS 51 HA CYS 51 -10.022 11.233 5.217 352 HB2 CYS 51 HB2 CYS 51 -11.557 9.799 6.942 353 HB3 CYS 51 HB3 CYS 51 -12.736 10.166 5.699 354 H LYS 52 HN LYS 52 -13.338 12.420 6.162 355 HA LYS 52 HA LYS 52 -13.606 13.509 3.462 356 HB2 LYS 52 HB2 LYS 52 -15.369 11.986 4.244 357 HB3 LYS 52 HB3 LYS 52 -15.679 13.021 5.624 358 HG2 LYS 52 HG2 LYS 52 -15.711 14.553 3.115 359 HG3 LYS 52 HG3 LYS 52 -16.854 13.225 3.061 360 HD2 LYS 52 HD2 LYS 52 -16.918 14.631 5.654 361 HD3 LYS 52 HD3 LYS 52 -17.253 15.710 4.315 362 HE2 LYS 52 HE2 LYS 52 -19.391 14.841 4.880 363 HE3 LYS 52 HE3 LYS 52 -18.922 13.900 3.478 364 HZ1 LYS 52 HZ1 LYS 52 -17.972 12.273 5.232 365 HZ2 LYS 52 HZ2 LYS 52 -18.924 13.049 6.302 366 H GLY 53 HN GLY 53 -14.454 14.478 6.868 367 HA2 GLY 53 HA1 GLY 53 -14.973 17.041 6.732 368 HA3 GLY 53 HA2 GLY 53 -13.855 16.423 7.931 369 H CYS 54 HN CYS 54 -11.547 15.817 6.577 370 HA CYS 54 HA CYS 54 -10.235 18.146 6.357 371 HB2 CYS 54 HB2 CYS 54 -9.604 15.474 5.968 372 HB3 CYS 54 HB3 CYS 54 -9.246 16.185 4.407 373 H HIS 55 HN HIS 55 -11.288 16.184 3.559 374 HA HIS 55 HA HIS 55 -10.837 17.960 1.482 375 HB2 HIS 55 HB2 HIS 55 -13.240 16.075 1.771 376 HB3 HIS 55 HB3 HIS 55 -12.521 16.708 0.228 377 HD1 HIS 55 HD1 HIS 55 -12.851 13.691 1.459 378 HD2 HIS 55 HD2 HIS 55 -9.347 15.888 0.857 379 HE1 HIS 55 HE1 HIS 55 -10.948 11.966 1.248 380 H GLU 56 HN GLU 56 -13.764 17.828 3.647 381 HA GLU 56 HA GLU 56 -15.123 19.839 2.306 382 HB2 GLU 56 HB2 GLU 56 -16.310 18.391 3.829 383 HB3 GLU 56 HB3 GLU 56 -15.259 18.812 5.166 384 HG2 GLU 56 HG2 GLU 56 -16.528 20.620 5.689 385 HG3 GLU 56 HG3 GLU 56 -16.423 21.238 4.053 386 HE2 GLU 56 HE2 GLU 56 -18.615 21.791 4.402 387 H GLU 57 HN GLU 57 -12.492 19.881 4.678 388 HA GLU 57 HA GLU 57 -12.881 22.685 5.178 389 HB2 GLU 57 HB2 GLU 57 -11.161 20.499 6.299 390 HB3 GLU 57 HB3 GLU 57 -10.531 22.131 6.415 391 HG2 GLU 57 HG2 GLU 57 -13.268 22.334 7.161 392 HG3 GLU 57 HG3 GLU 57 -12.687 20.876 7.941 393 HE2 GLU 57 HE2 GLU 57 -12.000 23.912 9.933 394 H MET 58 HN MET 58 -10.231 20.549 3.884 395 HA MET 58 HA MET 58 -8.632 22.617 3.026 396 HB2 MET 58 HB2 MET 58 -8.593 19.809 3.032 397 HB3 MET 58 HB3 MET 58 -8.626 20.174 1.318 398 HG2 MET 58 HG2 MET 58 -6.545 21.249 1.355 399 HG3 MET 58 HG3 MET 58 -6.708 21.751 3.026 400 HE1 MET 58 HE1 MET 58 -4.085 20.861 2.264 401 HE2 MET 58 HE2 MET 58 -3.627 19.149 2.427 402 HE3 MET 58 HE3 MET 58 -4.499 19.703 0.977 403 H LYS 59 HN LYS 59 -11.664 21.472 1.771 404 HA LYS 59 HA LYS 59 -12.900 22.125 0.061 405 HB2 LYS 59 HB2 LYS 59 -11.030 24.333 0.390 406 HB3 LYS 59 HB3 LYS 59 -11.527 24.162 -1.281 407 HG2 LYS 59 HG2 LYS 59 -13.689 24.786 -0.840 408 HG3 LYS 59 HG3 LYS 59 -13.766 23.841 0.634 409 HD2 LYS 59 HD2 LYS 59 -11.936 25.898 1.248 410 HD3 LYS 59 HD3 LYS 59 -13.158 26.700 0.282 411 HE2 LYS 59 HE2 LYS 59 -14.337 24.848 2.260 412 HE3 LYS 59 HE3 LYS 59 -13.354 26.087 3.014 413 HZ1 LYS 59 HZ1 LYS 59 -15.568 26.940 2.738 414 HZ2 LYS 59 HZ2 LYS 59 -14.638 27.745 1.671 415 H LYS 60 HN LYS 60 -10.295 20.327 -0.059 416 HA LYS 60 HA LYS 60 -10.484 19.990 -2.962 417 HB2 LYS 60 HB2 LYS 60 -7.977 19.356 -2.807 418 HB3 LYS 60 HB3 LYS 60 -8.428 21.047 -2.886 419 HG2 LYS 60 HG2 LYS 60 -8.326 21.145 -0.355 420 HG3 LYS 60 HG3 LYS 60 -7.752 19.489 -0.348 421 HD2 LYS 60 HD2 LYS 60 -5.712 20.612 -0.322 422 HD3 LYS 60 HD3 LYS 60 -5.925 20.422 -2.051 423 HE2 LYS 60 HE2 LYS 60 -7.189 22.865 -0.875 424 HE3 LYS 60 HE3 LYS 60 -5.438 22.832 -0.821 425 HZ1 LYS 60 HZ1 LYS 60 -5.317 23.019 -3.069 426 HZ2 LYS 60 HZ2 LYS 60 -6.567 22.018 -3.364 427 H GLY 61 HN GLY 61 -10.901 17.915 -3.570 428 HA2 GLY 61 HA1 GLY 61 -10.284 15.564 -3.159 429 HA3 GLY 61 HA2 GLY 61 -10.633 15.850 -1.466 430 HA PRO 62 HA PRO 62 -14.583 14.657 -3.667 431 HB2 PRO 62 HB2 PRO 62 -14.494 11.923 -3.689 432 HB3 PRO 62 HB3 PRO 62 -13.692 12.917 -4.948 433 HG2 PRO 62 HG2 PRO 62 -12.138 11.360 -2.706 434 HG3 PRO 62 HG3 PRO 62 -12.046 12.011 -4.374 435 HD2 PRO 62 HD2 PRO 62 -11.339 13.280 -1.748 436 HD3 PRO 62 HD3 PRO 62 -10.805 13.721 -3.398 437 H THR 63 HN THR 63 -16.492 14.268 -2.442 438 HA THR 63 HA THR 63 -15.997 13.244 0.279 439 HB THR 63 HB THR 63 -17.727 14.874 1.008 440 HG1 THR 63 HG1 THR 63 -18.897 14.833 -1.056 441 HG21 THR 63 HG2 THR 63 -15.218 15.637 0.454 442 H LYS 64 HN LYS 64 -17.705 12.930 -2.728 443 HA LYS 64 HA LYS 64 -20.051 11.743 -1.825 444 HB2 LYS 64 HB2 LYS 64 -18.472 11.488 -4.391 445 HB3 LYS 64 HB3 LYS 64 -19.998 10.665 -4.144 446 HG2 LYS 64 HG2 LYS 64 -19.884 13.609 -3.505 447 HG3 LYS 64 HG3 LYS 64 -19.866 13.146 -5.195 448 HD2 LYS 64 HD2 LYS 64 -22.098 12.761 -5.146 449 HD3 LYS 64 HD3 LYS 64 -21.889 11.563 -3.884 450 HE2 LYS 64 HE2 LYS 64 -23.007 12.978 -2.500 451 HE3 LYS 64 HE3 LYS 64 -21.576 13.990 -2.510 452 HZ1 LYS 64 HZ1 LYS 64 -22.637 14.883 -4.714 453 HZ2 LYS 64 HZ2 LYS 64 -24.028 14.300 -4.100 454 H CYS 65 HN CYS 65 -20.676 9.459 -1.771 455 HA CYS 65 HA CYS 65 -18.789 7.955 -0.319 456 HB2 CYS 65 HB2 CYS 65 -21.110 6.537 -1.468 457 HB3 CYS 65 HB3 CYS 65 -20.502 6.573 0.175 458 H GLY 66 HN GLY 66 -20.415 7.441 -3.544 459 HA2 GLY 66 HA1 GLY 66 -19.122 5.238 -4.441 460 HA3 GLY 66 HA2 GLY 66 -19.605 6.574 -5.466 461 H GLU 67 HN GLU 67 -17.729 8.436 -3.846 462 HA GLU 67 HA GLU 67 -15.519 8.053 -5.561 463 HB2 GLU 67 HB2 GLU 67 -16.052 10.000 -3.280 464 HB3 GLU 67 HB3 GLU 67 -14.594 10.049 -4.251 465 HG2 GLU 67 HG2 GLU 67 -17.361 10.109 -5.523 466 HG3 GLU 67 HG3 GLU 67 -16.570 11.574 -4.977 467 HE2 GLU 67 HE2 GLU 67 -14.890 11.809 -7.914 468 H CYS 68 HN CYS 68 -16.250 7.448 -2.105 469 HA CYS 68 HA CYS 68 -13.511 6.565 -1.696 470 HB2 CYS 68 HB2 CYS 68 -15.757 7.378 0.102 471 HB3 CYS 68 HB3 CYS 68 -14.616 6.198 0.717 472 H HIS 69 HN HIS 69 -16.903 5.523 -1.376 473 HA HIS 69 HA HIS 69 -16.116 2.684 -1.101 474 HB2 HIS 69 HB2 HIS 69 -18.829 4.120 -1.066 475 HB3 HIS 69 HB3 HIS 69 -18.576 2.343 -0.783 476 HD1 HIS 69 HD1 HIS 69 -17.065 1.801 1.347 477 HD2 HIS 69 HD2 HIS 69 -18.726 5.633 1.209 478 HE1 HIS 69 HE1 HIS 69 -16.982 2.707 3.759 479 H LYS 70 HN LYS 70 -16.247 1.144 -2.696 480 HA LYS 70 HA LYS 70 -17.348 2.049 -5.266 481 HB2 LYS 70 HB2 LYS 70 -14.771 1.864 -5.011 482 HB3 LYS 70 HB3 LYS 70 -15.033 0.132 -5.033 483 HG2 LYS 70 HG2 LYS 70 -16.176 1.976 -7.176 484 HG3 LYS 70 HG3 LYS 70 -14.579 1.265 -7.311 485 HD2 LYS 70 HD2 LYS 70 -15.753 -1.025 -6.897 486 HD3 LYS 70 HD3 LYS 70 -17.257 -0.178 -7.196 487 HE2 LYS 70 HE2 LYS 70 -15.704 0.670 -9.338 488 HE3 LYS 70 HE3 LYS 70 -15.121 -0.966 -9.108 489 HZ1 LYS 70 HZ1 LYS 70 -17.603 -1.581 -9.048 490 HZ2 LYS 70 HZ2 LYS 70 -17.888 -0.112 -9.693 491 H LYS 71 HN LYS 71 -19.009 0.845 -6.014 492 HA LYS 71 HA LYS 71 -19.168 -1.924 -5.066 493 HB2 LYS 71 HB2 LYS 71 -21.017 0.270 -4.512 494 HB3 LYS 71 HB3 LYS 71 -21.812 -1.076 -5.302 495 HG2 LYS 71 HG2 LYS 71 -20.393 -2.518 -3.536 496 HG3 LYS 71 HG3 LYS 71 -20.381 -1.011 -2.644 497 HD2 LYS 71 HD2 LYS 71 -22.994 -2.056 -3.768 498 HD3 LYS 71 HD3 LYS 71 -22.357 -2.744 -2.288 499 HE2 LYS 71 HE2 LYS 71 -23.279 -1.002 -1.161 500 HE3 LYS 71 HE3 LYS 71 -22.095 0.047 -1.917 501 HZ1 LYS 71 HZ1 LYS 71 -24.794 0.181 -2.308 502 HZ2 LYS 71 HZ2 LYS 71 -23.680 0.908 -3.248 Start of MODEL 14 1 H1 ALA 1 HN ALA 1 3.008 0.313 1.350 2 HA ALA 1 HA ALA 1 4.501 1.116 -0.083 3 HB1 ALA 1 HB1 ALA 1 2.831 0.227 -2.412 4 HB2 ALA 1 HB2 ALA 1 4.557 -0.053 -2.072 5 HB3 ALA 1 HB3 ALA 1 3.316 -0.997 -1.214 6 H ASP 2 HN ASP 2 1.355 1.639 -1.840 7 HA ASP 2 HA ASP 2 1.920 4.473 -1.706 8 HB2 ASP 2 HB2 ASP 2 1.554 2.807 -4.213 9 HB3 ASP 2 HB3 ASP 2 1.017 4.475 -4.207 10 HD2 ASP 2 HD2 ASP 2 4.266 3.926 -2.613 11 H ASP 3 HN ASP 3 -0.269 1.775 -2.755 12 HA ASP 3 HA ASP 3 -2.536 3.511 -2.254 13 HB2 ASP 3 HB2 ASP 3 -2.518 0.695 -3.429 14 HB3 ASP 3 HB3 ASP 3 -3.855 1.830 -3.458 15 HD2 ASP 3 HD2 ASP 3 -3.302 1.948 -6.431 16 H ILE 4 HN ILE 4 -4.041 2.992 -0.576 17 HA ILE 4 HA ILE 4 -3.429 0.566 0.962 18 HB ILE 4 HB ILE 4 -4.043 3.332 2.006 19 HG12 ILE 4 HG1 ILE 4 -1.568 1.684 1.764 20 HG23 ILE 4 HG2 ILE 4 -3.977 2.400 4.230 21 HD11 ILE 4 HD1 ILE 4 -2.149 3.601 4.070 22 H VAL 5 HN VAL 5 -5.102 -0.818 0.806 23 HA VAL 5 HA VAL 5 -7.717 0.271 0.159 24 HB VAL 5 HB VAL 5 -6.511 -2.493 0.200 25 HG13 VAL 5 HG1 VAL 5 -9.364 -1.678 0.235 26 HG21 VAL 5 HG2 VAL 5 -7.259 -0.492 -1.896 27 H LEU 6 HN LEU 6 -9.387 0.432 1.594 28 HA LEU 6 HA LEU 6 -8.841 -0.595 4.286 29 HB2 LEU 6 HB2 LEU 6 -10.667 1.645 3.404 30 HB3 LEU 6 HB3 LEU 6 -10.402 1.122 5.055 31 HG LEU 6 HG LEU 6 -8.165 2.155 3.305 32 HD13 LEU 6 HD1 LEU 6 -9.467 3.893 5.363 33 HD21 LEU 6 HD2 LEU 6 -8.073 0.825 5.704 34 H LYS 7 HN LYS 7 -9.544 -2.755 3.836 35 HA LYS 7 HA LYS 7 -11.734 -3.580 2.529 36 HB2 LYS 7 HB2 LYS 7 -10.404 -4.581 5.038 37 HB3 LYS 7 HB3 LYS 7 -11.823 -5.391 4.407 38 HG2 LYS 7 HG2 LYS 7 -10.368 -5.126 2.096 39 HG3 LYS 7 HG3 LYS 7 -9.064 -5.224 3.262 40 HD2 LYS 7 HD2 LYS 7 -11.332 -7.218 3.445 41 HD3 LYS 7 HD3 LYS 7 -10.116 -7.437 2.203 42 HE2 LYS 7 HE2 LYS 7 -8.535 -8.115 3.708 43 HE3 LYS 7 HE3 LYS 7 -8.910 -6.816 4.822 44 HZ1 LYS 7 HZ1 LYS 7 -10.813 -8.103 5.614 45 HZ2 LYS 7 HZ2 LYS 7 -10.524 -9.297 4.545 46 H ALA 8 HN ALA 8 -13.829 -2.988 2.535 47 HA ALA 8 HA ALA 8 -14.928 -2.064 5.103 48 HB1 ALA 8 HB1 ALA 8 -14.760 -0.784 2.559 49 HB2 ALA 8 HB2 ALA 8 -16.470 -1.200 2.827 50 HB3 ALA 8 HB3 ALA 8 -15.596 -0.213 4.023 51 H LYS 9 HN LYS 9 -17.293 -2.524 5.389 52 HA LYS 9 HA LYS 9 -17.832 -5.201 4.375 53 HB2 LYS 9 HB2 LYS 9 -18.248 -3.822 6.868 54 HB3 LYS 9 HB3 LYS 9 -19.794 -4.370 6.252 55 HG2 LYS 9 HG2 LYS 9 -18.454 -6.630 5.763 56 HG3 LYS 9 HG3 LYS 9 -17.354 -6.005 6.975 57 HD2 LYS 9 HD2 LYS 9 -20.348 -6.117 7.496 58 HD3 LYS 9 HD3 LYS 9 -19.338 -7.525 7.758 59 HE2 LYS 9 HE2 LYS 9 -17.821 -5.822 9.139 60 HE3 LYS 9 HE3 LYS 9 -19.287 -4.865 9.204 61 HZ1 LYS 9 HZ1 LYS 9 -19.654 -7.669 9.849 62 HZ2 LYS 9 HZ2 LYS 9 -18.741 -6.851 10.921 63 H ASN 10 HN ASN 10 -18.158 -2.318 3.050 64 HA ASN 10 HA ASN 10 -20.489 -3.103 1.645 65 HB2 ASN 10 HB2 ASN 10 -21.565 -1.935 3.557 66 HB3 ASN 10 HB3 ASN 10 -20.528 -0.541 3.325 67 HD21 ASN 10 HD2 ASN 10 -23.820 -1.249 0.964 68 H GLY 11 HN GLY 11 -18.081 -2.960 0.520 69 HA2 GLY 11 HA1 GLY 11 -17.394 -1.953 -1.483 70 HA3 GLY 11 HA2 GLY 11 -18.091 -0.429 -0.973 71 H ASP 12 HN ASP 12 -15.198 -1.841 -1.586 72 HA ASP 12 HA ASP 12 -13.751 -1.155 0.725 73 HB2 ASP 12 HB2 ASP 12 -11.851 -1.862 -0.483 74 HB3 ASP 12 HB3 ASP 12 -13.144 -2.803 -1.201 75 HD2 ASP 12 HD2 ASP 12 -10.555 -0.904 -2.846 76 H VAL 13 HN VAL 13 -11.775 0.488 0.443 77 HA VAL 13 HA VAL 13 -12.699 2.819 -1.087 78 HB VAL 13 HB VAL 13 -11.569 2.714 1.715 79 HG13 VAL 13 HG1 VAL 13 -11.201 4.735 -0.207 80 HG21 VAL 13 HG2 VAL 13 -13.967 2.163 1.539 81 H LYS 14 HN LYS 14 -11.203 3.629 -2.480 82 HA LYS 14 HA LYS 14 -8.558 2.422 -2.370 83 HB2 LYS 14 HB2 LYS 14 -10.342 3.438 -4.464 84 HB3 LYS 14 HB3 LYS 14 -8.691 3.997 -4.648 85 HG2 LYS 14 HG2 LYS 14 -9.629 1.104 -4.407 86 HG3 LYS 14 HG3 LYS 14 -8.922 1.865 -5.818 87 HD2 LYS 14 HD2 LYS 14 -7.082 2.275 -3.654 88 HD3 LYS 14 HD3 LYS 14 -7.579 0.596 -3.580 89 HE2 LYS 14 HE2 LYS 14 -5.912 0.325 -5.146 90 HE3 LYS 14 HE3 LYS 14 -7.178 0.788 -6.265 91 HZ1 LYS 14 HZ1 LYS 14 -4.885 2.338 -5.384 92 HZ2 LYS 14 HZ2 LYS 14 -5.667 2.383 -6.811 93 H PHE 15 HN PHE 15 -7.382 3.473 -0.788 94 HA PHE 15 HA PHE 15 -7.275 6.394 -1.044 95 HB2 PHE 15 HB2 PHE 15 -8.094 5.204 1.126 96 HB3 PHE 15 HB3 PHE 15 -6.475 4.553 1.284 97 HD1 PHE 15 HD2 PHE 15 -7.519 7.974 0.246 98 HD2 PHE 15 HD1 PHE 15 -5.622 5.577 3.190 99 HE1 PHE 15 HE2 PHE 15 -6.804 10.044 1.471 100 HE2 PHE 15 HE1 PHE 15 -4.909 7.648 4.416 101 HZ PHE 15 HZ PHE 15 -5.508 9.857 3.542 102 HA PRO 16 HA PRO 16 -3.105 5.430 -2.355 103 HB2 PRO 16 HB2 PRO 16 -2.752 7.724 -3.802 104 HB3 PRO 16 HB3 PRO 16 -3.785 6.377 -4.379 105 HG2 PRO 16 HG2 PRO 16 -4.891 9.111 -3.261 106 HG3 PRO 16 HG3 PRO 16 -5.113 7.774 -4.436 107 HD2 PRO 16 HD2 PRO 16 -6.104 8.057 -1.641 108 HD3 PRO 16 HD3 PRO 16 -6.595 6.878 -2.896 109 H HIS 17 HN HIS 17 -2.199 5.558 -0.267 110 HA HIS 17 HA HIS 17 -1.966 7.932 1.286 111 HB2 HIS 17 HB2 HIS 17 -1.710 5.534 2.029 112 HB3 HIS 17 HB3 HIS 17 -0.081 5.515 1.224 113 HD1 HIS 17 HD1 HIS 17 1.800 6.663 2.401 114 HD2 HIS 17 HD2 HIS 17 -1.820 6.995 4.465 115 HE1 HIS 17 HE1 HIS 17 2.391 7.538 4.752 116 H LYS 18 HN LYS 18 0.480 6.365 -0.947 117 HA LYS 18 HA LYS 18 2.482 8.171 -0.704 118 HB2 LYS 18 HB2 LYS 18 3.081 6.429 -2.038 119 HB3 LYS 18 HB3 LYS 18 1.526 6.347 -2.842 120 HG2 LYS 18 HG2 LYS 18 3.180 8.809 -3.340 121 HG3 LYS 18 HG3 LYS 18 3.753 7.315 -4.055 122 HD2 LYS 18 HD2 LYS 18 1.920 7.117 -5.480 123 HD3 LYS 18 HD3 LYS 18 0.826 7.916 -4.368 124 HE2 LYS 18 HE2 LYS 18 1.104 9.867 -5.488 125 HE3 LYS 18 HE3 LYS 18 2.811 9.856 -5.090 126 HZ1 LYS 18 HZ1 LYS 18 1.679 9.440 -7.601 127 HZ2 LYS 18 HZ2 LYS 18 3.261 9.361 -7.219 128 H ALA 19 HN ALA 19 -0.684 8.603 -2.235 129 HA ALA 19 HA ALA 19 0.073 10.983 -3.623 130 HB1 ALA 19 HB1 ALA 19 -2.709 10.006 -2.885 131 HB2 ALA 19 HB2 ALA 19 -2.249 11.077 -4.231 132 HB3 ALA 19 HB3 ALA 19 -1.778 9.361 -4.257 133 H HIS 20 HN HIS 20 -1.480 10.102 -0.579 134 HA HIS 20 HA HIS 20 -1.946 12.899 0.199 135 HB2 HIS 20 HB2 HIS 20 -2.471 10.146 1.380 136 HB3 HIS 20 HB3 HIS 20 -2.574 11.627 2.426 137 HD1 HIS 20 HD1 HIS 20 -4.094 10.196 -0.726 138 HD2 HIS 20 HD2 HIS 20 -5.000 12.896 2.333 139 HE1 HIS 20 HE1 HIS 20 -6.550 10.891 -1.085 140 H GLN 21 HN GLN 21 0.873 11.626 -0.337 141 HA GLN 21 HA GLN 21 1.984 12.281 2.276 142 HB2 GLN 21 HB2 GLN 21 3.574 10.672 1.956 143 HB3 GLN 21 HB3 GLN 21 2.423 10.029 0.803 144 HG2 GLN 21 HG2 GLN 21 4.296 10.144 -0.565 145 HG3 GLN 21 HG3 GLN 21 3.625 11.733 -0.874 146 HE21 GLN 21 HE2 GLN 21 6.963 12.741 -0.272 147 H LYS 22 HN LYS 22 1.319 13.608 -0.740 148 HA LYS 22 HA LYS 22 3.520 15.517 -0.414 149 HB2 LYS 22 HB2 LYS 22 3.865 13.834 -2.315 150 HB3 LYS 22 HB3 LYS 22 2.512 14.608 -3.117 151 HG2 LYS 22 HG2 LYS 22 3.894 16.242 -3.859 152 HG3 LYS 22 HG3 LYS 22 4.209 16.723 -2.202 153 HD2 LYS 22 HD2 LYS 22 6.370 16.215 -2.992 154 HD3 LYS 22 HD3 LYS 22 5.922 14.737 -2.164 155 HE2 LYS 22 HE2 LYS 22 5.515 13.565 -4.186 156 HE3 LYS 22 HE3 LYS 22 5.277 15.034 -5.111 157 HZ1 LYS 22 HZ1 LYS 22 7.649 15.504 -4.905 158 HZ2 LYS 22 HZ2 LYS 22 7.889 14.187 -3.978 159 H ALA 23 HN ALA 23 0.378 15.064 0.095 160 HA ALA 23 HA ALA 23 -0.432 17.592 -1.160 161 HB1 ALA 23 HB1 ALA 23 -2.743 16.484 -0.256 162 HB2 ALA 23 HB2 ALA 23 -2.068 16.166 -1.872 163 HB3 ALA 23 HB3 ALA 23 -1.786 15.012 -0.546 164 H VAL 24 HN VAL 24 0.955 16.467 1.611 165 HA VAL 24 HA VAL 24 -0.451 18.486 3.208 166 HB VAL 24 HB VAL 24 0.633 16.291 4.773 167 HG13 VAL 24 HG1 VAL 24 -1.268 16.613 6.055 168 HG21 VAL 24 HG2 VAL 24 -1.181 14.661 4.170 169 HA PRO 25 HA PRO 25 4.008 19.533 2.421 170 HB2 PRO 25 HB2 PRO 25 3.297 22.173 3.303 171 HB3 PRO 25 HB3 PRO 25 3.490 21.595 1.616 172 HG2 PRO 25 HG2 PRO 25 1.184 21.815 3.252 173 HG3 PRO 25 HG3 PRO 25 0.953 22.191 1.513 174 HD2 PRO 25 HD2 PRO 25 0.036 19.879 2.253 175 HD3 PRO 25 HD3 PRO 25 1.288 19.785 0.978 176 H ASP 26 HN ASP 26 1.720 19.832 5.164 177 HA ASP 26 HA ASP 26 4.076 19.852 6.884 178 HB2 ASP 26 HB2 ASP 26 2.139 20.790 8.548 179 HB3 ASP 26 HB3 ASP 26 3.176 21.839 7.600 180 HD2 ASP 26 HD2 ASP 26 -0.424 20.884 7.462 181 H CYS 27 HN CYS 27 3.759 17.396 6.519 182 HA CYS 27 HA CYS 27 1.579 15.944 7.063 183 HB2 CYS 27 HB2 CYS 27 3.904 15.169 6.405 184 HB3 CYS 27 HB3 CYS 27 4.308 15.188 8.111 185 H LYS 28 HN LYS 28 1.139 14.575 9.154 186 HA LYS 28 HA LYS 28 0.932 14.392 11.388 187 HB2 LYS 28 HB2 LYS 28 2.172 17.124 11.767 188 HB3 LYS 28 HB3 LYS 28 1.971 15.856 12.959 189 HG2 LYS 28 HG2 LYS 28 3.918 14.864 12.342 190 HG3 LYS 28 HG3 LYS 28 3.424 14.806 10.662 191 HD2 LYS 28 HD2 LYS 28 4.783 16.544 10.132 192 HD3 LYS 28 HD3 LYS 28 4.057 17.554 11.367 193 HE2 LYS 28 HE2 LYS 28 5.526 16.238 13.072 194 HE3 LYS 28 HE3 LYS 28 6.396 15.627 11.678 195 HZ1 LYS 28 HZ1 LYS 28 6.061 18.504 12.349 196 HZ2 LYS 28 HZ2 LYS 28 7.436 17.647 12.517 197 H LYS 29 HN LYS 29 -0.707 15.826 9.198 198 HA LYS 29 HA LYS 29 -2.261 17.692 10.750 199 HB2 LYS 29 HB2 LYS 29 -1.820 18.158 8.403 200 HB3 LYS 29 HB3 LYS 29 -2.548 16.639 7.921 201 HG2 LYS 29 HG2 LYS 29 -4.746 17.344 8.636 202 HG3 LYS 29 HG3 LYS 29 -4.102 18.714 9.520 203 HD2 LYS 29 HD2 LYS 29 -3.660 18.477 6.524 204 HD3 LYS 29 HD3 LYS 29 -5.170 19.111 7.147 205 HE2 LYS 29 HE2 LYS 29 -3.102 20.433 8.612 206 HE3 LYS 29 HE3 LYS 29 -2.579 20.432 6.939 207 HZ1 LYS 29 HZ1 LYS 29 -4.878 21.292 6.396 208 HZ2 LYS 29 HZ2 LYS 29 -5.136 21.505 7.989 209 H CYS 30 HN CYS 30 -2.325 14.280 9.758 210 HA CYS 30 HA CYS 30 -4.942 14.057 11.051 211 HB2 CYS 30 HB2 CYS 30 -4.147 11.686 9.580 212 HB3 CYS 30 HB3 CYS 30 -5.595 12.660 9.433 213 H HIS 31 HN HIS 31 -1.813 12.433 10.500 214 HA HIS 31 HA HIS 31 -1.970 10.456 12.510 215 HB2 HIS 31 HB2 HIS 31 0.303 11.914 11.096 216 HB3 HIS 31 HB3 HIS 31 0.639 10.693 12.398 217 HD1 HIS 31 HD1 HIS 31 -0.769 8.344 11.852 218 HD2 HIS 31 HD2 HIS 31 0.403 10.760 8.648 219 HE1 HIS 31 HE1 HIS 31 -0.748 6.821 9.773 220 H GLU 32 HN GLU 32 -0.154 13.637 12.752 221 HA GLU 32 HA GLU 32 -0.285 15.082 14.461 222 HB2 GLU 32 HB2 GLU 32 -2.329 13.629 15.318 223 HB3 GLU 32 HB3 GLU 32 -1.159 12.972 16.444 224 HG2 GLU 32 HG2 GLU 32 -0.669 15.185 17.350 225 HG3 GLU 32 HG3 GLU 32 -1.599 15.970 16.088 226 HE2 GLU 32 HE2 GLU 32 -2.037 15.758 19.106 227 H LYS 33 HN LYS 33 2.017 14.115 13.591 228 HA LYS 33 HA LYS 33 4.094 13.528 14.072 229 HB2 LYS 33 HB2 LYS 33 5.020 14.397 16.176 230 HB3 LYS 33 HB3 LYS 33 3.998 15.571 15.371 231 HG2 LYS 33 HG2 LYS 33 2.159 15.165 16.896 232 HG3 LYS 33 HG3 LYS 33 2.925 13.731 17.550 233 HD2 LYS 33 HD2 LYS 33 3.795 15.057 19.175 234 HD3 LYS 33 HD3 LYS 33 4.858 15.727 17.953 235 HE2 LYS 33 HE2 LYS 33 3.648 17.686 17.769 236 HE3 LYS 33 HE3 LYS 33 2.106 16.880 17.972 237 HZ1 LYS 33 HZ1 LYS 33 3.977 17.193 20.246 238 HZ2 LYS 33 HZ2 LYS 33 2.884 18.344 19.883 239 H GLY 34 HN GLY 34 3.357 11.253 13.715 240 HA2 GLY 34 HA1 GLY 34 4.494 9.441 15.343 241 HA3 GLY 34 HA2 GLY 34 2.917 9.641 16.081 242 HA PRO 35 HA PRO 35 2.623 7.794 11.528 243 HB2 PRO 35 HB2 PRO 35 4.761 6.097 11.046 244 HB3 PRO 35 HB3 PRO 35 4.740 7.833 10.595 245 HG2 PRO 35 HG2 PRO 35 5.930 6.487 13.046 246 HG3 PRO 35 HG3 PRO 35 6.680 7.684 11.942 247 HD2 PRO 35 HD2 PRO 35 5.541 8.418 14.321 248 HD3 PRO 35 HD3 PRO 35 5.386 9.451 12.867 249 H GLY 36 HN GLY 36 3.276 4.984 11.060 250 HA2 GLY 36 HA1 GLY 36 2.825 2.898 11.815 251 HA3 GLY 36 HA2 GLY 36 2.801 3.499 13.461 252 H LYS 37 HN LYS 37 0.908 2.001 13.701 253 HA LYS 37 HA LYS 37 -1.455 2.445 12.251 254 HB2 LYS 37 HB2 LYS 37 -0.640 0.918 14.677 255 HB3 LYS 37 HB3 LYS 37 -2.348 1.268 14.497 256 HG2 LYS 37 HG2 LYS 37 -0.581 -0.094 12.409 257 HG3 LYS 37 HG3 LYS 37 -1.760 -0.896 13.428 258 HD2 LYS 37 HD2 LYS 37 -3.416 0.939 12.368 259 HD3 LYS 37 HD3 LYS 37 -2.218 0.953 11.089 260 HE2 LYS 37 HE2 LYS 37 -3.334 -1.680 12.120 261 HE3 LYS 37 HE3 LYS 37 -4.222 -0.745 10.933 262 HZ1 LYS 37 HZ1 LYS 37 -1.707 -2.172 10.603 263 HZ2 LYS 37 HZ2 LYS 37 -2.898 -1.926 9.520 264 H ILE 38 HN ILE 38 -3.386 3.565 12.818 265 HA ILE 38 HA ILE 38 -2.837 5.890 14.469 266 HB ILE 38 HB ILE 38 -5.107 5.217 12.594 267 HG12 ILE 38 HG1 ILE 38 -2.515 6.687 12.284 268 HG23 ILE 38 HG2 ILE 38 -6.096 7.239 13.025 269 HD11 ILE 38 HD1 ILE 38 -5.196 7.461 11.146 270 H GLU 39 HN GLU 39 -2.986 5.326 16.618 271 HA GLU 39 HA GLU 39 -3.844 3.963 18.277 272 HB2 GLU 39 HB2 GLU 39 -5.496 6.465 17.819 273 HB3 GLU 39 HB3 GLU 39 -5.787 5.449 19.217 274 HG2 GLU 39 HG2 GLU 39 -3.721 5.940 20.192 275 HG3 GLU 39 HG3 GLU 39 -2.932 6.209 18.652 276 HE2 GLU 39 HE2 GLU 39 -4.745 8.466 21.026 277 H GLY 40 HN GLY 40 -7.098 5.073 17.931 278 HA2 GLY 40 HA1 GLY 40 -7.922 2.416 16.915 279 HA3 GLY 40 HA2 GLY 40 -8.729 3.253 18.227 280 H PHE 41 HN PHE 41 -7.937 3.414 14.720 281 HA PHE 41 HA PHE 41 -9.653 5.642 14.266 282 HB2 PHE 41 HB2 PHE 41 -7.705 5.151 12.825 283 HB3 PHE 41 HB3 PHE 41 -8.246 3.504 12.568 284 HD1 PHE 41 HD1 PHE 41 -8.960 7.034 11.758 285 HD2 PHE 41 HD2 PHE 41 -9.790 2.975 10.842 286 HE1 PHE 41 HE1 PHE 41 -10.142 7.749 9.661 287 HE2 PHE 41 HE2 PHE 41 -10.972 3.689 8.747 288 HZ PHE 41 HZ PHE 41 -11.133 6.067 8.181 289 H GLY 42 HN GLY 42 -11.753 5.691 13.430 290 HA2 GLY 42 HA1 GLY 42 -13.051 3.086 12.957 291 HA3 GLY 42 HA2 GLY 42 -13.744 4.226 14.094 292 H LYS 43 HN LYS 43 -15.375 3.542 12.046 293 HA LYS 43 HA LYS 43 -15.068 4.987 9.681 294 HB2 LYS 43 HB2 LYS 43 -17.251 3.524 11.071 295 HB3 LYS 43 HB3 LYS 43 -17.751 4.699 9.872 296 HG2 LYS 43 HG2 LYS 43 -17.461 2.774 8.556 297 HG3 LYS 43 HG3 LYS 43 -15.922 3.584 8.340 298 HD2 LYS 43 HD2 LYS 43 -16.281 1.579 10.591 299 HD3 LYS 43 HD3 LYS 43 -15.960 1.020 8.962 300 HE2 LYS 43 HE2 LYS 43 -14.058 3.035 9.267 301 HE3 LYS 43 HE3 LYS 43 -14.143 2.366 10.884 302 HZ1 LYS 43 HZ1 LYS 43 -14.110 0.211 9.105 303 HZ2 LYS 43 HZ2 LYS 43 -12.930 1.221 8.616 304 H GLU 44 HN GLU 44 -17.052 5.735 12.634 305 HA GLU 44 HA GLU 44 -18.089 8.069 11.929 306 HB2 GLU 44 HB2 GLU 44 -18.334 6.919 14.152 307 HB3 GLU 44 HB3 GLU 44 -16.762 7.534 14.624 308 HG2 GLU 44 HG2 GLU 44 -18.834 8.894 15.379 309 HG3 GLU 44 HG3 GLU 44 -17.511 9.792 14.663 310 HE2 GLU 44 HE2 GLU 44 -20.323 8.226 12.678 311 H MET 45 HN MET 45 -14.668 7.471 12.839 312 HA MET 45 HA MET 45 -13.992 10.199 12.912 313 HB2 MET 45 HB2 MET 45 -12.795 7.709 13.534 314 HB3 MET 45 HB3 MET 45 -11.810 8.316 12.217 315 HG2 MET 45 HG2 MET 45 -10.712 9.469 13.869 316 HG3 MET 45 HG3 MET 45 -12.044 10.600 13.730 317 HE1 MET 45 HE1 MET 45 -10.972 9.701 17.581 318 HE2 MET 45 HE2 MET 45 -10.013 8.886 16.322 319 HE3 MET 45 HE3 MET 45 -10.422 10.610 16.153 320 H ALA 46 HN ALA 46 -13.902 7.625 10.401 321 HA ALA 46 HA ALA 46 -12.356 8.882 8.510 322 HB1 ALA 46 HB1 ALA 46 -12.875 6.948 7.495 323 HB2 ALA 46 HB2 ALA 46 -14.139 6.644 8.710 324 HB3 ALA 46 HB3 ALA 46 -14.533 7.534 7.220 325 H HIS 47 HN HIS 47 -15.919 8.765 8.454 326 HA HIS 47 HA HIS 47 -16.262 10.887 6.596 327 HB2 HIS 47 HB2 HIS 47 -18.246 10.027 8.765 328 HB3 HIS 47 HB3 HIS 47 -18.595 10.747 7.135 329 HD1 HIS 47 HD1 HIS 47 -18.812 7.710 8.829 330 HD2 HIS 47 HD2 HIS 47 -17.475 8.764 5.013 331 HE1 HIS 47 HE1 HIS 47 -18.929 5.563 7.409 332 H GLY 48 HN GLY 48 -15.224 10.971 9.902 333 HA2 GLY 48 HA1 GLY 48 -16.322 13.526 10.592 334 HA3 GLY 48 HA2 GLY 48 -15.073 12.631 11.435 335 H LYS 49 HN LYS 49 -13.317 13.959 11.648 336 HA LYS 49 HA LYS 49 -12.568 15.543 9.296 337 HB2 LYS 49 HB2 LYS 49 -12.911 16.254 12.000 338 HB3 LYS 49 HB3 LYS 49 -11.178 16.249 11.739 339 HG2 LYS 49 HG2 LYS 49 -11.652 17.606 9.578 340 HG3 LYS 49 HG3 LYS 49 -13.282 17.813 10.188 341 HD2 LYS 49 HD2 LYS 49 -11.613 18.446 12.388 342 HD3 LYS 49 HD3 LYS 49 -10.811 19.166 11.007 343 HE2 LYS 49 HE2 LYS 49 -12.385 20.800 10.836 344 HE3 LYS 49 HE3 LYS 49 -13.693 19.634 10.848 345 HZ1 LYS 49 HZ1 LYS 49 -13.937 19.836 13.109 346 HZ2 LYS 49 HZ2 LYS 49 -12.365 20.142 13.404 347 H GLY 50 HN GLY 50 -12.039 12.826 9.109 348 HA2 GLY 50 HA1 GLY 50 -9.118 12.864 9.146 349 HA3 GLY 50 HA2 GLY 50 -9.909 11.606 10.076 350 H CYS 51 HN CYS 51 -11.230 13.018 7.051 351 HA CYS 51 HA CYS 51 -10.175 11.202 5.267 352 HB2 CYS 51 HB2 CYS 51 -11.710 9.749 6.918 353 HB3 CYS 51 HB3 CYS 51 -12.949 10.271 5.795 354 H LYS 52 HN LYS 52 -13.606 12.183 6.008 355 HA LYS 52 HA LYS 52 -13.724 13.482 3.419 356 HB2 LYS 52 HB2 LYS 52 -15.543 11.995 4.049 357 HB3 LYS 52 HB3 LYS 52 -15.836 12.907 5.516 358 HG2 LYS 52 HG2 LYS 52 -15.895 14.348 2.854 359 HG3 LYS 52 HG3 LYS 52 -17.275 13.377 3.326 360 HD2 LYS 52 HD2 LYS 52 -16.330 15.099 5.527 361 HD3 LYS 52 HD3 LYS 52 -16.765 16.029 4.107 362 HE2 LYS 52 HE2 LYS 52 -18.924 14.465 4.099 363 HE3 LYS 52 HE3 LYS 52 -18.508 14.205 5.780 364 HZ1 LYS 52 HZ1 LYS 52 -19.961 16.101 5.625 365 HZ2 LYS 52 HZ2 LYS 52 -18.494 16.673 6.040 366 H GLY 53 HN GLY 53 -14.416 14.321 6.888 367 HA2 GLY 53 HA1 GLY 53 -14.968 16.911 6.826 368 HA3 GLY 53 HA2 GLY 53 -13.852 16.234 7.996 369 H CYS 54 HN CYS 54 -11.536 15.689 6.721 370 HA CYS 54 HA CYS 54 -10.212 17.993 6.531 371 HB2 CYS 54 HB2 CYS 54 -9.622 15.312 6.030 372 HB3 CYS 54 HB3 CYS 54 -9.200 16.115 4.530 373 H HIS 55 HN HIS 55 -11.406 16.128 3.724 374 HA HIS 55 HA HIS 55 -10.898 17.987 1.686 375 HB2 HIS 55 HB2 HIS 55 -13.292 16.077 1.859 376 HB3 HIS 55 HB3 HIS 55 -12.497 16.734 0.364 377 HD1 HIS 55 HD1 HIS 55 -12.879 13.704 1.697 378 HD2 HIS 55 HD2 HIS 55 -9.385 15.871 0.944 379 HE1 HIS 55 HE1 HIS 55 -10.984 11.968 1.499 380 H GLU 56 HN GLU 56 -13.856 17.693 3.800 381 HA GLU 56 HA GLU 56 -15.039 19.937 2.528 382 HB2 GLU 56 HB2 GLU 56 -16.185 17.913 3.726 383 HB3 GLU 56 HB3 GLU 56 -15.883 18.796 5.209 384 HG2 GLU 56 HG2 GLU 56 -16.995 20.828 3.924 385 HG3 GLU 56 HG3 GLU 56 -17.638 19.587 2.867 386 HE2 GLU 56 HE2 GLU 56 -19.726 18.566 3.958 387 H GLU 57 HN GLU 57 -12.354 19.786 4.377 388 HA GLU 57 HA GLU 57 -13.070 22.031 6.066 389 HB2 GLU 57 HB2 GLU 57 -11.497 19.767 6.518 390 HB3 GLU 57 HB3 GLU 57 -10.302 21.020 6.253 391 HG2 GLU 57 HG2 GLU 57 -11.721 22.458 7.917 392 HG3 GLU 57 HG3 GLU 57 -12.506 20.951 8.349 393 HE2 GLU 57 HE2 GLU 57 -10.638 22.691 9.740 394 H MET 58 HN MET 58 -10.469 20.998 3.741 395 HA MET 58 HA MET 58 -9.742 23.773 3.439 396 HB2 MET 58 HB2 MET 58 -8.429 21.206 3.244 397 HB3 MET 58 HB3 MET 58 -8.328 21.947 1.658 398 HG2 MET 58 HG2 MET 58 -6.860 23.559 2.367 399 HG3 MET 58 HG3 MET 58 -7.753 23.860 3.845 400 HE1 MET 58 HE1 MET 58 -3.801 22.531 4.196 401 HE2 MET 58 HE2 MET 58 -4.528 23.052 2.657 402 HE3 MET 58 HE3 MET 58 -4.742 24.040 4.122 403 H LYS 59 HN LYS 59 -11.629 21.279 1.860 404 HA LYS 59 HA LYS 59 -13.089 21.576 0.175 405 HB2 LYS 59 HB2 LYS 59 -12.579 24.152 0.579 406 HB3 LYS 59 HB3 LYS 59 -11.712 23.993 -0.935 407 HG2 LYS 59 HG2 LYS 59 -13.867 22.827 -1.838 408 HG3 LYS 59 HG3 LYS 59 -14.661 23.456 -0.408 409 HD2 LYS 59 HD2 LYS 59 -14.102 25.763 -1.033 410 HD3 LYS 59 HD3 LYS 59 -13.105 25.210 -2.365 411 HE2 LYS 59 HE2 LYS 59 -14.961 25.409 -3.668 412 HE3 LYS 59 HE3 LYS 59 -15.550 23.957 -2.883 413 HZ1 LYS 59 HZ1 LYS 59 -15.995 26.379 -1.361 414 HZ2 LYS 59 HZ2 LYS 59 -16.806 26.336 -2.773 415 H LYS 60 HN LYS 60 -10.622 20.040 0.306 416 HA LYS 60 HA LYS 60 -10.155 19.832 -2.577 417 HB2 LYS 60 HB2 LYS 60 -7.759 19.299 -2.068 418 HB3 LYS 60 HB3 LYS 60 -8.215 20.970 -1.809 419 HG2 LYS 60 HG2 LYS 60 -8.648 20.284 0.671 420 HG3 LYS 60 HG3 LYS 60 -7.779 18.810 0.291 421 HD2 LYS 60 HD2 LYS 60 -6.748 21.657 0.336 422 HD3 LYS 60 HD3 LYS 60 -6.080 20.237 1.118 423 HE2 LYS 60 HE2 LYS 60 -4.596 20.434 -0.666 424 HE3 LYS 60 HE3 LYS 60 -5.782 19.367 -1.392 425 HZ1 LYS 60 HZ1 LYS 60 -6.217 20.949 -2.904 426 HZ2 LYS 60 HZ2 LYS 60 -6.607 22.042 -1.762 427 H GLY 61 HN GLY 61 -10.487 17.803 -3.345 428 HA2 GLY 61 HA1 GLY 61 -10.087 15.446 -3.093 429 HA3 GLY 61 HA2 GLY 61 -10.443 15.593 -1.383 430 HA PRO 62 HA PRO 62 -14.402 14.624 -3.636 431 HB2 PRO 62 HB2 PRO 62 -14.441 11.902 -3.640 432 HB3 PRO 62 HB3 PRO 62 -13.518 12.834 -4.863 433 HG2 PRO 62 HG2 PRO 62 -12.162 11.264 -2.450 434 HG3 PRO 62 HG3 PRO 62 -11.987 11.795 -4.154 435 HD2 PRO 62 HD2 PRO 62 -11.237 13.179 -1.610 436 HD3 PRO 62 HD3 PRO 62 -10.696 13.517 -3.283 437 H THR 63 HN THR 63 -16.377 14.251 -2.482 438 HA THR 63 HA THR 63 -15.991 13.283 0.274 439 HB THR 63 HB THR 63 -17.612 14.998 0.966 440 HG1 THR 63 HG1 THR 63 -18.932 15.004 -0.938 441 HG21 THR 63 HG2 THR 63 -16.453 17.065 0.403 442 H LYS 64 HN LYS 64 -17.645 13.011 -2.774 443 HA LYS 64 HA LYS 64 -20.036 11.882 -1.880 444 HB2 LYS 64 HB2 LYS 64 -19.829 12.685 -4.127 445 HB3 LYS 64 HB3 LYS 64 -18.480 11.619 -4.463 446 HG2 LYS 64 HG2 LYS 64 -20.294 10.465 -5.434 447 HG3 LYS 64 HG3 LYS 64 -20.125 9.667 -3.883 448 HD2 LYS 64 HD2 LYS 64 -21.831 11.786 -3.269 449 HD3 LYS 64 HD3 LYS 64 -22.333 11.368 -4.896 450 HE2 LYS 64 HE2 LYS 64 -22.074 8.857 -3.744 451 HE3 LYS 64 HE3 LYS 64 -22.607 9.812 -2.374 452 HZ1 LYS 64 HZ1 LYS 64 -24.653 9.568 -3.257 453 HZ2 LYS 64 HZ2 LYS 64 -24.233 10.641 -4.408 454 H CYS 65 HN CYS 65 -20.713 9.661 -1.722 455 HA CYS 65 HA CYS 65 -18.854 8.070 -0.372 456 HB2 CYS 65 HB2 CYS 65 -21.239 6.759 -1.540 457 HB3 CYS 65 HB3 CYS 65 -20.589 6.688 0.085 458 H GLY 66 HN GLY 66 -20.576 7.515 -3.541 459 HA2 GLY 66 HA1 GLY 66 -19.305 5.340 -4.481 460 HA3 GLY 66 HA2 GLY 66 -19.794 6.682 -5.496 461 H GLU 67 HN GLU 67 -17.902 8.580 -4.023 462 HA GLU 67 HA GLU 67 -15.712 8.125 -5.734 463 HB2 GLU 67 HB2 GLU 67 -16.205 10.141 -3.505 464 HB3 GLU 67 HB3 GLU 67 -14.762 10.156 -4.498 465 HG2 GLU 67 HG2 GLU 67 -17.574 10.238 -5.678 466 HG3 GLU 67 HG3 GLU 67 -16.675 11.686 -5.274 467 HE2 GLU 67 HE2 GLU 67 -15.913 12.369 -7.432 468 H CYS 68 HN CYS 68 -16.286 7.845 -2.180 469 HA CYS 68 HA CYS 68 -13.579 6.948 -1.778 470 HB2 CYS 68 HB2 CYS 68 -15.827 7.816 -0.063 471 HB3 CYS 68 HB3 CYS 68 -14.857 6.519 0.609 472 H HIS 69 HN HIS 69 -16.926 5.763 -1.621 473 HA HIS 69 HA HIS 69 -16.008 2.956 -1.293 474 HB2 HIS 69 HB2 HIS 69 -18.768 4.295 -1.226 475 HB3 HIS 69 HB3 HIS 69 -18.474 2.515 -1.014 476 HD1 HIS 69 HD1 HIS 69 -17.035 1.888 1.110 477 HD2 HIS 69 HD2 HIS 69 -18.611 5.758 1.090 478 HE1 HIS 69 HE1 HIS 69 -16.949 2.710 3.550 479 H LYS 70 HN LYS 70 -16.366 1.312 -2.827 480 HA LYS 70 HA LYS 70 -17.566 2.113 -5.356 481 HB2 LYS 70 HB2 LYS 70 -15.242 2.645 -5.703 482 HB3 LYS 70 HB3 LYS 70 -14.728 1.102 -5.052 483 HG2 LYS 70 HG2 LYS 70 -14.696 0.482 -7.265 484 HG3 LYS 70 HG3 LYS 70 -16.405 0.199 -6.998 485 HD2 LYS 70 HD2 LYS 70 -17.057 2.128 -8.141 486 HD3 LYS 70 HD3 LYS 70 -15.591 2.999 -7.736 487 HE2 LYS 70 HE2 LYS 70 -14.802 0.742 -9.330 488 HE3 LYS 70 HE3 LYS 70 -16.181 1.471 -10.129 489 HZ1 LYS 70 HZ1 LYS 70 -14.290 3.424 -9.187 490 HZ2 LYS 70 HZ2 LYS 70 -13.632 2.405 -10.274 491 H LYS 71 HN LYS 71 -19.161 0.663 -5.669 492 HA LYS 71 HA LYS 71 -18.785 -2.009 -4.560 493 HB2 LYS 71 HB2 LYS 71 -21.247 -2.209 -5.015 494 HB3 LYS 71 HB3 LYS 71 -20.803 -0.990 -3.837 495 HG2 LYS 71 HG2 LYS 71 -20.837 0.077 -6.591 496 HG3 LYS 71 HG3 LYS 71 -22.388 -0.585 -6.117 497 HD2 LYS 71 HD2 LYS 71 -22.107 0.779 -3.914 498 HD3 LYS 71 HD3 LYS 71 -20.805 1.618 -4.736 499 HE2 LYS 71 HE2 LYS 71 -22.540 2.017 -6.659 500 HE3 LYS 71 HE3 LYS 71 -23.754 1.550 -5.484 501 HZ1 LYS 71 HZ1 LYS 71 -23.537 3.526 -4.445 502 HZ2 LYS 71 HZ2 LYS 71 -21.910 3.473 -4.419 Start of MODEL 15 1 H1 ALA 1 HN ALA 1 3.020 2.140 1.968 2 HA ALA 1 HA ALA 1 4.752 1.453 0.450 3 HB1 ALA 1 HB1 ALA 1 4.511 -0.483 -0.660 4 HB2 ALA 1 HB2 ALA 1 2.880 -0.653 0.033 5 HB3 ALA 1 HB3 ALA 1 3.101 0.164 -1.533 6 H ASP 2 HN ASP 2 1.367 1.771 -0.854 7 HA ASP 2 HA ASP 2 1.930 4.477 -1.544 8 HB2 ASP 2 HB2 ASP 2 1.208 4.015 -3.995 9 HB3 ASP 2 HB3 ASP 2 2.857 3.627 -3.550 10 HD2 ASP 2 HD2 ASP 2 0.342 2.440 -5.178 11 H ASP 3 HN ASP 3 -0.173 1.630 -2.449 12 HA ASP 3 HA ASP 3 -2.479 3.335 -2.022 13 HB2 ASP 3 HB2 ASP 3 -2.288 0.541 -3.245 14 HB3 ASP 3 HB3 ASP 3 -3.736 1.527 -3.195 15 HD2 ASP 3 HD2 ASP 3 -1.542 3.907 -4.459 16 H ILE 4 HN ILE 4 -3.837 2.945 -0.237 17 HA ILE 4 HA ILE 4 -3.286 0.494 1.288 18 HB ILE 4 HB ILE 4 -4.070 3.228 2.305 19 HG12 ILE 4 HG1 ILE 4 -1.452 1.773 2.115 20 HG23 ILE 4 HG2 ILE 4 -3.252 0.913 4.037 21 HD11 ILE 4 HD1 ILE 4 -1.640 2.135 4.511 22 H VAL 5 HN VAL 5 -4.899 -0.935 0.926 23 HA VAL 5 HA VAL 5 -7.528 0.069 0.264 24 HB VAL 5 HB VAL 5 -6.309 -2.691 0.419 25 HG13 VAL 5 HG1 VAL 5 -9.097 -1.906 -0.499 26 HG21 VAL 5 HG2 VAL 5 -5.513 -1.268 -1.434 27 H LEU 6 HN LEU 6 -9.128 0.390 1.722 28 HA LEU 6 HA LEU 6 -8.706 -0.751 4.388 29 HB2 LEU 6 HB2 LEU 6 -10.488 1.554 3.608 30 HB3 LEU 6 HB3 LEU 6 -10.066 1.033 5.228 31 HG LEU 6 HG LEU 6 -7.907 1.923 3.332 32 HD13 LEU 6 HD1 LEU 6 -8.206 4.189 3.764 33 HD21 LEU 6 HD2 LEU 6 -8.217 1.513 6.270 34 H LYS 7 HN LYS 7 -9.479 -2.867 3.637 35 HA LYS 7 HA LYS 7 -11.717 -3.496 2.349 36 HB2 LYS 7 HB2 LYS 7 -10.649 -4.756 4.891 37 HB3 LYS 7 HB3 LYS 7 -11.874 -5.490 3.876 38 HG2 LYS 7 HG2 LYS 7 -10.013 -4.906 1.963 39 HG3 LYS 7 HG3 LYS 7 -8.949 -5.094 3.342 40 HD2 LYS 7 HD2 LYS 7 -9.238 -7.356 3.398 41 HD3 LYS 7 HD3 LYS 7 -10.979 -7.222 3.252 42 HE2 LYS 7 HE2 LYS 7 -10.949 -7.426 0.945 43 HE3 LYS 7 HE3 LYS 7 -9.437 -6.554 0.776 44 HZ1 LYS 7 HZ1 LYS 7 -8.255 -8.471 0.963 45 HZ2 LYS 7 HZ2 LYS 7 -9.199 -9.109 2.126 46 H ALA 8 HN ALA 8 -13.843 -3.008 2.442 47 HA ALA 8 HA ALA 8 -14.918 -2.272 5.072 48 HB1 ALA 8 HB1 ALA 8 -14.620 -0.632 2.687 49 HB2 ALA 8 HB2 ALA 8 -16.335 -0.806 3.127 50 HB3 ALA 8 HB3 ALA 8 -15.172 -0.170 4.315 51 H LYS 9 HN LYS 9 -17.268 -2.645 5.265 52 HA LYS 9 HA LYS 9 -17.977 -5.072 3.915 53 HB2 LYS 9 HB2 LYS 9 -18.384 -4.519 6.367 54 HB3 LYS 9 HB3 LYS 9 -19.662 -3.444 5.834 55 HG2 LYS 9 HG2 LYS 9 -20.371 -5.647 4.412 56 HG3 LYS 9 HG3 LYS 9 -19.534 -6.446 5.729 57 HD2 LYS 9 HD2 LYS 9 -21.573 -4.289 6.346 58 HD3 LYS 9 HD3 LYS 9 -22.121 -5.903 5.941 59 HE2 LYS 9 HE2 LYS 9 -21.428 -6.781 7.943 60 HE3 LYS 9 HE3 LYS 9 -19.916 -5.898 7.920 61 HZ1 LYS 9 HZ1 LYS 9 -20.810 -4.313 9.226 62 HZ2 LYS 9 HZ2 LYS 9 -22.144 -4.145 8.308 63 H ASN 10 HN ASN 10 -18.752 -1.600 3.716 64 HA ASN 10 HA ASN 10 -20.681 -2.266 1.642 65 HB2 ASN 10 HB2 ASN 10 -21.764 -0.839 3.217 66 HB3 ASN 10 HB3 ASN 10 -20.320 0.114 3.494 67 HD21 ASN 10 HD2 ASN 10 -22.021 2.524 1.565 68 H GLY 11 HN GLY 11 -18.550 -2.687 0.340 69 HA2 GLY 11 HA1 GLY 11 -17.421 -1.967 -1.506 70 HA3 GLY 11 HA2 GLY 11 -17.943 -0.323 -1.203 71 H ASP 12 HN ASP 12 -15.203 -1.631 -1.778 72 HA ASP 12 HA ASP 12 -13.762 -1.248 0.630 73 HB2 ASP 12 HB2 ASP 12 -12.416 -1.202 -2.066 74 HB3 ASP 12 HB3 ASP 12 -11.896 -1.987 -0.588 75 HD2 ASP 12 HD2 ASP 12 -13.885 -4.849 -1.245 76 H VAL 13 HN VAL 13 -11.647 0.294 0.374 77 HA VAL 13 HA VAL 13 -12.471 2.775 -0.955 78 HB VAL 13 HB VAL 13 -11.378 2.446 1.845 79 HG13 VAL 13 HG1 VAL 13 -10.335 4.401 1.223 80 HG21 VAL 13 HG2 VAL 13 -13.842 3.996 1.438 81 H LYS 14 HN LYS 14 -11.016 3.125 -2.550 82 HA LYS 14 HA LYS 14 -8.337 2.063 -2.220 83 HB2 LYS 14 HB2 LYS 14 -9.218 1.539 -4.318 84 HB3 LYS 14 HB3 LYS 14 -9.956 3.115 -4.527 85 HG2 LYS 14 HG2 LYS 14 -7.918 2.854 -5.942 86 HG3 LYS 14 HG3 LYS 14 -7.751 4.174 -4.801 87 HD2 LYS 14 HD2 LYS 14 -6.651 2.352 -3.231 88 HD3 LYS 14 HD3 LYS 14 -6.462 1.429 -4.709 89 HE2 LYS 14 HE2 LYS 14 -5.607 4.289 -4.884 90 HE3 LYS 14 HE3 LYS 14 -4.645 3.290 -3.812 91 HZ1 LYS 14 HZ1 LYS 14 -4.611 1.660 -5.798 92 HZ2 LYS 14 HZ2 LYS 14 -5.076 2.927 -6.709 93 H PHE 15 HN PHE 15 -7.423 3.399 -0.613 94 HA PHE 15 HA PHE 15 -7.339 6.248 -1.267 95 HB2 PHE 15 HB2 PHE 15 -8.103 5.350 1.019 96 HB3 PHE 15 HB3 PHE 15 -6.513 4.642 1.226 97 HD1 PHE 15 HD1 PHE 15 -7.537 8.001 -0.038 98 HD2 PHE 15 HD2 PHE 15 -5.470 5.793 2.938 99 HE1 PHE 15 HE1 PHE 15 -6.716 10.143 0.981 100 HE2 PHE 15 HE2 PHE 15 -4.649 7.934 3.957 101 HZ PHE 15 HZ PHE 15 -5.281 10.083 2.967 102 HA PRO 16 HA PRO 16 -3.127 5.458 -2.497 103 HB2 PRO 16 HB2 PRO 16 -2.832 7.778 -3.921 104 HB3 PRO 16 HB3 PRO 16 -3.830 6.409 -4.510 105 HG2 PRO 16 HG2 PRO 16 -5.025 9.110 -3.383 106 HG3 PRO 16 HG3 PRO 16 -5.173 7.752 -4.546 107 HD2 PRO 16 HD2 PRO 16 -6.176 8.014 -1.743 108 HD3 PRO 16 HD3 PRO 16 -6.653 6.839 -3.007 109 H HIS 17 HN HIS 17 -2.298 5.596 -0.353 110 HA HIS 17 HA HIS 17 -2.080 7.992 1.169 111 HB2 HIS 17 HB2 HIS 17 -1.865 5.618 1.970 112 HB3 HIS 17 HB3 HIS 17 -0.231 5.544 1.181 113 HD1 HIS 17 HD1 HIS 17 1.671 6.567 2.389 114 HD2 HIS 17 HD2 HIS 17 -1.968 7.243 4.331 115 HE1 HIS 17 HE1 HIS 17 2.261 7.507 4.715 116 H LYS 18 HN LYS 18 0.466 6.348 -0.898 117 HA LYS 18 HA LYS 18 2.437 8.179 -0.656 118 HB2 LYS 18 HB2 LYS 18 3.098 6.385 -1.888 119 HB3 LYS 18 HB3 LYS 18 1.584 6.267 -2.761 120 HG2 LYS 18 HG2 LYS 18 2.211 7.857 -4.362 121 HG3 LYS 18 HG3 LYS 18 3.287 8.700 -3.266 122 HD2 LYS 18 HD2 LYS 18 5.053 7.190 -3.603 123 HD3 LYS 18 HD3 LYS 18 3.985 5.862 -4.014 124 HE2 LYS 18 HE2 LYS 18 3.820 8.157 -5.899 125 HE3 LYS 18 HE3 LYS 18 5.398 7.396 -5.849 126 HZ1 LYS 18 HZ1 LYS 18 4.582 5.556 -6.850 127 HZ2 LYS 18 HZ2 LYS 18 3.236 5.494 -5.935 128 H ALA 19 HN ALA 19 -0.583 8.445 -2.557 129 HA ALA 19 HA ALA 19 0.199 10.791 -3.931 130 HB1 ALA 19 HB1 ALA 19 -2.135 10.867 -4.599 131 HB2 ALA 19 HB2 ALA 19 -1.590 9.173 -4.632 132 HB3 ALA 19 HB3 ALA 19 -2.590 9.760 -3.283 133 H HIS 20 HN HIS 20 -1.263 10.037 -0.845 134 HA HIS 20 HA HIS 20 -1.870 12.871 -0.252 135 HB2 HIS 20 HB2 HIS 20 -2.448 10.163 0.967 136 HB3 HIS 20 HB3 HIS 20 -2.462 11.621 2.050 137 HD1 HIS 20 HD1 HIS 20 -4.017 10.582 -1.256 138 HD2 HIS 20 HD2 HIS 20 -4.928 12.745 2.202 139 HE1 HIS 20 HE1 HIS 20 -6.472 11.330 -1.502 140 H GLN 21 HN GLN 21 0.976 11.685 -0.684 141 HA GLN 21 HA GLN 21 2.020 12.458 1.926 142 HB2 GLN 21 HB2 GLN 21 3.778 10.971 1.643 143 HB3 GLN 21 HB3 GLN 21 2.533 10.133 0.738 144 HG2 GLN 21 HG2 GLN 21 4.182 10.105 -0.881 145 HG3 GLN 21 HG3 GLN 21 3.478 11.661 -1.276 146 HE21 GLN 21 HE2 GLN 21 6.820 12.768 -1.187 147 H LYS 22 HN LYS 22 1.218 13.858 -0.901 148 HA LYS 22 HA LYS 22 3.423 15.751 -0.697 149 HB2 LYS 22 HB2 LYS 22 3.852 14.014 -2.543 150 HB3 LYS 22 HB3 LYS 22 2.513 14.752 -3.400 151 HG2 LYS 22 HG2 LYS 22 3.897 17.009 -2.737 152 HG3 LYS 22 HG3 LYS 22 5.229 15.872 -2.792 153 HD2 LYS 22 HD2 LYS 22 4.485 15.155 -5.094 154 HD3 LYS 22 HD3 LYS 22 3.213 16.359 -5.037 155 HE2 LYS 22 HE2 LYS 22 5.242 18.014 -4.466 156 HE3 LYS 22 HE3 LYS 22 6.203 16.766 -5.234 157 HZ1 LYS 22 HZ1 LYS 22 5.486 18.310 -6.910 158 HZ2 LYS 22 HZ2 LYS 22 4.648 16.938 -7.171 159 H ALA 23 HN ALA 23 0.421 15.390 0.013 160 HA ALA 23 HA ALA 23 -0.489 17.790 -1.424 161 HB1 ALA 23 HB1 ALA 23 -2.262 16.549 -2.031 162 HB2 ALA 23 HB2 ALA 23 -1.692 15.175 -1.053 163 HB3 ALA 23 HB3 ALA 23 -2.709 16.434 -0.312 164 H VAL 24 HN VAL 24 1.050 17.020 1.276 165 HA VAL 24 HA VAL 24 -0.499 18.935 2.852 166 HB VAL 24 HB VAL 24 0.745 16.772 4.401 167 HG13 VAL 24 HG1 VAL 24 -2.140 17.487 4.630 168 HG21 VAL 24 HG2 VAL 24 -1.194 15.207 3.978 169 HA PRO 25 HA PRO 25 3.665 20.612 1.985 170 HB2 PRO 25 HB2 PRO 25 2.232 22.538 3.873 171 HB3 PRO 25 HB3 PRO 25 3.331 22.868 2.494 172 HG2 PRO 25 HG2 PRO 25 0.638 22.909 2.172 173 HG3 PRO 25 HG3 PRO 25 1.642 22.354 0.792 174 HD2 PRO 25 HD2 PRO 25 -0.166 20.816 2.598 175 HD3 PRO 25 HD3 PRO 25 0.551 20.322 1.034 176 H ASP 26 HN ASP 26 1.943 20.476 5.211 177 HA ASP 26 HA ASP 26 4.546 19.733 6.297 178 HB2 ASP 26 HB2 ASP 26 3.195 20.643 8.495 179 HB3 ASP 26 HB3 ASP 26 4.271 21.639 7.536 180 HD2 ASP 26 HD2 ASP 26 2.068 23.514 8.388 181 H CYS 27 HN CYS 27 4.278 17.466 6.442 182 HA CYS 27 HA CYS 27 1.920 16.131 6.746 183 HB2 CYS 27 HB2 CYS 27 4.491 15.402 6.401 184 HB3 CYS 27 HB3 CYS 27 4.293 14.957 8.085 185 H LYS 28 HN LYS 28 1.920 14.503 8.986 186 HA LYS 28 HA LYS 28 1.443 14.382 11.142 187 HB2 LYS 28 HB2 LYS 28 2.857 17.046 11.463 188 HB3 LYS 28 HB3 LYS 28 2.430 15.936 12.749 189 HG2 LYS 28 HG2 LYS 28 4.199 14.553 12.311 190 HG3 LYS 28 HG3 LYS 28 3.949 14.623 10.577 191 HD2 LYS 28 HD2 LYS 28 6.033 15.702 10.847 192 HD3 LYS 28 HD3 LYS 28 4.917 17.045 10.720 193 HE2 LYS 28 HE2 LYS 28 4.845 17.267 13.189 194 HE3 LYS 28 HE3 LYS 28 5.875 15.860 13.368 195 HZ1 LYS 28 HZ1 LYS 28 6.851 18.323 13.260 196 HZ2 LYS 28 HZ2 LYS 28 7.709 17.045 12.730 197 H LYS 29 HN LYS 29 -0.118 15.935 8.955 198 HA LYS 29 HA LYS 29 -1.623 17.835 10.485 199 HB2 LYS 29 HB2 LYS 29 -1.199 18.191 8.108 200 HB3 LYS 29 HB3 LYS 29 -2.015 16.694 7.703 201 HG2 LYS 29 HG2 LYS 29 -4.154 17.538 8.460 202 HG3 LYS 29 HG3 LYS 29 -3.413 18.915 9.252 203 HD2 LYS 29 HD2 LYS 29 -3.203 18.463 6.244 204 HD3 LYS 29 HD3 LYS 29 -4.524 19.361 6.965 205 HE2 LYS 29 HE2 LYS 29 -1.717 20.135 7.750 206 HE3 LYS 29 HE3 LYS 29 -2.263 20.576 6.144 207 HZ1 LYS 29 HZ1 LYS 29 -3.477 21.381 8.721 208 HZ2 LYS 29 HZ2 LYS 29 -2.893 22.352 7.551 209 H CYS 30 HN CYS 30 -2.105 14.497 9.180 210 HA CYS 30 HA CYS 30 -4.630 14.364 10.590 211 HB2 CYS 30 HB2 CYS 30 -3.575 11.972 9.172 212 HB3 CYS 30 HB3 CYS 30 -5.197 12.634 9.215 213 H HIS 31 HN HIS 31 -1.507 12.659 10.325 214 HA HIS 31 HA HIS 31 -1.870 10.888 12.542 215 HB2 HIS 31 HB2 HIS 31 0.606 11.968 11.096 216 HB3 HIS 31 HB3 HIS 31 0.665 10.687 12.382 217 HD1 HIS 31 HD1 HIS 31 -1.138 8.644 11.707 218 HD2 HIS 31 HD2 HIS 31 0.660 10.836 8.636 219 HE1 HIS 31 HE1 HIS 31 -1.273 7.170 9.598 220 H GLU 32 HN GLU 32 0.015 14.024 12.316 221 HA GLU 32 HA GLU 32 0.455 15.532 13.818 222 HB2 GLU 32 HB2 GLU 32 -2.078 15.021 14.427 223 HB3 GLU 32 HB3 GLU 32 -1.393 14.320 15.879 224 HG2 GLU 32 HG2 GLU 32 -0.341 16.414 16.509 225 HG3 GLU 32 HG3 GLU 32 -0.661 17.126 14.940 226 HE2 GLU 32 HE2 GLU 32 -2.048 18.667 15.474 227 H LYS 33 HN LYS 33 -0.248 12.600 15.863 228 HA LYS 33 HA LYS 33 2.049 13.041 17.456 229 HB2 LYS 33 HB2 LYS 33 0.374 11.959 18.606 230 HB3 LYS 33 HB3 LYS 33 -0.087 10.959 17.242 231 HG2 LYS 33 HG2 LYS 33 1.436 9.324 17.757 232 HG3 LYS 33 HG3 LYS 33 2.694 10.479 18.151 233 HD2 LYS 33 HD2 LYS 33 0.492 10.550 20.109 234 HD3 LYS 33 HD3 LYS 33 1.197 8.951 19.983 235 HE2 LYS 33 HE2 LYS 33 3.489 9.975 20.292 236 HE3 LYS 33 HE3 LYS 33 2.732 11.541 20.512 237 HZ1 LYS 33 HZ1 LYS 33 2.807 10.839 22.679 238 HZ2 LYS 33 HZ2 LYS 33 1.375 10.157 22.310 239 H GLY 34 HN GLY 34 1.313 10.071 15.514 240 HA2 GLY 34 HA1 GLY 34 3.816 10.284 14.084 241 HA3 GLY 34 HA2 GLY 34 3.802 9.043 15.322 242 HA PRO 35 HA PRO 35 1.981 7.365 11.351 243 HB2 PRO 35 HB2 PRO 35 3.772 5.339 11.001 244 HB3 PRO 35 HB3 PRO 35 4.137 7.025 10.506 245 HG2 PRO 35 HG2 PRO 35 5.063 5.720 13.313 246 HG3 PRO 35 HG3 PRO 35 5.919 6.492 11.939 247 HD2 PRO 35 HD2 PRO 35 4.956 7.897 14.127 248 HD3 PRO 35 HD3 PRO 35 5.034 8.607 12.486 249 H GLY 36 HN GLY 36 2.108 4.476 11.219 250 HA2 GLY 36 HA1 GLY 36 1.296 2.605 12.189 251 HA3 GLY 36 HA2 GLY 36 1.522 3.336 13.766 252 H LYS 37 HN LYS 37 -0.748 1.760 13.226 253 HA LYS 37 HA LYS 37 -2.979 2.847 12.226 254 HB2 LYS 37 HB2 LYS 37 -4.225 1.536 13.873 255 HB3 LYS 37 HB3 LYS 37 -2.874 0.630 13.221 256 HG2 LYS 37 HG2 LYS 37 -1.914 0.419 15.270 257 HG3 LYS 37 HG3 LYS 37 -2.022 2.141 15.572 258 HD2 LYS 37 HD2 LYS 37 -3.350 1.053 17.272 259 HD3 LYS 37 HD3 LYS 37 -4.475 1.820 16.168 260 HE2 LYS 37 HE2 LYS 37 -5.273 -0.195 15.350 261 HE3 LYS 37 HE3 LYS 37 -3.714 -0.988 15.469 262 HZ1 LYS 37 HZ1 LYS 37 -5.823 -0.906 17.410 263 HZ2 LYS 37 HZ2 LYS 37 -4.564 -1.934 17.315 264 H ILE 38 HN ILE 38 -4.097 4.707 12.448 265 HA ILE 38 HA ILE 38 -3.290 6.594 14.400 266 HB ILE 38 HB ILE 38 -5.344 6.467 12.230 267 HG12 ILE 38 HG1 ILE 38 -3.187 8.524 12.731 268 HG23 ILE 38 HG2 ILE 38 -5.175 8.622 14.353 269 HD11 ILE 38 HD1 ILE 38 -4.906 7.637 10.389 270 H GLU 39 HN GLU 39 -4.193 7.154 16.357 271 HA GLU 39 HA GLU 39 -5.137 5.762 18.138 272 HB2 GLU 39 HB2 GLU 39 -5.319 8.172 18.367 273 HB3 GLU 39 HB3 GLU 39 -6.654 8.244 17.235 274 HG2 GLU 39 HG2 GLU 39 -8.060 8.055 19.006 275 HG3 GLU 39 HG3 GLU 39 -7.526 6.394 19.173 276 HE2 GLU 39 HE2 GLU 39 -5.815 6.139 21.108 277 H GLY 40 HN GLY 40 -5.919 3.700 17.414 278 HA2 GLY 40 HA1 GLY 40 -7.429 2.269 16.422 279 HA3 GLY 40 HA2 GLY 40 -8.373 2.908 17.751 280 H PHE 41 HN PHE 41 -7.450 3.693 14.326 281 HA PHE 41 HA PHE 41 -9.491 5.513 13.876 282 HB2 PHE 41 HB2 PHE 41 -7.531 5.177 12.393 283 HB3 PHE 41 HB3 PHE 41 -7.962 3.499 12.132 284 HD1 PHE 41 HD1 PHE 41 -8.751 6.967 11.257 285 HD2 PHE 41 HD2 PHE 41 -9.706 2.890 10.566 286 HE1 PHE 41 HE1 PHE 41 -10.037 7.615 9.202 287 HE2 PHE 41 HE2 PHE 41 -10.992 3.538 8.511 288 HZ PHE 41 HZ PHE 41 -11.142 5.894 7.853 289 H GLY 42 HN GLY 42 -11.670 5.258 13.859 290 HA2 GLY 42 HA1 GLY 42 -12.718 2.562 13.244 291 HA3 GLY 42 HA2 GLY 42 -13.470 3.721 14.322 292 H LYS 43 HN LYS 43 -15.216 2.893 12.547 293 HA LYS 43 HA LYS 43 -15.126 4.013 9.996 294 HB2 LYS 43 HB2 LYS 43 -17.570 3.318 11.651 295 HB3 LYS 43 HB3 LYS 43 -17.501 3.487 9.908 296 HG2 LYS 43 HG2 LYS 43 -16.071 1.386 11.598 297 HG3 LYS 43 HG3 LYS 43 -17.383 1.110 10.471 298 HD2 LYS 43 HD2 LYS 43 -15.800 0.708 8.893 299 HD3 LYS 43 HD3 LYS 43 -15.475 2.430 8.899 300 HE2 LYS 43 HE2 LYS 43 -13.383 1.165 9.261 301 HE3 LYS 43 HE3 LYS 43 -13.762 2.124 10.679 302 HZ1 LYS 43 HZ1 LYS 43 -14.595 -0.712 10.471 303 HZ2 LYS 43 HZ2 LYS 43 -13.148 -0.290 11.088 304 H GLU 44 HN GLU 44 -16.298 5.269 13.154 305 HA GLU 44 HA GLU 44 -17.626 7.463 12.265 306 HB2 GLU 44 HB2 GLU 44 -17.414 8.314 14.475 307 HB3 GLU 44 HB3 GLU 44 -17.342 6.573 14.661 308 HG2 GLU 44 HG2 GLU 44 -14.860 8.337 14.429 309 HG3 GLU 44 HG3 GLU 44 -15.574 7.878 15.963 310 HE2 GLU 44 HE2 GLU 44 -13.387 6.071 16.240 311 H MET 45 HN MET 45 -14.087 6.992 12.749 312 HA MET 45 HA MET 45 -13.403 9.653 12.312 313 HB2 MET 45 HB2 MET 45 -12.107 7.046 12.655 314 HB3 MET 45 HB3 MET 45 -11.287 7.939 11.390 315 HG2 MET 45 HG2 MET 45 -10.167 8.653 13.352 316 HG3 MET 45 HG3 MET 45 -11.302 9.955 13.056 317 HE1 MET 45 HE1 MET 45 -13.450 10.109 16.041 318 HE2 MET 45 HE2 MET 45 -12.215 10.981 15.101 319 HE3 MET 45 HE3 MET 45 -13.599 10.229 14.271 320 H ALA 46 HN ALA 46 -13.689 6.809 10.102 321 HA ALA 46 HA ALA 46 -12.598 7.781 7.829 322 HB1 ALA 46 HB1 ALA 46 -14.632 5.820 8.588 323 HB2 ALA 46 HB2 ALA 46 -14.948 6.519 6.982 324 HB3 ALA 46 HB3 ALA 46 -13.388 5.733 7.318 325 H HIS 47 HN HIS 47 -15.595 8.688 9.385 326 HA HIS 47 HA HIS 47 -16.045 10.771 7.273 327 HB2 HIS 47 HB2 HIS 47 -18.238 9.726 9.102 328 HB3 HIS 47 HB3 HIS 47 -18.353 10.502 7.464 329 HD1 HIS 47 HD1 HIS 47 -18.823 7.413 9.043 330 HD2 HIS 47 HD2 HIS 47 -17.081 8.557 5.420 331 HE1 HIS 47 HE1 HIS 47 -18.832 5.314 7.547 332 H GLY 48 HN GLY 48 -14.227 10.932 9.625 333 HA2 GLY 48 HA1 GLY 48 -15.662 12.944 11.245 334 HA3 GLY 48 HA2 GLY 48 -14.284 12.003 11.774 335 H LYS 49 HN LYS 49 -12.609 13.425 12.073 336 HA LYS 49 HA LYS 49 -12.164 15.384 9.933 337 HB2 LYS 49 HB2 LYS 49 -11.911 15.495 12.896 338 HB3 LYS 49 HB3 LYS 49 -10.673 16.326 11.976 339 HG2 LYS 49 HG2 LYS 49 -12.136 17.916 11.169 340 HG3 LYS 49 HG3 LYS 49 -13.452 16.773 10.992 341 HD2 LYS 49 HD2 LYS 49 -14.358 17.472 12.947 342 HD3 LYS 49 HD3 LYS 49 -12.902 17.015 13.809 343 HE2 LYS 49 HE2 LYS 49 -12.520 19.510 12.291 344 HE3 LYS 49 HE3 LYS 49 -13.863 19.638 13.411 345 HZ1 LYS 49 HZ1 LYS 49 -11.622 18.345 14.628 346 HZ2 LYS 49 HZ2 LYS 49 -11.203 19.817 14.071 347 H GLY 50 HN GLY 50 -11.412 12.811 9.326 348 HA2 GLY 50 HA1 GLY 50 -8.544 13.113 9.123 349 HA3 GLY 50 HA2 GLY 50 -9.056 11.759 10.110 350 H CYS 51 HN CYS 51 -10.747 13.125 7.224 351 HA CYS 51 HA CYS 51 -9.763 11.346 5.360 352 HB2 CYS 51 HB2 CYS 51 -11.107 9.830 7.101 353 HB3 CYS 51 HB3 CYS 51 -12.462 10.332 6.111 354 H LYS 52 HN LYS 52 -13.195 12.132 6.287 355 HA LYS 52 HA LYS 52 -13.486 13.513 3.752 356 HB2 LYS 52 HB2 LYS 52 -15.149 11.823 4.527 357 HB3 LYS 52 HB3 LYS 52 -15.551 12.866 5.876 358 HG2 LYS 52 HG2 LYS 52 -15.805 14.674 3.854 359 HG3 LYS 52 HG3 LYS 52 -16.159 13.211 2.955 360 HD2 LYS 52 HD2 LYS 52 -18.295 13.599 3.725 361 HD3 LYS 52 HD3 LYS 52 -17.712 12.731 5.131 362 HE2 LYS 52 HE2 LYS 52 -16.864 15.300 5.713 363 HE3 LYS 52 HE3 LYS 52 -18.336 15.629 4.820 364 HZ1 LYS 52 HZ1 LYS 52 -18.037 14.366 7.412 365 HZ2 LYS 52 HZ2 LYS 52 -19.284 15.238 6.833 366 H GLY 53 HN GLY 53 -13.890 14.141 7.301 367 HA2 GLY 53 HA1 GLY 53 -14.703 16.681 7.406 368 HA3 GLY 53 HA2 GLY 53 -13.439 16.052 8.445 369 H CYS 54 HN CYS 54 -11.385 15.598 6.460 370 HA CYS 54 HA CYS 54 -10.206 18.092 6.416 371 HB2 CYS 54 HB2 CYS 54 -9.473 15.457 5.738 372 HB3 CYS 54 HB3 CYS 54 -9.194 16.398 4.287 373 H HIS 55 HN HIS 55 -10.999 16.220 3.495 374 HA HIS 55 HA HIS 55 -10.992 18.124 1.554 375 HB2 HIS 55 HB2 HIS 55 -13.261 16.083 1.748 376 HB3 HIS 55 HB3 HIS 55 -12.431 16.731 0.268 377 HD1 HIS 55 HD1 HIS 55 -12.708 13.775 2.011 378 HD2 HIS 55 HD2 HIS 55 -9.398 15.906 0.607 379 HE1 HIS 55 HE1 HIS 55 -10.784 12.071 1.823 380 H GLU 56 HN GLU 56 -13.781 17.534 3.829 381 HA GLU 56 HA GLU 56 -15.512 19.325 2.744 382 HB2 GLU 56 HB2 GLU 56 -16.418 18.021 4.454 383 HB3 GLU 56 HB3 GLU 56 -15.044 18.255 5.517 384 HG2 GLU 56 HG2 GLU 56 -15.725 20.630 5.888 385 HG3 GLU 56 HG3 GLU 56 -17.088 20.414 4.807 386 HE2 GLU 56 HE2 GLU 56 -18.444 17.946 7.115 387 H GLU 57 HN GLU 57 -12.882 19.905 5.163 388 HA GLU 57 HA GLU 57 -13.475 22.712 5.121 389 HB2 GLU 57 HB2 GLU 57 -12.245 20.905 6.950 390 HB3 GLU 57 HB3 GLU 57 -10.996 22.042 6.486 391 HG2 GLU 57 HG2 GLU 57 -11.906 23.537 7.927 392 HG3 GLU 57 HG3 GLU 57 -13.294 23.647 6.862 393 HE2 GLU 57 HE2 GLU 57 -13.456 21.770 10.329 394 H MET 58 HN MET 58 -10.762 20.489 4.201 395 HA MET 58 HA MET 58 -9.045 22.407 3.282 396 HB2 MET 58 HB2 MET 58 -9.162 19.614 3.402 397 HB3 MET 58 HB3 MET 58 -9.168 19.893 1.672 398 HG2 MET 58 HG2 MET 58 -6.883 19.956 1.934 399 HG3 MET 58 HG3 MET 58 -7.175 21.623 2.388 400 HE1 MET 58 HE1 MET 58 -5.003 21.770 3.722 401 HE2 MET 58 HE2 MET 58 -6.353 22.594 4.538 402 HE3 MET 58 HE3 MET 58 -5.200 21.624 5.485 403 H LYS 59 HN LYS 59 -12.102 21.389 1.970 404 HA LYS 59 HA LYS 59 -13.224 21.942 0.153 405 HB2 LYS 59 HB2 LYS 59 -12.082 24.242 0.936 406 HB3 LYS 59 HB3 LYS 59 -11.336 24.109 -0.645 407 HG2 LYS 59 HG2 LYS 59 -13.250 24.895 -1.568 408 HG3 LYS 59 HG3 LYS 59 -14.059 23.424 -1.065 409 HD2 LYS 59 HD2 LYS 59 -14.616 24.446 1.129 410 HD3 LYS 59 HD3 LYS 59 -13.736 25.900 0.698 411 HE2 LYS 59 HE2 LYS 59 -16.130 24.834 -0.875 412 HE3 LYS 59 HE3 LYS 59 -16.250 26.065 0.366 413 HZ1 LYS 59 HZ1 LYS 59 -15.290 27.612 -0.992 414 HZ2 LYS 59 HZ2 LYS 59 -14.270 26.565 -1.711 415 H LYS 60 HN LYS 60 -10.561 20.246 0.158 416 HA LYS 60 HA LYS 60 -10.539 19.989 -2.758 417 HB2 LYS 60 HB2 LYS 60 -8.060 19.530 -2.586 418 HB3 LYS 60 HB3 LYS 60 -8.549 21.199 -2.377 419 HG2 LYS 60 HG2 LYS 60 -8.475 20.890 0.119 420 HG3 LYS 60 HG3 LYS 60 -7.939 19.238 -0.114 421 HD2 LYS 60 HD2 LYS 60 -5.968 20.599 0.294 422 HD3 LYS 60 HD3 LYS 60 -5.935 20.107 -1.388 423 HE2 LYS 60 HE2 LYS 60 -7.276 22.724 -0.685 424 HE3 LYS 60 HE3 LYS 60 -5.524 22.660 -0.685 425 HZ1 LYS 60 HZ1 LYS 60 -5.662 22.892 -2.904 426 HZ2 LYS 60 HZ2 LYS 60 -6.297 21.396 -3.017 427 H GLY 61 HN GLY 61 -10.812 17.914 -3.453 428 HA2 GLY 61 HA1 GLY 61 -10.217 15.584 -3.142 429 HA3 GLY 61 HA2 GLY 61 -10.500 15.784 -1.424 430 HA PRO 62 HA PRO 62 -14.490 14.530 -3.525 431 HB2 PRO 62 HB2 PRO 62 -14.357 11.795 -3.417 432 HB3 PRO 62 HB3 PRO 62 -13.603 12.745 -4.739 433 HG2 PRO 62 HG2 PRO 62 -12.014 11.333 -2.425 434 HG3 PRO 62 HG3 PRO 62 -11.976 11.839 -4.145 435 HD2 PRO 62 HD2 PRO 62 -11.115 13.298 -1.687 436 HD3 PRO 62 HD3 PRO 62 -10.741 13.656 -3.400 437 H THR 63 HN THR 63 -16.370 14.207 -2.246 438 HA THR 63 HA THR 63 -15.843 13.238 0.487 439 HB THR 63 HB THR 63 -18.100 15.094 0.235 440 HG1 THR 63 HG1 THR 63 -16.555 16.898 -0.306 441 HG21 THR 63 HG2 THR 63 -17.229 15.149 2.396 442 H LYS 64 HN LYS 64 -17.508 12.813 -2.483 443 HA LYS 64 HA LYS 64 -19.907 11.739 -1.458 444 HB2 LYS 64 HB2 LYS 64 -18.496 11.520 -4.126 445 HB3 LYS 64 HB3 LYS 64 -20.031 10.739 -3.803 446 HG2 LYS 64 HG2 LYS 64 -20.621 13.237 -2.886 447 HG3 LYS 64 HG3 LYS 64 -19.404 13.661 -4.073 448 HD2 LYS 64 HD2 LYS 64 -20.917 11.837 -5.500 449 HD3 LYS 64 HD3 LYS 64 -22.144 12.563 -4.479 450 HE2 LYS 64 HE2 LYS 64 -22.161 14.435 -5.761 451 HE3 LYS 64 HE3 LYS 64 -20.449 14.682 -5.482 452 HZ1 LYS 64 HZ1 LYS 64 -21.731 13.231 -7.698 453 HZ2 LYS 64 HZ2 LYS 64 -20.550 14.350 -7.766 454 H CYS 65 HN CYS 65 -20.565 9.470 -1.413 455 HA CYS 65 HA CYS 65 -18.639 7.894 -0.116 456 HB2 CYS 65 HB2 CYS 65 -21.032 6.556 -1.230 457 HB3 CYS 65 HB3 CYS 65 -20.340 6.487 0.378 458 H GLY 66 HN GLY 66 -20.463 7.340 -3.228 459 HA2 GLY 66 HA1 GLY 66 -19.176 5.213 -4.247 460 HA3 GLY 66 HA2 GLY 66 -19.729 6.559 -5.223 461 H GLU 67 HN GLU 67 -17.804 8.444 -3.724 462 HA GLU 67 HA GLU 67 -15.662 8.052 -5.532 463 HB2 GLU 67 HB2 GLU 67 -16.136 10.067 -3.297 464 HB3 GLU 67 HB3 GLU 67 -14.730 10.112 -4.342 465 HG2 GLU 67 HG2 GLU 67 -17.574 10.098 -5.442 466 HG3 GLU 67 HG3 GLU 67 -16.736 11.582 -5.037 467 HE2 GLU 67 HE2 GLU 67 -17.538 10.465 -7.593 468 H CYS 68 HN CYS 68 -16.139 7.783 -1.962 469 HA CYS 68 HA CYS 68 -13.405 6.959 -1.617 470 HB2 CYS 68 HB2 CYS 68 -15.654 7.731 0.150 471 HB3 CYS 68 HB3 CYS 68 -14.597 6.492 0.796 472 H HIS 69 HN HIS 69 -16.706 5.674 -1.490 473 HA HIS 69 HA HIS 69 -15.677 2.888 -1.210 474 HB2 HIS 69 HB2 HIS 69 -18.488 4.096 -0.955 475 HB3 HIS 69 HB3 HIS 69 -18.074 2.340 -0.746 476 HD1 HIS 69 HD1 HIS 69 -16.254 1.946 1.231 477 HD2 HIS 69 HD2 HIS 69 -18.495 5.472 1.392 478 HE1 HIS 69 HE1 HIS 69 -16.120 2.772 3.669 479 H LYS 70 HN LYS 70 -16.259 1.223 -2.712 480 HA LYS 70 HA LYS 70 -17.080 2.298 -5.322 481 HB2 LYS 70 HB2 LYS 70 -14.703 1.001 -4.607 482 HB3 LYS 70 HB3 LYS 70 -15.647 -0.235 -5.416 483 HG2 LYS 70 HG2 LYS 70 -15.231 2.565 -6.562 484 HG3 LYS 70 HG3 LYS 70 -14.190 1.209 -6.947 485 HD2 LYS 70 HD2 LYS 70 -16.820 0.223 -7.331 486 HD3 LYS 70 HD3 LYS 70 -16.858 1.848 -7.985 487 HE2 LYS 70 HE2 LYS 70 -14.861 -0.340 -8.735 488 HE3 LYS 70 HE3 LYS 70 -16.183 0.231 -9.732 489 HZ1 LYS 70 HZ1 LYS 70 -13.835 1.838 -8.880 490 HZ2 LYS 70 HZ2 LYS 70 -14.163 1.339 -10.395 491 H LYS 71 HN LYS 71 -19.065 1.683 -5.968 492 HA LYS 71 HA LYS 71 -19.999 -0.939 -5.034 493 HB2 LYS 71 HB2 LYS 71 -21.243 0.497 -3.688 494 HB3 LYS 71 HB3 LYS 71 -21.375 1.730 -4.925 495 HG2 LYS 71 HG2 LYS 71 -23.090 0.607 -6.072 496 HG3 LYS 71 HG3 LYS 71 -22.589 -0.972 -5.498 497 HD2 LYS 71 HD2 LYS 71 -23.264 0.469 -3.149 498 HD3 LYS 71 HD3 LYS 71 -24.499 0.909 -4.311 499 HE2 LYS 71 HE2 LYS 71 -23.974 -1.954 -4.484 500 HE3 LYS 71 HE3 LYS 71 -24.305 -1.518 -2.819 501 HZ1 LYS 71 HZ1 LYS 71 -26.055 -0.547 -4.996 502 HZ2 LYS 71 HZ2 LYS 71 -26.297 -2.013 -4.329 Start of MODEL 16 1 H1 ALA 1 HN ALA 1 2.395 -0.098 1.594 2 HA ALA 1 HA ALA 1 4.043 1.547 1.088 3 HB1 ALA 1 HB1 ALA 1 4.303 -0.481 -0.174 4 HB2 ALA 1 HB2 ALA 1 3.013 -0.014 -1.309 5 HB3 ALA 1 HB3 ALA 1 4.559 0.869 -1.306 6 H ASP 2 HN ASP 2 1.819 1.629 -1.774 7 HA ASP 2 HA ASP 2 2.033 4.529 -1.604 8 HB2 ASP 2 HB2 ASP 2 1.270 4.339 -4.091 9 HB3 ASP 2 HB3 ASP 2 2.923 3.907 -3.699 10 HD2 ASP 2 HD2 ASP 2 1.937 2.983 -5.923 11 H ASP 3 HN ASP 3 -0.127 1.742 -2.498 12 HA ASP 3 HA ASP 3 -2.401 3.500 -2.051 13 HB2 ASP 3 HB2 ASP 3 -2.379 0.720 -3.308 14 HB3 ASP 3 HB3 ASP 3 -3.708 1.862 -3.324 15 HD2 ASP 3 HD2 ASP 3 -3.042 1.010 -5.681 16 H ILE 4 HN ILE 4 -3.817 3.027 -0.317 17 HA ILE 4 HA ILE 4 -3.304 0.509 1.108 18 HB ILE 4 HB ILE 4 -4.104 3.074 2.455 19 HG12 ILE 4 HG1 ILE 4 -1.471 2.343 1.360 20 HG23 ILE 4 HG2 ILE 4 -2.812 0.525 3.463 21 HD11 ILE 4 HD1 ILE 4 -1.788 3.274 4.252 22 H VAL 5 HN VAL 5 -5.024 -0.817 0.976 23 HA VAL 5 HA VAL 5 -7.603 0.366 0.346 24 HB VAL 5 HB VAL 5 -6.640 -2.500 0.466 25 HG13 VAL 5 HG1 VAL 5 -8.720 -3.127 -0.581 26 HG21 VAL 5 HG2 VAL 5 -7.413 -1.539 -2.152 27 H LEU 6 HN LEU 6 -9.189 0.675 1.832 28 HA LEU 6 HA LEU 6 -8.671 -0.382 4.507 29 HB2 LEU 6 HB2 LEU 6 -10.489 1.835 3.553 30 HB3 LEU 6 HB3 LEU 6 -10.318 1.315 5.219 31 HG LEU 6 HG LEU 6 -7.892 2.210 3.687 32 HD13 LEU 6 HD1 LEU 6 -10.093 3.842 3.805 33 HD21 LEU 6 HD2 LEU 6 -6.889 1.969 5.649 34 H LYS 7 HN LYS 7 -9.329 -2.568 4.045 35 HA LYS 7 HA LYS 7 -11.486 -3.478 2.784 36 HB2 LYS 7 HB2 LYS 7 -9.779 -4.394 4.910 37 HB3 LYS 7 HB3 LYS 7 -11.423 -4.900 5.244 38 HG2 LYS 7 HG2 LYS 7 -10.832 -5.255 2.406 39 HG3 LYS 7 HG3 LYS 7 -9.606 -6.050 3.375 40 HD2 LYS 7 HD2 LYS 7 -12.137 -6.623 4.606 41 HD3 LYS 7 HD3 LYS 7 -12.343 -6.877 2.885 42 HE2 LYS 7 HE2 LYS 7 -10.388 -8.392 2.831 43 HE3 LYS 7 HE3 LYS 7 -10.053 -8.070 4.520 44 HZ1 LYS 7 HZ1 LYS 7 -11.944 -9.890 3.419 45 HZ2 LYS 7 HZ2 LYS 7 -11.435 -9.773 4.961 46 H ALA 8 HN ALA 8 -13.557 -2.810 2.692 47 HA ALA 8 HA ALA 8 -14.770 -1.944 5.230 48 HB1 ALA 8 HB1 ALA 8 -15.890 -0.227 4.098 49 HB2 ALA 8 HB2 ALA 8 -14.295 -0.228 3.307 50 HB3 ALA 8 HB3 ALA 8 -15.685 -1.003 2.509 51 H LYS 9 HN LYS 9 -17.101 -2.422 5.437 52 HA LYS 9 HA LYS 9 -17.668 -4.997 4.226 53 HB2 LYS 9 HB2 LYS 9 -18.881 -3.453 6.527 54 HB3 LYS 9 HB3 LYS 9 -19.595 -4.924 5.896 55 HG2 LYS 9 HG2 LYS 9 -17.647 -6.235 6.452 56 HG3 LYS 9 HG3 LYS 9 -16.666 -4.808 6.722 57 HD2 LYS 9 HD2 LYS 9 -17.187 -5.395 8.924 58 HD3 LYS 9 HD3 LYS 9 -18.465 -4.245 8.587 59 HE2 LYS 9 HE2 LYS 9 -19.498 -6.699 7.650 60 HE3 LYS 9 HE3 LYS 9 -18.655 -7.132 9.124 61 HZ1 LYS 9 HZ1 LYS 9 -21.111 -5.779 8.888 62 HZ2 LYS 9 HZ2 LYS 9 -20.367 -6.255 10.256 63 H ASN 10 HN ASN 10 -18.078 -1.776 3.413 64 HA ASN 10 HA ASN 10 -20.335 -2.517 1.757 65 HB2 ASN 10 HB2 ASN 10 -21.456 -1.268 3.487 66 HB3 ASN 10 HB3 ASN 10 -20.153 -0.103 3.609 67 HD21 ASN 10 HD2 ASN 10 -22.052 2.100 1.713 68 H GLY 11 HN GLY 11 -18.176 -2.655 0.404 69 HA2 GLY 11 HA1 GLY 11 -17.206 -1.765 -1.460 70 HA3 GLY 11 HA2 GLY 11 -17.917 -0.204 -1.104 71 H ASP 12 HN ASP 12 -15.008 -1.712 -1.436 72 HA ASP 12 HA ASP 12 -13.636 -0.913 0.849 73 HB2 ASP 12 HB2 ASP 12 -12.253 -0.997 -1.827 74 HB3 ASP 12 HB3 ASP 12 -11.710 -1.631 -0.286 75 HD2 ASP 12 HD2 ASP 12 -12.781 -4.062 -2.853 76 H VAL 13 HN VAL 13 -11.660 0.753 0.580 77 HA VAL 13 HA VAL 13 -12.594 3.065 -0.972 78 HB VAL 13 HB VAL 13 -11.494 3.020 1.846 79 HG13 VAL 13 HG1 VAL 13 -12.407 5.578 1.368 80 HG21 VAL 13 HG2 VAL 13 -14.243 3.492 0.694 81 H LYS 14 HN LYS 14 -11.116 3.665 -2.463 82 HA LYS 14 HA LYS 14 -8.452 2.567 -2.250 83 HB2 LYS 14 HB2 LYS 14 -10.178 3.682 -4.374 84 HB3 LYS 14 HB3 LYS 14 -8.480 4.084 -4.529 85 HG2 LYS 14 HG2 LYS 14 -9.138 1.915 -5.663 86 HG3 LYS 14 HG3 LYS 14 -7.825 1.751 -4.514 87 HD2 LYS 14 HD2 LYS 14 -9.860 1.264 -2.811 88 HD3 LYS 14 HD3 LYS 14 -10.678 0.803 -4.291 89 HE2 LYS 14 HE2 LYS 14 -7.894 -0.266 -3.887 90 HE3 LYS 14 HE3 LYS 14 -9.154 -0.931 -2.866 91 HZ1 LYS 14 HZ1 LYS 14 -8.693 -1.444 -5.611 92 HZ2 LYS 14 HZ2 LYS 14 -9.745 -2.187 -4.615 93 H PHE 15 HN PHE 15 -7.309 3.614 -0.643 94 HA PHE 15 HA PHE 15 -7.215 6.536 -0.867 95 HB2 PHE 15 HB2 PHE 15 -8.014 5.370 1.293 96 HB3 PHE 15 HB3 PHE 15 -6.434 4.621 1.413 97 HD1 PHE 15 HD1 PHE 15 -7.546 8.112 0.665 98 HD2 PHE 15 HD2 PHE 15 -5.244 5.553 3.146 99 HE1 PHE 15 HE1 PHE 15 -6.699 10.105 1.935 100 HE2 PHE 15 HE2 PHE 15 -4.398 7.546 4.416 101 HZ PHE 15 HZ PHE 15 -5.134 9.798 3.794 102 HA PRO 16 HA PRO 16 -3.054 5.621 -2.255 103 HB2 PRO 16 HB2 PRO 16 -2.735 7.944 -3.663 104 HB3 PRO 16 HB3 PRO 16 -3.766 6.600 -4.253 105 HG2 PRO 16 HG2 PRO 16 -4.886 9.306 -3.041 106 HG3 PRO 16 HG3 PRO 16 -5.068 8.015 -4.273 107 HD2 PRO 16 HD2 PRO 16 -6.125 8.172 -1.501 108 HD3 PRO 16 HD3 PRO 16 -6.535 7.003 -2.794 109 H HIS 17 HN HIS 17 -2.008 5.714 -0.268 110 HA HIS 17 HA HIS 17 -1.808 8.074 1.355 111 HB2 HIS 17 HB2 HIS 17 -1.546 5.660 2.059 112 HB3 HIS 17 HB3 HIS 17 0.079 5.659 1.246 113 HD1 HIS 17 HD1 HIS 17 1.968 6.451 2.559 114 HD2 HIS 17 HD2 HIS 17 -1.660 7.441 4.383 115 HE1 HIS 17 HE1 HIS 17 2.565 7.384 4.886 116 H LYS 18 HN LYS 18 0.662 6.504 -0.856 117 HA LYS 18 HA LYS 18 2.612 8.386 -0.627 118 HB2 LYS 18 HB2 LYS 18 3.128 6.435 -1.806 119 HB3 LYS 18 HB3 LYS 18 1.750 6.584 -2.877 120 HG2 LYS 18 HG2 LYS 18 2.821 8.067 -4.283 121 HG3 LYS 18 HG3 LYS 18 3.654 8.878 -2.973 122 HD2 LYS 18 HD2 LYS 18 4.703 6.217 -3.062 123 HD3 LYS 18 HD3 LYS 18 4.629 6.768 -4.723 124 HE2 LYS 18 HE2 LYS 18 5.623 9.006 -3.330 125 HE3 LYS 18 HE3 LYS 18 6.405 7.649 -2.543 126 HZ1 LYS 18 HZ1 LYS 18 6.773 8.626 -5.235 127 HZ2 LYS 18 HZ2 LYS 18 7.804 7.776 -4.304 128 H ALA 19 HN ALA 19 -0.549 8.663 -2.160 129 HA ALA 19 HA ALA 19 0.163 10.971 -3.700 130 HB1 ALA 19 HB1 ALA 19 -1.598 9.369 -4.389 131 HB2 ALA 19 HB2 ALA 19 -2.543 9.797 -2.941 132 HB3 ALA 19 HB3 ALA 19 -2.245 11.017 -4.203 133 H HIS 20 HN HIS 20 -1.370 10.212 -0.618 134 HA HIS 20 HA HIS 20 -1.957 13.025 -0.001 135 HB2 HIS 20 HB2 HIS 20 -2.386 10.315 1.289 136 HB3 HIS 20 HB3 HIS 20 -2.469 11.809 2.318 137 HD1 HIS 20 HD1 HIS 20 -4.075 10.332 -0.771 138 HD2 HIS 20 HD2 HIS 20 -4.915 13.038 2.301 139 HE1 HIS 20 HE1 HIS 20 -6.550 10.993 -1.053 140 H GLN 21 HN GLN 21 0.920 11.798 -0.456 141 HA GLN 21 HA GLN 21 2.023 12.579 2.114 142 HB2 GLN 21 HB2 GLN 21 2.691 10.553 0.197 143 HB3 GLN 21 HB3 GLN 21 4.035 11.677 0.242 144 HG2 GLN 21 HG2 GLN 21 4.611 11.121 2.398 145 HG3 GLN 21 HG3 GLN 21 2.944 10.989 2.924 146 HE21 GLN 21 HE2 GLN 21 3.488 7.557 3.208 147 H LYS 22 HN LYS 22 1.300 13.822 -0.981 148 HA LYS 22 HA LYS 22 3.405 15.852 -0.693 149 HB2 LYS 22 HB2 LYS 22 2.490 14.291 -2.996 150 HB3 LYS 22 HB3 LYS 22 2.468 16.016 -3.303 151 HG2 LYS 22 HG2 LYS 22 4.764 16.219 -3.153 152 HG3 LYS 22 HG3 LYS 22 4.896 15.031 -1.873 153 HD2 LYS 22 HD2 LYS 22 5.938 14.053 -3.815 154 HD3 LYS 22 HD3 LYS 22 4.411 13.219 -3.602 155 HE2 LYS 22 HE2 LYS 22 3.934 15.553 -5.244 156 HE3 LYS 22 HE3 LYS 22 5.320 14.703 -5.898 157 HZ1 LYS 22 HZ1 LYS 22 4.023 12.958 -6.503 158 HZ2 LYS 22 HZ2 LYS 22 3.124 12.972 -5.145 159 H ALA 23 HN ALA 23 -0.026 15.083 -0.897 160 HA ALA 23 HA ALA 23 -0.913 17.694 -1.519 161 HB1 ALA 23 HB1 ALA 23 -3.044 16.792 -1.239 162 HB2 ALA 23 HB2 ALA 23 -2.091 15.337 -1.613 163 HB3 ALA 23 HB3 ALA 23 -2.527 15.706 0.073 164 H VAL 24 HN VAL 24 0.754 16.479 1.160 165 HA VAL 24 HA VAL 24 -0.282 18.679 2.799 166 HB VAL 24 HB VAL 24 0.678 16.204 4.136 167 HG13 VAL 24 HG1 VAL 24 -1.312 18.404 4.686 168 HG21 VAL 24 HG2 VAL 24 -1.777 15.381 4.056 169 HA PRO 25 HA PRO 25 3.798 20.270 2.252 170 HB2 PRO 25 HB2 PRO 25 3.074 21.103 5.101 171 HB3 PRO 25 HB3 PRO 25 3.902 22.019 3.800 172 HG2 PRO 25 HG2 PRO 25 1.347 22.167 4.328 173 HG3 PRO 25 HG3 PRO 25 1.670 22.508 2.597 174 HD2 PRO 25 HD2 PRO 25 0.232 20.260 3.787 175 HD3 PRO 25 HD3 PRO 25 0.572 20.549 2.054 176 H ASP 26 HN ASP 26 3.206 19.313 5.733 177 HA ASP 26 HA ASP 26 5.341 17.375 5.352 178 HB2 ASP 26 HB2 ASP 26 6.078 19.567 6.508 179 HB3 ASP 26 HB3 ASP 26 5.031 19.114 7.838 180 HD2 ASP 26 HD2 ASP 26 6.722 17.513 9.490 181 H CYS 27 HN CYS 27 2.416 17.047 5.370 182 HA CYS 27 HA CYS 27 0.718 16.147 6.503 183 HB2 CYS 27 HB2 CYS 27 1.106 13.853 7.110 184 HB3 CYS 27 HB3 CYS 27 1.982 14.242 5.643 185 H LYS 28 HN LYS 28 1.379 14.290 8.952 186 HA LYS 28 HA LYS 28 1.661 14.444 11.158 187 HB2 LYS 28 HB2 LYS 28 3.537 16.075 10.603 188 HB3 LYS 28 HB3 LYS 28 2.388 17.368 10.882 189 HG2 LYS 28 HG2 LYS 28 2.642 15.216 12.984 190 HG3 LYS 28 HG3 LYS 28 3.921 16.407 12.865 191 HD2 LYS 28 HD2 LYS 28 1.235 17.633 12.759 192 HD3 LYS 28 HD3 LYS 28 1.493 16.724 14.235 193 HE2 LYS 28 HE2 LYS 28 3.734 17.970 14.476 194 HE3 LYS 28 HE3 LYS 28 3.218 18.997 13.153 195 HZ1 LYS 28 HZ1 LYS 28 2.037 20.171 14.638 196 HZ2 LYS 28 HZ2 LYS 28 1.108 18.880 14.985 197 H LYS 29 HN LYS 29 -0.448 16.207 9.166 198 HA LYS 29 HA LYS 29 -1.984 17.466 11.199 199 HB2 LYS 29 HB2 LYS 29 -1.811 18.085 8.721 200 HB3 LYS 29 HB3 LYS 29 -2.902 16.750 8.409 201 HG2 LYS 29 HG2 LYS 29 -4.649 17.734 9.775 202 HG3 LYS 29 HG3 LYS 29 -3.552 18.925 10.444 203 HD2 LYS 29 HD2 LYS 29 -4.189 18.772 7.464 204 HD3 LYS 29 HD3 LYS 29 -5.125 19.749 8.580 205 HE2 LYS 29 HE2 LYS 29 -2.097 20.022 8.363 206 HE3 LYS 29 HE3 LYS 29 -3.181 20.921 7.320 207 HZ1 LYS 29 HZ1 LYS 29 -3.368 22.382 8.999 208 HZ2 LYS 29 HZ2 LYS 29 -4.154 21.269 9.890 209 H CYS 30 HN CYS 30 -1.967 14.283 9.567 210 HA CYS 30 HA CYS 30 -4.394 13.559 10.983 211 HB2 CYS 30 HB2 CYS 30 -2.889 11.639 9.237 212 HB3 CYS 30 HB3 CYS 30 -4.613 11.775 9.521 213 H HIS 31 HN HIS 31 -0.932 12.974 10.770 214 HA HIS 31 HA HIS 31 -1.013 11.003 12.999 215 HB2 HIS 31 HB2 HIS 31 1.299 11.933 11.205 216 HB3 HIS 31 HB3 HIS 31 1.334 10.572 12.408 217 HD1 HIS 31 HD1 HIS 31 -1.186 9.112 11.655 218 HD2 HIS 31 HD2 HIS 31 1.502 10.609 8.826 219 HE1 HIS 31 HE1 HIS 31 -1.534 7.711 9.520 220 H GLU 32 HN GLU 32 -1.880 13.382 13.964 221 HA GLU 32 HA GLU 32 -0.233 15.340 14.655 222 HB2 GLU 32 HB2 GLU 32 -2.643 15.093 15.325 223 HB3 GLU 32 HB3 GLU 32 -2.162 13.966 16.577 224 HG2 GLU 32 HG2 GLU 32 -2.073 15.854 17.883 225 HG3 GLU 32 HG3 GLU 32 -0.478 16.030 17.177 226 HE2 GLU 32 HE2 GLU 32 -1.028 18.878 15.804 227 H LYS 33 HN LYS 33 -0.593 12.256 16.556 228 HA LYS 33 HA LYS 33 1.545 12.897 18.289 229 HB2 LYS 33 HB2 LYS 33 -0.469 11.297 18.621 230 HB3 LYS 33 HB3 LYS 33 0.504 10.114 17.771 231 HG2 LYS 33 HG2 LYS 33 2.387 10.962 19.516 232 HG3 LYS 33 HG3 LYS 33 0.973 11.382 20.463 233 HD2 LYS 33 HD2 LYS 33 0.364 8.809 19.522 234 HD3 LYS 33 HD3 LYS 33 2.085 8.718 19.836 235 HE2 LYS 33 HE2 LYS 33 0.609 10.127 21.981 236 HE3 LYS 33 HE3 LYS 33 0.059 8.479 21.753 237 HZ1 LYS 33 HZ1 LYS 33 2.262 9.163 23.159 238 HZ2 LYS 33 HZ2 LYS 33 2.010 7.676 22.545 239 H GLY 34 HN GLY 34 1.242 10.543 15.534 240 HA2 GLY 34 HA1 GLY 34 3.638 11.150 14.315 241 HA3 GLY 34 HA2 GLY 34 4.029 9.948 15.528 242 HA PRO 35 HA PRO 35 2.549 8.032 11.443 243 HB2 PRO 35 HB2 PRO 35 4.801 6.392 11.269 244 HB3 PRO 35 HB3 PRO 35 4.667 8.023 10.534 245 HG2 PRO 35 HG2 PRO 35 6.013 7.363 13.355 246 HG3 PRO 35 HG3 PRO 35 6.608 8.278 11.932 247 HD2 PRO 35 HD2 PRO 35 5.340 9.531 13.991 248 HD3 PRO 35 HD3 PRO 35 5.013 10.014 12.298 249 H GLY 36 HN GLY 36 3.349 5.222 11.336 250 HA2 GLY 36 HA1 GLY 36 3.077 3.232 12.420 251 HA3 GLY 36 HA2 GLY 36 2.751 4.073 13.922 252 H LYS 37 HN LYS 37 0.944 2.563 14.262 253 HA LYS 37 HA LYS 37 -1.256 2.761 12.398 254 HB2 LYS 37 HB2 LYS 37 -0.775 1.147 14.911 255 HB3 LYS 37 HB3 LYS 37 -2.312 1.153 14.070 256 HG2 LYS 37 HG2 LYS 37 -1.401 0.146 12.120 257 HG3 LYS 37 HG3 LYS 37 0.238 0.619 12.519 258 HD2 LYS 37 HD2 LYS 37 -0.111 -0.930 14.644 259 HD3 LYS 37 HD3 LYS 37 -1.423 -1.619 13.710 260 HE2 LYS 37 HE2 LYS 37 0.027 -2.423 12.008 261 HE3 LYS 37 HE3 LYS 37 1.305 -1.299 12.427 262 HZ1 LYS 37 HZ1 LYS 37 0.500 -3.265 14.453 263 HZ2 LYS 37 HZ2 LYS 37 1.413 -3.788 13.211 264 H ILE 38 HN ILE 38 -2.989 4.096 12.593 265 HA ILE 38 HA ILE 38 -2.909 6.108 14.584 266 HB ILE 38 HB ILE 38 -4.864 5.361 12.421 267 HG12 ILE 38 HG1 ILE 38 -2.849 7.598 12.758 268 HG23 ILE 38 HG2 ILE 38 -6.093 6.336 14.339 269 HD11 ILE 38 HD1 ILE 38 -4.872 7.090 10.526 270 H GLU 39 HN GLU 39 -4.000 6.304 16.510 271 HA GLU 39 HA GLU 39 -4.624 4.270 18.016 272 HB2 GLU 39 HB2 GLU 39 -4.929 6.956 18.270 273 HB3 GLU 39 HB3 GLU 39 -6.619 6.499 18.199 274 HG2 GLU 39 HG2 GLU 39 -5.183 4.662 19.951 275 HG3 GLU 39 HG3 GLU 39 -4.863 6.314 20.442 276 HE2 GLU 39 HE2 GLU 39 -7.757 6.587 22.026 277 H GLY 40 HN GLY 40 -5.582 2.434 17.084 278 HA2 GLY 40 HA1 GLY 40 -7.167 1.286 15.853 279 HA3 GLY 40 HA2 GLY 40 -8.071 1.734 17.286 280 H PHE 41 HN PHE 41 -7.387 2.565 13.874 281 HA PHE 41 HA PHE 41 -8.922 4.818 13.608 282 HB2 PHE 41 HB2 PHE 41 -7.435 3.783 11.874 283 HB3 PHE 41 HB3 PHE 41 -8.479 2.379 11.786 284 HD1 PHE 41 HD1 PHE 41 -11.005 2.945 11.164 285 HD2 PHE 41 HD2 PHE 41 -7.674 5.415 10.262 286 HE1 PHE 41 HE1 PHE 41 -12.313 4.033 9.318 287 HE2 PHE 41 HE2 PHE 41 -8.982 6.503 8.416 288 HZ PHE 41 HZ PHE 41 -11.285 5.799 7.966 289 H GLY 42 HN GLY 42 -11.105 5.218 12.910 290 HA2 GLY 42 HA1 GLY 42 -12.947 2.933 13.212 291 HA3 GLY 42 HA2 GLY 42 -13.200 4.412 14.117 292 H LYS 43 HN LYS 43 -15.081 3.342 12.216 293 HA LYS 43 HA LYS 43 -14.793 4.632 9.715 294 HB2 LYS 43 HB2 LYS 43 -17.437 3.781 10.868 295 HB3 LYS 43 HB3 LYS 43 -16.885 3.734 9.207 296 HG2 LYS 43 HG2 LYS 43 -15.986 1.939 11.501 297 HG3 LYS 43 HG3 LYS 43 -16.853 1.458 10.056 298 HD2 LYS 43 HD2 LYS 43 -14.899 1.128 8.960 299 HD3 LYS 43 HD3 LYS 43 -14.455 2.806 9.204 300 HE2 LYS 43 HE2 LYS 43 -12.804 1.126 10.167 301 HE3 LYS 43 HE3 LYS 43 -13.376 2.320 11.315 302 HZ1 LYS 43 HZ1 LYS 43 -14.185 0.659 12.564 303 HZ2 LYS 43 HZ2 LYS 43 -15.135 0.118 11.358 304 H GLU 44 HN GLU 44 -16.803 5.346 12.656 305 HA GLU 44 HA GLU 44 -18.031 7.564 11.814 306 HB2 GLU 44 HB2 GLU 44 -18.439 8.041 14.068 307 HB3 GLU 44 HB3 GLU 44 -18.013 6.342 14.140 308 HG2 GLU 44 HG2 GLU 44 -15.997 8.597 14.554 309 HG3 GLU 44 HG3 GLU 44 -16.856 7.819 15.870 310 HE2 GLU 44 HE2 GLU 44 -13.560 6.679 15.028 311 H MET 45 HN MET 45 -14.598 7.220 12.764 312 HA MET 45 HA MET 45 -14.095 9.980 12.854 313 HB2 MET 45 HB2 MET 45 -12.720 7.530 13.363 314 HB3 MET 45 HB3 MET 45 -11.781 8.315 12.110 315 HG2 MET 45 HG2 MET 45 -10.809 9.406 13.889 316 HG3 MET 45 HG3 MET 45 -12.199 10.462 13.744 317 HE1 MET 45 HE1 MET 45 -12.120 10.263 17.553 318 HE2 MET 45 HE2 MET 45 -11.042 10.781 16.235 319 HE3 MET 45 HE3 MET 45 -12.763 11.233 16.207 320 H ALA 46 HN ALA 46 -13.841 7.451 10.305 321 HA ALA 46 HA ALA 46 -12.396 8.748 8.409 322 HB1 ALA 46 HB1 ALA 46 -14.825 7.394 7.393 323 HB2 ALA 46 HB2 ALA 46 -13.106 7.042 7.090 324 HB3 ALA 46 HB3 ALA 46 -13.888 6.447 8.574 325 H HIS 47 HN HIS 47 -15.961 8.761 8.559 326 HA HIS 47 HA HIS 47 -16.278 10.957 6.737 327 HB2 HIS 47 HB2 HIS 47 -18.287 10.045 8.855 328 HB3 HIS 47 HB3 HIS 47 -18.602 10.793 7.231 329 HD1 HIS 47 HD1 HIS 47 -19.043 7.780 8.821 330 HD2 HIS 47 HD2 HIS 47 -17.309 8.782 5.152 331 HE1 HIS 47 HE1 HIS 47 -19.123 5.643 7.381 332 H GLY 48 HN GLY 48 -15.189 10.850 10.013 333 HA2 GLY 48 HA1 GLY 48 -16.285 13.309 10.941 334 HA3 GLY 48 HA2 GLY 48 -14.933 12.421 11.614 335 H LYS 49 HN LYS 49 -13.121 13.668 11.704 336 HA LYS 49 HA LYS 49 -12.625 15.427 9.401 337 HB2 LYS 49 HB2 LYS 49 -13.121 16.821 11.259 338 HB3 LYS 49 HB3 LYS 49 -12.144 15.862 12.353 339 HG2 LYS 49 HG2 LYS 49 -10.129 16.736 11.560 340 HG3 LYS 49 HG3 LYS 49 -10.756 17.021 9.949 341 HD2 LYS 49 HD2 LYS 49 -12.002 18.980 10.686 342 HD3 LYS 49 HD3 LYS 49 -11.688 18.620 12.373 343 HE2 LYS 49 HE2 LYS 49 -9.957 20.103 12.127 344 HE3 LYS 49 HE3 LYS 49 -9.112 18.732 11.435 345 HZ1 LYS 49 HZ1 LYS 49 -10.666 19.892 9.408 346 HZ2 LYS 49 HZ2 LYS 49 -9.860 21.105 10.135 347 H GLY 50 HN GLY 50 -11.900 12.810 9.104 348 HA2 GLY 50 HA1 GLY 50 -8.992 13.026 9.143 349 HA3 GLY 50 HA2 GLY 50 -9.689 11.697 10.046 350 H CYS 51 HN CYS 51 -11.324 12.980 7.158 351 HA CYS 51 HA CYS 51 -10.102 11.266 5.307 352 HB2 CYS 51 HB2 CYS 51 -11.662 9.794 6.952 353 HB3 CYS 51 HB3 CYS 51 -12.857 10.271 5.762 354 H LYS 52 HN LYS 52 -13.537 12.221 6.070 355 HA LYS 52 HA LYS 52 -13.661 13.543 3.485 356 HB2 LYS 52 HB2 LYS 52 -15.417 11.903 4.383 357 HB3 LYS 52 HB3 LYS 52 -15.910 13.185 5.472 358 HG2 LYS 52 HG2 LYS 52 -15.764 14.528 3.039 359 HG3 LYS 52 HG3 LYS 52 -16.312 12.940 2.540 360 HD2 LYS 52 HD2 LYS 52 -18.405 13.504 3.201 361 HD3 LYS 52 HD3 LYS 52 -17.835 13.533 4.858 362 HE2 LYS 52 HE2 LYS 52 -17.422 15.939 3.048 363 HE3 LYS 52 HE3 LYS 52 -18.954 15.695 3.861 364 HZ1 LYS 52 HZ1 LYS 52 -16.402 16.442 5.007 365 HZ2 LYS 52 HZ2 LYS 52 -17.903 16.774 5.543 366 H GLY 53 HN GLY 53 -14.414 14.283 6.965 367 HA2 GLY 53 HA1 GLY 53 -15.049 16.844 6.984 368 HA3 GLY 53 HA2 GLY 53 -13.884 16.186 8.115 369 H CYS 54 HN CYS 54 -11.626 15.686 6.566 370 HA CYS 54 HA CYS 54 -10.386 18.094 6.472 371 HB2 CYS 54 HB2 CYS 54 -9.696 15.437 5.912 372 HB3 CYS 54 HB3 CYS 54 -9.312 16.302 4.438 373 H HIS 55 HN HIS 55 -11.283 16.193 3.582 374 HA HIS 55 HA HIS 55 -10.967 18.049 1.580 375 HB2 HIS 55 HB2 HIS 55 -13.336 16.112 1.788 376 HB3 HIS 55 HB3 HIS 55 -12.563 16.768 0.282 377 HD1 HIS 55 HD1 HIS 55 -12.923 13.735 1.472 378 HD2 HIS 55 HD2 HIS 55 -9.412 15.953 1.010 379 HE1 HIS 55 HE1 HIS 55 -11.006 12.019 1.309 380 H GLU 56 HN GLU 56 -13.912 17.716 3.710 381 HA GLU 56 HA GLU 56 -15.348 19.716 2.466 382 HB2 GLU 56 HB2 GLU 56 -16.493 18.245 3.962 383 HB3 GLU 56 HB3 GLU 56 -15.382 18.572 5.278 384 HG2 GLU 56 HG2 GLU 56 -16.453 20.517 5.882 385 HG3 GLU 56 HG3 GLU 56 -16.755 20.992 4.223 386 HE2 GLU 56 HE2 GLU 56 -17.921 19.092 6.804 387 H GLU 57 HN GLU 57 -12.835 19.812 5.022 388 HA GLU 57 HA GLU 57 -13.210 22.675 5.227 389 HB2 GLU 57 HB2 GLU 57 -12.702 20.790 7.151 390 HB3 GLU 57 HB3 GLU 57 -11.068 21.327 6.812 391 HG2 GLU 57 HG2 GLU 57 -11.515 23.557 7.471 392 HG3 GLU 57 HG3 GLU 57 -13.241 23.397 7.218 393 HE2 GLU 57 HE2 GLU 57 -13.974 23.733 9.242 394 H MET 58 HN MET 58 -11.775 20.735 3.060 395 HA MET 58 HA MET 58 -9.468 22.511 2.833 396 HB2 MET 58 HB2 MET 58 -9.372 19.772 3.311 397 HB3 MET 58 HB3 MET 58 -9.317 19.800 1.560 398 HG2 MET 58 HG2 MET 58 -7.130 20.402 1.613 399 HG3 MET 58 HG3 MET 58 -7.531 21.855 2.505 400 HE1 MET 58 HE1 MET 58 -5.321 21.699 3.185 401 HE2 MET 58 HE2 MET 58 -5.621 21.853 4.932 402 HE3 MET 58 HE3 MET 58 -4.576 20.549 4.319 403 H LYS 59 HN LYS 59 -12.449 21.876 1.619 404 HA LYS 59 HA LYS 59 -13.409 21.870 -0.404 405 HB2 LYS 59 HB2 LYS 59 -11.502 24.217 -0.538 406 HB3 LYS 59 HB3 LYS 59 -12.761 23.939 -1.723 407 HG2 LYS 59 HG2 LYS 59 -14.510 24.140 -0.062 408 HG3 LYS 59 HG3 LYS 59 -13.366 24.039 1.261 409 HD2 LYS 59 HD2 LYS 59 -13.642 26.340 1.208 410 HD3 LYS 59 HD3 LYS 59 -12.310 26.205 0.078 411 HE2 LYS 59 HE2 LYS 59 -14.149 25.972 -1.769 412 HE3 LYS 59 HE3 LYS 59 -15.267 26.554 -0.551 413 HZ1 LYS 59 HZ1 LYS 59 -12.781 28.049 -1.111 414 HZ2 LYS 59 HZ2 LYS 59 -14.104 28.281 -2.033 415 H LYS 60 HN LYS 60 -11.105 20.020 -0.157 416 HA LYS 60 HA LYS 60 -10.605 19.774 -3.017 417 HB2 LYS 60 HB2 LYS 60 -8.612 20.556 -1.074 418 HB3 LYS 60 HB3 LYS 60 -8.202 18.994 -1.754 419 HG2 LYS 60 HG2 LYS 60 -7.250 20.405 -3.351 420 HG3 LYS 60 HG3 LYS 60 -8.829 20.147 -4.067 421 HD2 LYS 60 HD2 LYS 60 -9.090 22.340 -2.226 422 HD3 LYS 60 HD3 LYS 60 -7.641 22.631 -3.167 423 HE2 LYS 60 HE2 LYS 60 -8.838 22.565 -5.249 424 HE3 LYS 60 HE3 LYS 60 -10.237 21.803 -4.519 425 HZ1 LYS 60 HZ1 LYS 60 -10.137 24.406 -4.937 426 HZ2 LYS 60 HZ2 LYS 60 -10.959 23.795 -3.671 427 H GLY 61 HN GLY 61 -10.441 17.615 -3.730 428 HA2 GLY 61 HA1 GLY 61 -10.243 15.315 -3.387 429 HA3 GLY 61 HA2 GLY 61 -10.596 15.521 -1.683 430 HA PRO 62 HA PRO 62 -14.562 14.409 -3.814 431 HB2 PRO 62 HB2 PRO 62 -14.494 11.642 -3.427 432 HB3 PRO 62 HB3 PRO 62 -13.868 12.489 -4.879 433 HG2 PRO 62 HG2 PRO 62 -12.448 11.173 -2.738 434 HG3 PRO 62 HG3 PRO 62 -11.618 11.687 -4.243 435 HD2 PRO 62 HD2 PRO 62 -11.654 12.975 -1.599 436 HD3 PRO 62 HD3 PRO 62 -10.750 13.472 -3.061 437 H THR 63 HN THR 63 -16.524 14.219 -2.622 438 HA THR 63 HA THR 63 -16.150 13.487 0.210 439 HB THR 63 HB THR 63 -18.029 15.191 0.570 440 HG1 THR 63 HG1 THR 63 -18.362 16.555 -1.351 441 HG21 THR 63 HG2 THR 63 -16.630 17.145 0.413 442 H LYS 64 HN LYS 64 -17.922 13.035 -2.794 443 HA LYS 64 HA LYS 64 -20.223 11.873 -1.712 444 HB2 LYS 64 HB2 LYS 64 -18.842 11.647 -4.392 445 HB3 LYS 64 HB3 LYS 64 -20.330 10.794 -4.036 446 HG2 LYS 64 HG2 LYS 64 -21.399 12.698 -4.682 447 HG3 LYS 64 HG3 LYS 64 -20.919 13.356 -3.130 448 HD2 LYS 64 HD2 LYS 64 -18.617 13.783 -4.572 449 HD3 LYS 64 HD3 LYS 64 -19.808 13.903 -5.851 450 HE2 LYS 64 HE2 LYS 64 -20.604 15.352 -3.389 451 HE3 LYS 64 HE3 LYS 64 -19.111 15.951 -4.084 452 HZ1 LYS 64 HZ1 LYS 64 -21.118 17.014 -5.039 453 HZ2 LYS 64 HZ2 LYS 64 -20.242 16.267 -6.191 454 H CYS 65 HN CYS 65 -20.834 9.555 -1.719 455 HA CYS 65 HA CYS 65 -18.861 8.059 -0.366 456 HB2 CYS 65 HB2 CYS 65 -21.225 6.637 -1.424 457 HB3 CYS 65 HB3 CYS 65 -20.530 6.642 0.185 458 H GLY 66 HN GLY 66 -20.713 7.390 -3.438 459 HA2 GLY 66 HA1 GLY 66 -19.406 5.280 -4.440 460 HA3 GLY 66 HA2 GLY 66 -19.974 6.606 -5.435 461 H GLU 67 HN GLU 67 -18.077 8.553 -4.023 462 HA GLU 67 HA GLU 67 -15.935 8.145 -5.817 463 HB2 GLU 67 HB2 GLU 67 -16.416 10.186 -3.607 464 HB3 GLU 67 HB3 GLU 67 -15.013 10.229 -4.655 465 HG2 GLU 67 HG2 GLU 67 -17.831 10.131 -5.800 466 HG3 GLU 67 HG3 GLU 67 -17.094 11.651 -5.333 467 HE2 GLU 67 HE2 GLU 67 -14.921 9.256 -7.261 468 H CYS 68 HN CYS 68 -16.411 7.864 -2.253 469 HA CYS 68 HA CYS 68 -13.658 7.083 -1.913 470 HB2 CYS 68 HB2 CYS 68 -15.876 7.917 -0.155 471 HB3 CYS 68 HB3 CYS 68 -14.884 6.635 0.510 472 H HIS 69 HN HIS 69 -16.953 5.779 -1.606 473 HA HIS 69 HA HIS 69 -15.914 3.011 -1.312 474 HB2 HIS 69 HB2 HIS 69 -18.726 4.225 -1.119 475 HB3 HIS 69 HB3 HIS 69 -18.326 2.470 -0.876 476 HD1 HIS 69 HD1 HIS 69 -16.558 2.085 1.137 477 HD2 HIS 69 HD2 HIS 69 -18.724 5.658 1.196 478 HE1 HIS 69 HE1 HIS 69 -16.440 2.957 3.559 479 H LYS 70 HN LYS 70 -16.600 1.273 -2.742 480 HA LYS 70 HA LYS 70 -17.574 2.217 -5.340 481 HB2 LYS 70 HB2 LYS 70 -15.001 0.875 -4.701 482 HB3 LYS 70 HB3 LYS 70 -15.862 0.266 -6.102 483 HG2 LYS 70 HG2 LYS 70 -16.129 2.846 -6.703 484 HG3 LYS 70 HG3 LYS 70 -14.773 3.049 -5.612 485 HD2 LYS 70 HD2 LYS 70 -14.470 0.841 -7.602 486 HD3 LYS 70 HD3 LYS 70 -14.528 2.453 -8.288 487 HE2 LYS 70 HE2 LYS 70 -12.486 3.046 -7.410 488 HE3 LYS 70 HE3 LYS 70 -12.794 2.243 -5.882 489 HZ1 LYS 70 HZ1 LYS 70 -12.565 0.234 -7.793 490 HZ2 LYS 70 HZ2 LYS 70 -11.334 1.257 -8.094 491 H LYS 71 HN LYS 71 -19.414 1.175 -5.864 492 HA LYS 71 HA LYS 71 -19.608 -1.650 -5.439 493 HB2 LYS 71 HB2 LYS 71 -20.266 -1.101 -3.239 494 HB3 LYS 71 HB3 LYS 71 -21.223 0.270 -3.763 495 HG2 LYS 71 HG2 LYS 71 -22.287 -1.955 -5.175 496 HG3 LYS 71 HG3 LYS 71 -21.996 -2.544 -3.551 497 HD2 LYS 71 HD2 LYS 71 -23.236 0.163 -3.674 498 HD3 LYS 71 HD3 LYS 71 -24.234 -1.120 -4.327 499 HE2 LYS 71 HE2 LYS 71 -23.035 -2.061 -1.861 500 HE3 LYS 71 HE3 LYS 71 -23.748 -0.488 -1.564 501 HZ1 LYS 71 HZ1 LYS 71 -25.785 -1.400 -1.695 502 HZ2 LYS 71 HZ2 LYS 71 -25.496 -2.082 -3.145 Start of MODEL 17 1 H1 ALA 1 HN ALA 1 2.729 1.518 2.286 2 HA ALA 1 HA ALA 1 4.534 1.122 0.328 3 HB1 ALA 1 HB1 ALA 1 2.724 -0.457 -0.631 4 HB2 ALA 1 HB2 ALA 1 3.218 -0.703 1.061 5 HB3 ALA 1 HB3 ALA 1 1.692 0.135 0.693 6 H ASP 2 HN ASP 2 1.094 2.097 -0.357 7 HA ASP 2 HA ASP 2 1.750 4.205 -1.972 8 HB2 ASP 2 HB2 ASP 2 2.007 1.582 -3.275 9 HB3 ASP 2 HB3 ASP 2 0.799 2.568 -4.078 10 HD2 ASP 2 HD2 ASP 2 1.875 3.014 -5.805 11 H ASP 3 HN ASP 3 -0.356 1.225 -2.051 12 HA ASP 3 HA ASP 3 -2.648 3.028 -2.021 13 HB2 ASP 3 HB2 ASP 3 -2.149 1.252 -3.960 14 HB3 ASP 3 HB3 ASP 3 -2.834 0.115 -2.816 15 HD2 ASP 3 HD2 ASP 3 -5.204 2.514 -2.290 16 H ILE 4 HN ILE 4 -3.963 2.869 -0.181 17 HA ILE 4 HA ILE 4 -3.541 0.508 1.518 18 HB ILE 4 HB ILE 4 -4.112 3.365 2.312 19 HG12 ILE 4 HG1 ILE 4 -1.641 1.653 2.326 20 HG23 ILE 4 HG2 ILE 4 -3.477 1.243 4.311 21 HD11 ILE 4 HD1 ILE 4 -2.517 3.677 4.375 22 H VAL 5 HN VAL 5 -5.236 -0.842 1.189 23 HA VAL 5 HA VAL 5 -7.817 0.292 0.542 24 HB VAL 5 HB VAL 5 -6.706 -2.509 0.720 25 HG13 VAL 5 HG1 VAL 5 -8.893 -2.950 1.330 26 HG21 VAL 5 HG2 VAL 5 -6.785 -0.519 -1.334 27 H LEU 6 HN LEU 6 -9.403 0.698 1.999 28 HA LEU 6 HA LEU 6 -8.950 -0.296 4.714 29 HB2 LEU 6 HB2 LEU 6 -10.736 1.950 3.774 30 HB3 LEU 6 HB3 LEU 6 -10.382 1.514 5.434 31 HG LEU 6 HG LEU 6 -8.103 2.247 3.632 32 HD13 LEU 6 HD1 LEU 6 -8.398 4.631 4.173 33 HD21 LEU 6 HD2 LEU 6 -7.908 3.424 6.187 34 H LYS 7 HN LYS 7 -9.700 -2.467 4.104 35 HA LYS 7 HA LYS 7 -11.940 -3.217 2.896 36 HB2 LYS 7 HB2 LYS 7 -12.059 -5.095 4.573 37 HB3 LYS 7 HB3 LYS 7 -10.500 -4.858 3.809 38 HG2 LYS 7 HG2 LYS 7 -9.489 -4.117 5.760 39 HG3 LYS 7 HG3 LYS 7 -10.941 -3.329 6.346 40 HD2 LYS 7 HD2 LYS 7 -10.747 -5.157 7.817 41 HD3 LYS 7 HD3 LYS 7 -11.892 -5.760 6.635 42 HE2 LYS 7 HE2 LYS 7 -9.669 -6.600 5.389 43 HE3 LYS 7 HE3 LYS 7 -8.979 -6.483 6.997 44 HZ1 LYS 7 HZ1 LYS 7 -11.358 -7.770 7.404 45 HZ2 LYS 7 HZ2 LYS 7 -10.850 -8.411 5.997 46 H ALA 8 HN ALA 8 -14.056 -2.699 2.954 47 HA ALA 8 HA ALA 8 -15.103 -1.730 5.526 48 HB1 ALA 8 HB1 ALA 8 -16.632 -0.630 3.409 49 HB2 ALA 8 HB2 ALA 8 -15.519 0.227 4.503 50 HB3 ALA 8 HB3 ALA 8 -14.926 -0.413 2.951 51 H LYS 9 HN LYS 9 -17.513 -2.054 5.731 52 HA LYS 9 HA LYS 9 -18.137 -4.704 4.759 53 HB2 LYS 9 HB2 LYS 9 -18.566 -3.369 7.145 54 HB3 LYS 9 HB3 LYS 9 -20.149 -3.326 6.394 55 HG2 LYS 9 HG2 LYS 9 -20.239 -5.724 6.189 56 HG3 LYS 9 HG3 LYS 9 -18.523 -5.898 6.500 57 HD2 LYS 9 HD2 LYS 9 -18.984 -4.873 8.833 58 HD3 LYS 9 HD3 LYS 9 -20.689 -5.081 8.485 59 HE2 LYS 9 HE2 LYS 9 -20.264 -7.113 9.539 60 HE3 LYS 9 HE3 LYS 9 -19.943 -7.580 7.882 61 HZ1 LYS 9 HZ1 LYS 9 -17.932 -8.180 8.685 62 HZ2 LYS 9 HZ2 LYS 9 -17.546 -6.598 8.711 63 H ASN 10 HN ASN 10 -18.789 -1.355 3.998 64 HA ASN 10 HA ASN 10 -20.838 -2.297 2.150 65 HB2 ASN 10 HB2 ASN 10 -21.990 -0.880 3.723 66 HB3 ASN 10 HB3 ASN 10 -20.670 0.272 3.782 67 HD21 ASN 10 HD2 ASN 10 -22.945 2.126 1.770 68 H GLY 11 HN GLY 11 -18.615 -2.589 0.913 69 HA2 GLY 11 HA1 GLY 11 -17.628 -1.865 -1.030 70 HA3 GLY 11 HA2 GLY 11 -18.234 -0.244 -0.761 71 H ASP 12 HN ASP 12 -15.423 -1.625 -1.239 72 HA ASP 12 HA ASP 12 -13.995 -0.958 1.102 73 HB2 ASP 12 HB2 ASP 12 -12.663 -1.140 -1.598 74 HB3 ASP 12 HB3 ASP 12 -12.104 -1.749 -0.053 75 HD2 ASP 12 HD2 ASP 12 -14.280 -2.549 -2.690 76 H VAL 13 HN VAL 13 -11.925 0.607 0.721 77 HA VAL 13 HA VAL 13 -12.845 2.958 -0.782 78 HB VAL 13 HB VAL 13 -11.614 2.800 1.973 79 HG13 VAL 13 HG1 VAL 13 -11.974 5.165 0.120 80 HG21 VAL 13 HG2 VAL 13 -13.792 2.709 2.538 81 H LYS 14 HN LYS 14 -11.374 3.788 -2.202 82 HA LYS 14 HA LYS 14 -8.762 2.484 -2.218 83 HB2 LYS 14 HB2 LYS 14 -10.045 2.291 -4.265 84 HB3 LYS 14 HB3 LYS 14 -10.282 4.026 -4.340 85 HG2 LYS 14 HG2 LYS 14 -8.468 3.548 -5.842 86 HG3 LYS 14 HG3 LYS 14 -7.736 4.282 -4.430 87 HD2 LYS 14 HD2 LYS 14 -6.436 2.450 -4.143 88 HD3 LYS 14 HD3 LYS 14 -7.867 1.466 -3.909 89 HE2 LYS 14 HE2 LYS 14 -6.785 0.444 -5.761 90 HE3 LYS 14 HE3 LYS 14 -8.055 1.399 -6.502 91 HZ1 LYS 14 HZ1 LYS 14 -5.775 3.026 -6.221 92 HZ2 LYS 14 HZ2 LYS 14 -5.301 1.636 -6.926 93 H PHE 15 HN PHE 15 -7.595 3.582 -0.630 94 HA PHE 15 HA PHE 15 -7.433 6.486 -0.992 95 HB2 PHE 15 HB2 PHE 15 -8.138 5.347 1.241 96 HB3 PHE 15 HB3 PHE 15 -6.523 4.672 1.319 97 HD1 PHE 15 HD1 PHE 15 -7.291 8.077 0.112 98 HD2 PHE 15 HD2 PHE 15 -5.833 5.727 3.330 99 HE1 PHE 15 HE1 PHE 15 -6.479 10.155 1.262 100 HE2 PHE 15 HE2 PHE 15 -5.020 7.805 4.480 101 HZ PHE 15 HZ PHE 15 -5.353 9.995 3.432 102 HA PRO 16 HA PRO 16 -3.378 5.457 -2.595 103 HB2 PRO 16 HB2 PRO 16 -3.044 7.811 -3.951 104 HB3 PRO 16 HB3 PRO 16 -4.143 6.518 -4.528 105 HG2 PRO 16 HG2 PRO 16 -5.150 9.221 -3.189 106 HG3 PRO 16 HG3 PRO 16 -5.337 7.973 -4.464 107 HD2 PRO 16 HD2 PRO 16 -6.404 8.039 -1.698 108 HD3 PRO 16 HD3 PRO 16 -6.789 6.896 -3.020 109 H HIS 17 HN HIS 17 -2.368 5.463 -0.545 110 HA HIS 17 HA HIS 17 -1.950 7.780 1.067 111 HB2 HIS 17 HB2 HIS 17 -1.787 5.325 1.704 112 HB3 HIS 17 HB3 HIS 17 -0.173 5.290 0.872 113 HD1 HIS 17 HD1 HIS 17 1.732 5.808 2.255 114 HD2 HIS 17 HD2 HIS 17 -1.790 7.232 3.997 115 HE1 HIS 17 HE1 HIS 17 2.393 6.707 4.578 116 H LYS 18 HN LYS 18 0.373 6.114 -1.233 117 HA LYS 18 HA LYS 18 2.437 7.850 -1.052 118 HB2 LYS 18 HB2 LYS 18 2.918 6.057 -2.378 119 HB3 LYS 18 HB3 LYS 18 1.362 6.076 -3.183 120 HG2 LYS 18 HG2 LYS 18 2.035 7.627 -4.774 121 HG3 LYS 18 HG3 LYS 18 3.118 8.455 -3.673 122 HD2 LYS 18 HD2 LYS 18 4.563 6.262 -3.783 123 HD3 LYS 18 HD3 LYS 18 3.609 5.876 -5.202 124 HE2 LYS 18 HE2 LYS 18 4.857 7.283 -6.471 125 HE3 LYS 18 HE3 LYS 18 4.457 8.631 -5.425 126 HZ1 LYS 18 HZ1 LYS 18 6.830 8.299 -5.394 127 HZ2 LYS 18 HZ2 LYS 18 6.279 7.860 -3.927 128 H ALA 19 HN ALA 19 -0.706 8.337 -2.666 129 HA ALA 19 HA ALA 19 0.097 10.694 -4.032 130 HB1 ALA 19 HB1 ALA 19 -1.798 9.193 -4.688 131 HB2 ALA 19 HB2 ALA 19 -2.682 9.733 -3.240 132 HB3 ALA 19 HB3 ALA 19 -2.279 10.899 -4.524 133 H HIS 20 HN HIS 20 -1.485 9.916 -0.968 134 HA HIS 20 HA HIS 20 -1.763 12.752 -0.217 135 HB2 HIS 20 HB2 HIS 20 -2.553 10.054 0.933 136 HB3 HIS 20 HB3 HIS 20 -2.517 11.517 2.009 137 HD1 HIS 20 HD1 HIS 20 -3.942 10.773 -1.437 138 HD2 HIS 20 HD2 HIS 20 -5.014 12.548 2.192 139 HE1 HIS 20 HE1 HIS 20 -6.366 11.597 -1.729 140 H GLN 21 HN GLN 21 0.957 11.312 -0.712 141 HA GLN 21 HA GLN 21 2.067 11.808 1.934 142 HB2 GLN 21 HB2 GLN 21 2.411 9.622 0.297 143 HB3 GLN 21 HB3 GLN 21 3.801 10.588 -0.157 144 HG2 GLN 21 HG2 GLN 21 4.739 10.520 2.001 145 HG3 GLN 21 HG3 GLN 21 3.191 10.263 2.784 146 HE21 GLN 21 HE2 GLN 21 3.619 6.855 3.049 147 H LYS 22 HN LYS 22 1.346 13.548 -0.699 148 HA LYS 22 HA LYS 22 3.453 15.411 -0.231 149 HB2 LYS 22 HB2 LYS 22 4.018 13.484 -2.157 150 HB3 LYS 22 HB3 LYS 22 3.440 14.843 -3.100 151 HG2 LYS 22 HG2 LYS 22 5.192 16.233 -2.448 152 HG3 LYS 22 HG3 LYS 22 5.355 15.479 -0.875 153 HD2 LYS 22 HD2 LYS 22 6.323 13.429 -2.009 154 HD3 LYS 22 HD3 LYS 22 6.252 14.281 -3.538 155 HE2 LYS 22 HE2 LYS 22 7.580 16.153 -2.052 156 HE3 LYS 22 HE3 LYS 22 8.093 14.706 -1.208 157 HZ1 LYS 22 HZ1 LYS 22 8.234 14.754 -4.149 158 HZ2 LYS 22 HZ2 LYS 22 9.406 15.495 -3.292 159 H ALA 23 HN ALA 23 0.681 15.456 0.242 160 HA ALA 23 HA ALA 23 -0.116 17.462 -1.744 161 HB1 ALA 23 HB1 ALA 23 -2.498 16.550 -1.312 162 HB2 ALA 23 HB2 ALA 23 -1.428 15.592 -2.362 163 HB3 ALA 23 HB3 ALA 23 -1.685 15.103 -0.670 164 H VAL 24 HN VAL 24 -0.712 16.013 1.530 165 HA VAL 24 HA VAL 24 -1.791 18.515 2.462 166 HB VAL 24 HB VAL 24 -1.232 15.844 3.755 167 HG13 VAL 24 HG1 VAL 24 -1.299 18.229 5.124 168 HG21 VAL 24 HG2 VAL 24 -3.909 17.156 3.239 169 HA PRO 25 HA PRO 25 2.171 20.386 3.103 170 HB2 PRO 25 HB2 PRO 25 0.442 21.871 5.107 171 HB3 PRO 25 HB3 PRO 25 1.587 22.485 3.871 172 HG2 PRO 25 HG2 PRO 25 -1.146 22.522 3.439 173 HG3 PRO 25 HG3 PRO 25 0.220 22.312 2.296 174 HD2 PRO 25 HD2 PRO 25 -1.754 20.289 3.399 175 HD3 PRO 25 HD3 PRO 25 -0.962 20.341 1.796 176 H ASP 26 HN ASP 26 0.086 20.083 6.106 177 HA ASP 26 HA ASP 26 2.474 19.111 7.422 178 HB2 ASP 26 HB2 ASP 26 0.959 21.013 8.335 179 HB3 ASP 26 HB3 ASP 26 -0.219 19.764 8.690 180 HD2 ASP 26 HD2 ASP 26 0.087 19.255 11.059 181 H CYS 27 HN CYS 27 2.077 17.005 6.095 182 HA CYS 27 HA CYS 27 -0.064 15.422 6.155 183 HB2 CYS 27 HB2 CYS 27 1.356 14.059 5.164 184 HB3 CYS 27 HB3 CYS 27 2.682 15.097 5.651 185 H LYS 28 HN LYS 28 2.064 16.301 8.857 186 HA LYS 28 HA LYS 28 1.550 14.280 10.638 187 HB2 LYS 28 HB2 LYS 28 2.052 17.236 11.042 188 HB3 LYS 28 HB3 LYS 28 1.928 16.108 12.377 189 HG2 LYS 28 HG2 LYS 28 3.698 15.029 10.318 190 HG3 LYS 28 HG3 LYS 28 4.220 16.638 10.773 191 HD2 LYS 28 HD2 LYS 28 3.492 15.213 13.183 192 HD3 LYS 28 HD3 LYS 28 4.547 14.181 12.238 193 HE2 LYS 28 HE2 LYS 28 6.352 15.429 12.816 194 HE3 LYS 28 HE3 LYS 28 5.612 16.868 12.144 195 HZ1 LYS 28 HZ1 LYS 28 5.917 17.294 14.442 196 HZ2 LYS 28 HZ2 LYS 28 4.323 16.986 14.317 197 H LYS 29 HN LYS 29 -0.632 16.630 9.274 198 HA LYS 29 HA LYS 29 -2.470 17.114 11.165 199 HB2 LYS 29 HB2 LYS 29 -2.479 17.786 8.726 200 HB3 LYS 29 HB3 LYS 29 -3.174 16.221 8.357 201 HG2 LYS 29 HG2 LYS 29 -5.177 16.681 9.572 202 HG3 LYS 29 HG3 LYS 29 -4.441 17.990 10.475 203 HD2 LYS 29 HD2 LYS 29 -4.339 18.453 7.560 204 HD3 LYS 29 HD3 LYS 29 -5.980 18.248 8.139 205 HE2 LYS 29 HE2 LYS 29 -4.207 20.018 9.793 206 HE3 LYS 29 HE3 LYS 29 -4.657 20.634 8.215 207 HZ1 LYS 29 HZ1 LYS 29 -7.033 19.991 8.918 208 HZ2 LYS 29 HZ2 LYS 29 -6.459 19.901 10.439 209 H CYS 30 HN CYS 30 -2.332 14.084 9.163 210 HA CYS 30 HA CYS 30 -4.359 12.886 10.774 211 HB2 CYS 30 HB2 CYS 30 -2.602 11.328 8.894 212 HB3 CYS 30 HB3 CYS 30 -4.295 11.094 9.284 213 H HIS 31 HN HIS 31 -0.851 12.735 10.328 214 HA HIS 31 HA HIS 31 -0.571 10.865 12.635 215 HB2 HIS 31 HB2 HIS 31 1.491 11.839 10.580 216 HB3 HIS 31 HB3 HIS 31 1.724 10.546 11.833 217 HD1 HIS 31 HD1 HIS 31 -0.713 8.868 11.404 218 HD2 HIS 31 HD2 HIS 31 1.520 10.441 8.240 219 HE1 HIS 31 HE1 HIS 31 -1.172 7.347 9.374 220 H GLU 32 HN GLU 32 -1.486 13.065 13.730 221 HA GLU 32 HA GLU 32 0.221 15.180 14.094 222 HB2 GLU 32 HB2 GLU 32 -2.005 13.987 15.767 223 HB3 GLU 32 HB3 GLU 32 -1.100 15.363 16.365 224 HG2 GLU 32 HG2 GLU 32 -1.670 16.113 13.734 225 HG3 GLU 32 HG3 GLU 32 -3.114 15.233 14.197 226 HE2 GLU 32 HE2 GLU 32 -3.778 17.696 13.997 227 H LYS 33 HN LYS 33 -0.138 12.123 16.004 228 HA LYS 33 HA LYS 33 1.958 12.867 17.798 229 HB2 LYS 33 HB2 LYS 33 0.222 10.447 17.389 230 HB3 LYS 33 HB3 LYS 33 1.647 10.334 18.403 231 HG2 LYS 33 HG2 LYS 33 -0.432 10.942 19.687 232 HG3 LYS 33 HG3 LYS 33 0.852 12.123 19.859 233 HD2 LYS 33 HD2 LYS 33 -0.226 13.702 18.459 234 HD3 LYS 33 HD3 LYS 33 -1.202 12.485 17.662 235 HE2 LYS 33 HE2 LYS 33 -2.541 12.157 19.719 236 HE3 LYS 33 HE3 LYS 33 -1.518 13.274 20.598 237 HZ1 LYS 33 HZ1 LYS 33 -2.466 14.526 18.242 238 HZ2 LYS 33 HZ2 LYS 33 -3.739 13.920 19.058 239 H GLY 34 HN GLY 34 1.602 10.274 15.270 240 HA2 GLY 34 HA1 GLY 34 4.119 10.774 14.113 241 HA3 GLY 34 HA2 GLY 34 4.286 9.490 15.295 242 HA PRO 35 HA PRO 35 2.605 7.709 11.321 243 HB2 PRO 35 HB2 PRO 35 5.237 6.532 10.800 244 HB3 PRO 35 HB3 PRO 35 4.333 7.764 9.859 245 HG2 PRO 35 HG2 PRO 35 6.791 8.884 11.348 246 HG3 PRO 35 HG3 PRO 35 5.139 9.295 10.781 247 HD2 PRO 35 HD2 PRO 35 5.824 7.925 13.461 248 HD3 PRO 35 HD3 PRO 35 5.465 9.671 13.282 249 H GLY 36 HN GLY 36 1.703 5.619 11.386 250 HA2 GLY 36 HA1 GLY 36 2.706 3.264 12.024 251 HA3 GLY 36 HA2 GLY 36 2.548 3.949 13.629 252 H LYS 37 HN LYS 37 0.962 2.229 14.083 253 HA LYS 37 HA LYS 37 -1.455 2.154 12.575 254 HB2 LYS 37 HB2 LYS 37 -0.947 0.972 15.314 255 HB3 LYS 37 HB3 LYS 37 -2.141 0.473 14.132 256 HG2 LYS 37 HG2 LYS 37 -0.525 -1.091 13.615 257 HG3 LYS 37 HG3 LYS 37 0.064 0.200 12.585 258 HD2 LYS 37 HD2 LYS 37 1.949 0.498 13.838 259 HD3 LYS 37 HD3 LYS 37 1.059 0.459 15.349 260 HE2 LYS 37 HE2 LYS 37 1.245 -1.876 15.567 261 HE3 LYS 37 HE3 LYS 37 1.405 -2.135 13.842 262 HZ1 LYS 37 HZ1 LYS 37 3.468 -1.450 15.769 263 HZ2 LYS 37 HZ2 LYS 37 3.589 -2.330 14.403 264 H ILE 38 HN ILE 38 -2.579 4.074 12.528 265 HA ILE 38 HA ILE 38 -2.712 5.930 14.537 266 HB ILE 38 HB ILE 38 -4.703 5.192 12.394 267 HG12 ILE 38 HG1 ILE 38 -2.640 7.412 12.517 268 HG23 ILE 38 HG2 ILE 38 -5.568 7.533 12.748 269 HD11 ILE 38 HD1 ILE 38 -3.561 6.719 9.882 270 H GLU 39 HN GLU 39 -3.791 6.159 16.454 271 HA GLU 39 HA GLU 39 -4.552 4.128 17.930 272 HB2 GLU 39 HB2 GLU 39 -5.011 6.981 17.957 273 HB3 GLU 39 HB3 GLU 39 -6.463 6.185 18.530 274 HG2 GLU 39 HG2 GLU 39 -3.726 5.376 19.580 275 HG3 GLU 39 HG3 GLU 39 -4.580 6.746 20.263 276 HE2 GLU 39 HE2 GLU 39 -6.948 5.725 21.511 277 H GLY 40 HN GLY 40 -5.671 2.396 16.994 278 HA2 GLY 40 HA1 GLY 40 -7.344 1.395 15.758 279 HA3 GLY 40 HA2 GLY 40 -8.222 1.931 17.177 280 H PHE 41 HN PHE 41 -7.396 2.706 13.779 281 HA PHE 41 HA PHE 41 -8.875 5.065 13.590 282 HB2 PHE 41 HB2 PHE 41 -7.214 4.336 11.912 283 HB3 PHE 41 HB3 PHE 41 -8.053 2.819 11.664 284 HD1 PHE 41 HD1 PHE 41 -8.111 6.422 10.964 285 HD2 PHE 41 HD2 PHE 41 -9.971 2.683 10.215 286 HE1 PHE 41 HE1 PHE 41 -9.376 7.436 9.048 287 HE2 PHE 41 HE2 PHE 41 -11.237 3.696 8.298 288 HZ PHE 41 HZ PHE 41 -10.923 6.060 7.737 289 H GLY 42 HN GLY 42 -11.001 5.162 14.226 290 HA2 GLY 42 HA1 GLY 42 -12.782 2.935 13.784 291 HA3 GLY 42 HA2 GLY 42 -13.152 4.478 14.528 292 H LYS 43 HN LYS 43 -15.119 3.729 12.946 293 HA LYS 43 HA LYS 43 -14.671 4.442 10.207 294 HB2 LYS 43 HB2 LYS 43 -17.354 4.044 11.527 295 HB3 LYS 43 HB3 LYS 43 -16.907 3.786 9.852 296 HG2 LYS 43 HG2 LYS 43 -15.549 2.200 12.057 297 HG3 LYS 43 HG3 LYS 43 -17.122 1.709 11.457 298 HD2 LYS 43 HD2 LYS 43 -15.830 0.516 9.961 299 HD3 LYS 43 HD3 LYS 43 -15.895 2.023 9.070 300 HE2 LYS 43 HE2 LYS 43 -13.583 1.545 9.090 301 HE3 LYS 43 HE3 LYS 43 -13.743 2.682 10.413 302 HZ1 LYS 43 HZ1 LYS 43 -13.216 -0.186 10.535 303 HZ2 LYS 43 HZ2 LYS 43 -12.643 1.003 11.488 304 H GLU 44 HN GLU 44 -16.745 5.798 12.872 305 HA GLU 44 HA GLU 44 -17.636 7.991 11.700 306 HB2 GLU 44 HB2 GLU 44 -18.150 7.409 14.024 307 HB3 GLU 44 HB3 GLU 44 -16.507 7.759 14.522 308 HG2 GLU 44 HG2 GLU 44 -18.152 9.620 15.021 309 HG3 GLU 44 HG3 GLU 44 -16.773 10.127 14.067 310 HE2 GLU 44 HE2 GLU 44 -19.878 11.124 13.791 311 H MET 45 HN MET 45 -14.312 7.553 13.034 312 HA MET 45 HA MET 45 -13.415 10.100 12.825 313 HB2 MET 45 HB2 MET 45 -12.259 7.901 13.659 314 HB3 MET 45 HB3 MET 45 -11.783 7.648 11.991 315 HG2 MET 45 HG2 MET 45 -11.198 10.321 13.295 316 HG3 MET 45 HG3 MET 45 -10.172 8.951 13.668 317 HE1 MET 45 HE1 MET 45 -8.443 11.128 12.321 318 HE2 MET 45 HE2 MET 45 -8.096 9.452 12.812 319 HE3 MET 45 HE3 MET 45 -7.653 10.012 11.181 320 H ALA 46 HN ALA 46 -13.656 7.587 10.247 321 HA ALA 46 HA ALA 46 -12.254 8.836 8.254 322 HB1 ALA 46 HB1 ALA 46 -14.825 7.217 8.049 323 HB2 ALA 46 HB2 ALA 46 -13.665 7.502 6.731 324 HB3 ALA 46 HB3 ALA 46 -13.179 6.548 8.153 325 H HIS 47 HN HIS 47 -15.801 8.921 8.622 326 HA HIS 47 HA HIS 47 -16.180 11.142 6.845 327 HB2 HIS 47 HB2 HIS 47 -18.064 10.214 9.073 328 HB3 HIS 47 HB3 HIS 47 -18.478 11.040 7.510 329 HD1 HIS 47 HD1 HIS 47 -19.269 8.123 8.831 330 HD2 HIS 47 HD2 HIS 47 -16.981 8.937 5.429 331 HE1 HIS 47 HE1 HIS 47 -19.403 6.016 7.353 332 H GLY 48 HN GLY 48 -14.851 10.999 10.014 333 HA2 GLY 48 HA1 GLY 48 -15.847 13.506 10.988 334 HA3 GLY 48 HA2 GLY 48 -14.542 12.540 11.647 335 H LYS 49 HN LYS 49 -12.821 13.939 11.835 336 HA LYS 49 HA LYS 49 -12.209 15.579 9.482 337 HB2 LYS 49 HB2 LYS 49 -12.063 16.030 12.396 338 HB3 LYS 49 HB3 LYS 49 -10.648 16.561 11.508 339 HG2 LYS 49 HG2 LYS 49 -12.716 17.451 9.872 340 HG3 LYS 49 HG3 LYS 49 -13.415 17.638 11.467 341 HD2 LYS 49 HD2 LYS 49 -11.103 18.761 12.082 342 HD3 LYS 49 HD3 LYS 49 -10.903 18.920 10.349 343 HE2 LYS 49 HE2 LYS 49 -13.558 19.789 11.432 344 HE3 LYS 49 HE3 LYS 49 -12.188 20.776 11.899 345 HZ1 LYS 49 HZ1 LYS 49 -12.152 20.114 9.104 346 HZ2 LYS 49 HZ2 LYS 49 -13.491 20.944 9.514 347 H GLY 50 HN GLY 50 -11.629 12.934 9.124 348 HA2 GLY 50 HA1 GLY 50 -8.720 13.001 9.060 349 HA3 GLY 50 HA2 GLY 50 -9.436 11.713 10.009 350 H CYS 51 HN CYS 51 -10.901 13.161 7.061 351 HA CYS 51 HA CYS 51 -9.916 11.377 5.209 352 HB2 CYS 51 HB2 CYS 51 -11.358 9.882 6.905 353 HB3 CYS 51 HB3 CYS 51 -12.656 10.411 5.851 354 H LYS 52 HN LYS 52 -13.367 12.192 6.023 355 HA LYS 52 HA LYS 52 -13.589 13.571 3.495 356 HB2 LYS 52 HB2 LYS 52 -15.349 12.027 4.190 357 HB3 LYS 52 HB3 LYS 52 -15.620 12.944 5.659 358 HG2 LYS 52 HG2 LYS 52 -15.717 14.694 3.307 359 HG3 LYS 52 HG3 LYS 52 -16.847 13.364 3.139 360 HD2 LYS 52 HD2 LYS 52 -16.977 14.383 5.859 361 HD3 LYS 52 HD3 LYS 52 -17.139 15.721 4.740 362 HE2 LYS 52 HE2 LYS 52 -19.344 15.094 4.665 363 HE3 LYS 52 HE3 LYS 52 -18.784 13.886 3.526 364 HZ1 LYS 52 HZ1 LYS 52 -20.066 13.285 5.801 365 HZ2 LYS 52 HZ2 LYS 52 -19.063 12.242 5.053 366 H GLY 53 HN GLY 53 -13.993 14.317 7.024 367 HA2 GLY 53 HA1 GLY 53 -14.678 16.874 7.097 368 HA3 GLY 53 HA2 GLY 53 -13.400 16.234 8.108 369 H CYS 54 HN CYS 54 -11.200 15.884 6.647 370 HA CYS 54 HA CYS 54 -10.102 18.303 6.301 371 HB2 CYS 54 HB2 CYS 54 -8.953 16.044 6.265 372 HB3 CYS 54 HB3 CYS 54 -9.376 15.922 4.569 373 H HIS 55 HN HIS 55 -11.148 16.215 3.595 374 HA HIS 55 HA HIS 55 -10.986 17.958 1.465 375 HB2 HIS 55 HB2 HIS 55 -13.266 15.966 1.955 376 HB3 HIS 55 HB3 HIS 55 -12.655 16.576 0.358 377 HD1 HIS 55 HD1 HIS 55 -12.756 13.606 1.839 378 HD2 HIS 55 HD2 HIS 55 -9.452 15.901 0.703 379 HE1 HIS 55 HE1 HIS 55 -10.799 11.954 1.550 380 H GLU 56 HN GLU 56 -13.754 17.706 3.824 381 HA GLU 56 HA GLU 56 -15.318 19.600 2.551 382 HB2 GLU 56 HB2 GLU 56 -16.255 18.105 4.224 383 HB3 GLU 56 HB3 GLU 56 -15.173 18.712 5.462 384 HG2 GLU 56 HG2 GLU 56 -16.893 20.108 6.015 385 HG3 GLU 56 HG3 GLU 56 -16.375 21.056 4.637 386 HE2 GLU 56 HE2 GLU 56 -19.834 19.136 4.513 387 H GLU 57 HN GLU 57 -12.635 19.869 4.902 388 HA GLU 57 HA GLU 57 -13.117 22.655 5.287 389 HB2 GLU 57 HB2 GLU 57 -12.157 21.110 7.051 390 HB3 GLU 57 HB3 GLU 57 -10.692 20.991 6.095 391 HG2 GLU 57 HG2 GLU 57 -9.937 22.995 6.853 392 HG3 GLU 57 HG3 GLU 57 -11.436 23.795 6.422 393 HE2 GLU 57 HE2 GLU 57 -10.711 21.438 9.177 394 H MET 58 HN MET 58 -10.432 20.663 3.843 395 HA MET 58 HA MET 58 -9.119 22.873 2.784 396 HB2 MET 58 HB2 MET 58 -8.662 20.126 3.055 397 HB3 MET 58 HB3 MET 58 -8.853 20.282 1.320 398 HG2 MET 58 HG2 MET 58 -6.586 20.753 1.452 399 HG3 MET 58 HG3 MET 58 -7.195 22.380 1.683 400 HE1 MET 58 HE1 MET 58 -5.372 19.622 2.602 401 HE2 MET 58 HE2 MET 58 -4.298 20.357 3.816 402 HE3 MET 58 HE3 MET 58 -5.614 19.276 4.331 403 H LYS 59 HN LYS 59 -12.086 21.429 1.895 404 HA LYS 59 HA LYS 59 -13.423 21.605 0.147 405 HB2 LYS 59 HB2 LYS 59 -11.742 24.058 -0.447 406 HB3 LYS 59 HB3 LYS 59 -13.274 23.687 -1.209 407 HG2 LYS 59 HG2 LYS 59 -14.400 23.695 1.016 408 HG3 LYS 59 HG3 LYS 59 -12.868 24.025 1.800 409 HD2 LYS 59 HD2 LYS 59 -12.690 26.155 0.418 410 HD3 LYS 59 HD3 LYS 59 -14.301 25.839 -0.195 411 HE2 LYS 59 HE2 LYS 59 -14.814 25.611 2.472 412 HE3 LYS 59 HE3 LYS 59 -13.446 26.704 2.551 413 HZ1 LYS 59 HZ1 LYS 59 -16.100 27.202 1.496 414 HZ2 LYS 59 HZ2 LYS 59 -15.044 28.252 2.157 415 H LYS 60 HN LYS 60 -10.655 20.195 0.004 416 HA LYS 60 HA LYS 60 -10.657 19.956 -2.924 417 HB2 LYS 60 HB2 LYS 60 -8.494 20.608 -1.119 418 HB3 LYS 60 HB3 LYS 60 -8.154 19.095 -1.935 419 HG2 LYS 60 HG2 LYS 60 -7.990 20.086 -4.011 420 HG3 LYS 60 HG3 LYS 60 -9.290 21.217 -3.694 421 HD2 LYS 60 HD2 LYS 60 -7.402 22.140 -1.921 422 HD3 LYS 60 HD3 LYS 60 -6.360 21.497 -3.174 423 HE2 LYS 60 HE2 LYS 60 -8.325 22.865 -4.634 424 HE3 LYS 60 HE3 LYS 60 -8.102 23.885 -3.227 425 HZ1 LYS 60 HZ1 LYS 60 -5.938 22.963 -5.042 426 HZ2 LYS 60 HZ2 LYS 60 -6.507 24.484 -4.928 427 H GLY 61 HN GLY 61 -10.517 17.838 -3.789 428 HA2 GLY 61 HA1 GLY 61 -10.295 15.523 -3.598 429 HA3 GLY 61 HA2 GLY 61 -10.545 15.623 -1.867 430 HA PRO 62 HA PRO 62 -14.578 14.552 -3.987 431 HB2 PRO 62 HB2 PRO 62 -14.327 11.772 -3.204 432 HB3 PRO 62 HB3 PRO 62 -14.224 12.483 -4.847 433 HG2 PRO 62 HG2 PRO 62 -12.345 11.343 -3.409 434 HG3 PRO 62 HG3 PRO 62 -11.608 12.160 -4.826 435 HD2 PRO 62 HD2 PRO 62 -11.650 12.975 -1.982 436 HD3 PRO 62 HD3 PRO 62 -10.749 13.712 -3.341 437 H THR 63 HN THR 63 -16.568 14.342 -2.797 438 HA THR 63 HA THR 63 -16.205 13.789 0.071 439 HB THR 63 HB THR 63 -18.336 15.694 -0.434 440 HG1 THR 63 HG1 THR 63 -15.625 16.260 -1.411 441 HG21 THR 63 HG2 THR 63 -16.997 17.151 1.023 442 H LYS 64 HN LYS 64 -17.529 12.771 -2.817 443 HA LYS 64 HA LYS 64 -20.085 11.997 -1.721 444 HB2 LYS 64 HB2 LYS 64 -18.745 11.653 -4.407 445 HB3 LYS 64 HB3 LYS 64 -20.257 10.859 -4.014 446 HG2 LYS 64 HG2 LYS 64 -21.440 12.779 -4.294 447 HG3 LYS 64 HG3 LYS 64 -20.370 13.672 -3.231 448 HD2 LYS 64 HD2 LYS 64 -18.856 14.213 -5.014 449 HD3 LYS 64 HD3 LYS 64 -19.528 12.989 -6.072 450 HE2 LYS 64 HE2 LYS 64 -21.699 14.269 -6.137 451 HE3 LYS 64 HE3 LYS 64 -20.979 15.510 -5.130 452 HZ1 LYS 64 HZ1 LYS 64 -20.660 16.254 -7.324 453 HZ2 LYS 64 HZ2 LYS 64 -19.201 15.632 -6.955 454 H CYS 65 HN CYS 65 -20.776 9.679 -1.729 455 HA CYS 65 HA CYS 65 -18.902 8.163 -0.283 456 HB2 CYS 65 HB2 CYS 65 -21.262 6.821 -1.488 457 HB3 CYS 65 HB3 CYS 65 -20.605 6.712 0.133 458 H GLY 66 HN GLY 66 -20.580 7.490 -3.452 459 HA2 GLY 66 HA1 GLY 66 -19.194 5.351 -4.333 460 HA3 GLY 66 HA2 GLY 66 -19.770 6.631 -5.381 461 H GLU 67 HN GLU 67 -17.963 8.652 -3.915 462 HA GLU 67 HA GLU 67 -15.775 8.313 -5.661 463 HB2 GLU 67 HB2 GLU 67 -16.332 10.307 -3.426 464 HB3 GLU 67 HB3 GLU 67 -14.922 10.401 -4.463 465 HG2 GLU 67 HG2 GLU 67 -17.768 10.314 -5.560 466 HG3 GLU 67 HG3 GLU 67 -16.948 11.814 -5.180 467 HE2 GLU 67 HE2 GLU 67 -17.072 9.199 -7.277 468 H CYS 68 HN CYS 68 -16.330 7.924 -2.124 469 HA CYS 68 HA CYS 68 -13.558 7.170 -1.768 470 HB2 CYS 68 HB2 CYS 68 -15.765 8.040 -0.007 471 HB3 CYS 68 HB3 CYS 68 -14.763 6.770 0.666 472 H HIS 69 HN HIS 69 -16.870 5.915 -1.462 473 HA HIS 69 HA HIS 69 -15.865 3.134 -1.136 474 HB2 HIS 69 HB2 HIS 69 -18.666 4.374 -0.940 475 HB3 HIS 69 HB3 HIS 69 -18.267 2.625 -0.659 476 HD1 HIS 69 HD1 HIS 69 -16.410 2.329 1.327 477 HD2 HIS 69 HD2 HIS 69 -18.720 5.813 1.364 478 HE1 HIS 69 HE1 HIS 69 -16.292 3.245 3.733 479 H LYS 70 HN LYS 70 -17.138 1.395 -2.436 480 HA LYS 70 HA LYS 70 -17.701 0.491 -4.372 481 HB2 LYS 70 HB2 LYS 70 -18.717 3.270 -4.743 482 HB3 LYS 70 HB3 LYS 70 -18.562 2.283 -6.182 483 HG2 LYS 70 HG2 LYS 70 -19.919 0.484 -5.114 484 HG3 LYS 70 HG3 LYS 70 -20.044 1.435 -3.647 485 HD2 LYS 70 HD2 LYS 70 -21.554 2.945 -4.575 486 HD3 LYS 70 HD3 LYS 70 -20.893 2.789 -6.189 487 HE2 LYS 70 HE2 LYS 70 -22.321 0.434 -4.914 488 HE3 LYS 70 HE3 LYS 70 -23.253 1.728 -5.639 489 HZ1 LYS 70 HZ1 LYS 70 -22.721 0.979 -7.682 490 HZ2 LYS 70 HZ2 LYS 70 -21.128 0.885 -7.358 491 H LYS 71 HN LYS 71 -15.853 -0.379 -5.181 492 HA LYS 71 HA LYS 71 -13.773 1.351 -6.151 493 HB2 LYS 71 HB2 LYS 71 -12.540 -0.732 -6.495 494 HB3 LYS 71 HB3 LYS 71 -13.210 -0.646 -4.879 495 HG2 LYS 71 HG2 LYS 71 -14.048 -2.724 -5.308 496 HG3 LYS 71 HG3 LYS 71 -15.274 -1.887 -6.240 497 HD2 LYS 71 HD2 LYS 71 -13.451 -1.999 -8.185 498 HD3 LYS 71 HD3 LYS 71 -12.788 -3.305 -7.222 499 HE2 LYS 71 HE2 LYS 71 -14.972 -4.489 -7.275 500 HE3 LYS 71 HE3 LYS 71 -15.692 -3.163 -8.166 501 HZ1 LYS 71 HZ1 LYS 71 -15.016 -4.288 -9.983 502 HZ2 LYS 71 HZ2 LYS 71 -13.495 -3.812 -9.651 Start of MODEL 18 1 H1 ALA 1 HN ALA 1 2.534 2.241 1.788 2 HA ALA 1 HA ALA 1 4.695 1.167 0.655 3 HB1 ALA 1 HB1 ALA 1 3.301 -1.006 0.727 4 HB2 ALA 1 HB2 ALA 1 2.355 -0.294 -0.601 5 HB3 ALA 1 HB3 ALA 1 4.096 -0.595 -0.811 6 H ASP 2 HN ASP 2 1.261 1.756 -0.389 7 HA ASP 2 HA ASP 2 1.954 4.257 -1.443 8 HB2 ASP 2 HB2 ASP 2 1.151 3.480 -3.857 9 HB3 ASP 2 HB3 ASP 2 2.837 3.353 -3.396 10 HD2 ASP 2 HD2 ASP 2 1.827 0.232 -4.924 11 H ASP 3 HN ASP 3 -0.233 1.482 -2.382 12 HA ASP 3 HA ASP 3 -2.481 3.264 -2.040 13 HB2 ASP 3 HB2 ASP 3 -2.352 1.930 -4.118 14 HB3 ASP 3 HB3 ASP 3 -2.238 0.447 -3.192 15 HD2 ASP 3 HD2 ASP 3 -4.062 -0.578 -3.317 16 H ILE 4 HN ILE 4 -3.796 3.085 -0.205 17 HA ILE 4 HA ILE 4 -3.382 0.702 1.461 18 HB ILE 4 HB ILE 4 -4.164 3.520 2.214 19 HG12 ILE 4 HG1 ILE 4 -1.612 1.946 2.369 20 HG23 ILE 4 HG2 ILE 4 -4.782 2.847 4.259 21 HD11 ILE 4 HD1 ILE 4 -1.762 2.511 4.660 22 H VAL 5 HN VAL 5 -4.973 -0.757 1.117 23 HA VAL 5 HA VAL 5 -7.592 0.216 0.339 24 HB VAL 5 HB VAL 5 -6.360 -2.535 0.545 25 HG13 VAL 5 HG1 VAL 5 -8.828 -2.514 1.025 26 HG21 VAL 5 HG2 VAL 5 -6.449 -0.492 -1.529 27 H LEU 6 HN LEU 6 -9.094 0.706 1.847 28 HA LEU 6 HA LEU 6 -8.756 -0.475 4.497 29 HB2 LEU 6 HB2 LEU 6 -10.527 1.819 3.651 30 HB3 LEU 6 HB3 LEU 6 -10.157 1.311 5.286 31 HG LEU 6 HG LEU 6 -7.974 2.227 3.420 32 HD13 LEU 6 HD1 LEU 6 -8.237 4.489 4.547 33 HD21 LEU 6 HD2 LEU 6 -8.224 1.561 6.285 34 H LYS 7 HN LYS 7 -9.509 -2.604 3.770 35 HA LYS 7 HA LYS 7 -11.800 -3.184 2.475 36 HB2 LYS 7 HB2 LYS 7 -11.826 -5.289 3.788 37 HB3 LYS 7 HB3 LYS 7 -10.247 -4.890 3.141 38 HG2 LYS 7 HG2 LYS 7 -9.466 -5.165 5.262 39 HG3 LYS 7 HG3 LYS 7 -10.196 -3.612 5.617 40 HD2 LYS 7 HD2 LYS 7 -11.421 -4.731 7.180 41 HD3 LYS 7 HD3 LYS 7 -12.384 -5.303 5.832 42 HE2 LYS 7 HE2 LYS 7 -9.853 -6.808 6.507 43 HE3 LYS 7 HE3 LYS 7 -11.239 -7.013 7.560 44 HZ1 LYS 7 HZ1 LYS 7 -12.356 -7.278 5.118 45 HZ2 LYS 7 HZ2 LYS 7 -10.890 -7.930 4.840 46 H ALA 8 HN ALA 8 -13.927 -2.757 2.721 47 HA ALA 8 HA ALA 8 -14.796 -1.974 5.421 48 HB1 ALA 8 HB1 ALA 8 -16.327 -1.074 3.027 49 HB2 ALA 8 HB2 ALA 8 -15.942 -0.205 4.533 50 HB3 ALA 8 HB3 ALA 8 -14.716 -0.350 3.250 51 H LYS 9 HN LYS 9 -17.410 -2.184 5.430 52 HA LYS 9 HA LYS 9 -17.872 -4.965 4.654 53 HB2 LYS 9 HB2 LYS 9 -18.654 -3.266 6.937 54 HB3 LYS 9 HB3 LYS 9 -19.945 -4.270 6.308 55 HG2 LYS 9 HG2 LYS 9 -19.044 -5.975 7.513 56 HG3 LYS 9 HG3 LYS 9 -17.764 -6.022 6.317 57 HD2 LYS 9 HD2 LYS 9 -16.275 -5.419 7.914 58 HD3 LYS 9 HD3 LYS 9 -17.094 -3.878 8.074 59 HE2 LYS 9 HE2 LYS 9 -17.118 -4.843 10.271 60 HE3 LYS 9 HE3 LYS 9 -18.749 -5.036 9.661 61 HZ1 LYS 9 HZ1 LYS 9 -18.465 -7.298 9.425 62 HZ2 LYS 9 HZ2 LYS 9 -16.861 -7.219 9.154 63 H ASN 10 HN ASN 10 -18.314 -1.887 3.448 64 HA ASN 10 HA ASN 10 -20.514 -2.850 1.855 65 HB2 ASN 10 HB2 ASN 10 -20.539 -0.216 3.413 66 HB3 ASN 10 HB3 ASN 10 -21.626 -0.532 2.076 67 HD21 ASN 10 HD2 ASN 10 -23.983 -2.062 4.069 68 H GLY 11 HN GLY 11 -18.012 -2.820 0.869 69 HA2 GLY 11 HA1 GLY 11 -17.251 -1.978 -1.197 70 HA3 GLY 11 HA2 GLY 11 -17.916 -0.405 -0.809 71 H ASP 12 HN ASP 12 -15.053 -1.777 -1.338 72 HA ASP 12 HA ASP 12 -13.633 -1.124 1.001 73 HB2 ASP 12 HB2 ASP 12 -12.212 -1.141 -1.632 74 HB3 ASP 12 HB3 ASP 12 -11.784 -1.947 -0.136 75 HD2 ASP 12 HD2 ASP 12 -12.440 -2.705 -3.094 76 H VAL 13 HN VAL 13 -11.513 0.446 0.495 77 HA VAL 13 HA VAL 13 -12.482 2.821 -0.919 78 HB VAL 13 HB VAL 13 -11.357 2.686 1.883 79 HG13 VAL 13 HG1 VAL 13 -10.739 4.645 0.077 80 HG21 VAL 13 HG2 VAL 13 -13.939 3.996 1.031 81 H LYS 14 HN LYS 14 -11.048 3.312 -2.488 82 HA LYS 14 HA LYS 14 -8.365 2.238 -2.259 83 HB2 LYS 14 HB2 LYS 14 -9.590 1.880 -4.334 84 HB3 LYS 14 HB3 LYS 14 -9.828 3.603 -4.537 85 HG2 LYS 14 HG2 LYS 14 -7.154 3.664 -4.321 86 HG3 LYS 14 HG3 LYS 14 -7.290 1.991 -4.822 87 HD2 LYS 14 HD2 LYS 14 -7.491 2.690 -6.968 88 HD3 LYS 14 HD3 LYS 14 -9.031 3.418 -6.554 89 HE2 LYS 14 HE2 LYS 14 -6.450 4.898 -5.950 90 HE3 LYS 14 HE3 LYS 14 -7.112 4.925 -7.572 91 HZ1 LYS 14 HZ1 LYS 14 -9.241 5.721 -6.549 92 HZ2 LYS 14 HZ2 LYS 14 -8.490 5.847 -5.109 93 H PHE 15 HN PHE 15 -7.411 3.510 -0.621 94 HA PHE 15 HA PHE 15 -7.352 6.383 -1.144 95 HB2 PHE 15 HB2 PHE 15 -7.997 5.346 1.126 96 HB3 PHE 15 HB3 PHE 15 -6.386 4.662 1.218 97 HD1 PHE 15 HD1 PHE 15 -7.306 8.055 0.021 98 HD2 PHE 15 HD2 PHE 15 -5.507 5.750 3.096 99 HE1 PHE 15 HE1 PHE 15 -6.473 10.158 1.110 100 HE2 PHE 15 HE2 PHE 15 -4.675 7.852 4.186 101 HZ PHE 15 HZ PHE 15 -5.168 10.031 3.180 102 HA PRO 16 HA PRO 16 -3.209 5.666 -2.639 103 HB2 PRO 16 HB2 PRO 16 -3.012 8.054 -3.976 104 HB3 PRO 16 HB3 PRO 16 -4.005 6.686 -4.578 105 HG2 PRO 16 HG2 PRO 16 -5.191 9.314 -3.314 106 HG3 PRO 16 HG3 PRO 16 -5.370 7.990 -4.510 107 HD2 PRO 16 HD2 PRO 16 -6.254 8.152 -1.660 108 HD3 PRO 16 HD3 PRO 16 -6.764 7.005 -2.936 109 H HIS 17 HN HIS 17 -2.264 5.727 -0.545 110 HA HIS 17 HA HIS 17 -1.971 8.112 1.016 111 HB2 HIS 17 HB2 HIS 17 -1.829 5.745 1.823 112 HB3 HIS 17 HB3 HIS 17 -0.233 5.584 0.970 113 HD1 HIS 17 HD1 HIS 17 1.740 6.855 1.979 114 HD2 HIS 17 HD2 HIS 17 -1.729 7.025 4.304 115 HE1 HIS 17 HE1 HIS 17 2.474 7.681 4.308 116 H LYS 18 HN LYS 18 0.575 6.352 -0.958 117 HA LYS 18 HA LYS 18 2.595 8.059 -0.815 118 HB2 LYS 18 HB2 LYS 18 1.910 5.965 -2.460 119 HB3 LYS 18 HB3 LYS 18 2.040 7.286 -3.604 120 HG2 LYS 18 HG2 LYS 18 4.302 7.859 -2.606 121 HG3 LYS 18 HG3 LYS 18 4.171 6.440 -1.585 122 HD2 LYS 18 HD2 LYS 18 3.941 5.012 -3.656 123 HD3 LYS 18 HD3 LYS 18 4.166 6.444 -4.641 124 HE2 LYS 18 HE2 LYS 18 6.281 6.255 -2.624 125 HE3 LYS 18 HE3 LYS 18 6.194 4.775 -3.558 126 HZ1 LYS 18 HZ1 LYS 18 7.622 6.459 -4.617 127 HZ2 LYS 18 HZ2 LYS 18 6.369 6.089 -5.588 128 H ALA 19 HN ALA 19 -0.483 8.638 -2.534 129 HA ALA 19 HA ALA 19 0.418 11.002 -3.823 130 HB1 ALA 19 HB1 ALA 19 -1.521 9.465 -4.475 131 HB2 ALA 19 HB2 ALA 19 -2.439 10.223 -3.150 132 HB3 ALA 19 HB3 ALA 19 -1.859 11.212 -4.511 133 H HIS 20 HN HIS 20 -1.425 10.240 -0.889 134 HA HIS 20 HA HIS 20 -1.730 13.026 -0.088 135 HB2 HIS 20 HB2 HIS 20 -2.336 10.293 1.100 136 HB3 HIS 20 HB3 HIS 20 -2.424 11.784 2.132 137 HD1 HIS 20 HD1 HIS 20 -3.814 10.640 -1.213 138 HD2 HIS 20 HD2 HIS 20 -4.930 12.821 2.173 139 HE1 HIS 20 HE1 HIS 20 -6.275 11.316 -1.572 140 H GLN 21 HN GLN 21 1.029 11.289 -0.410 141 HA GLN 21 HA GLN 21 2.134 11.918 2.169 142 HB2 GLN 21 HB2 GLN 21 2.614 9.867 0.456 143 HB3 GLN 21 HB3 GLN 21 3.874 10.962 -0.076 144 HG2 GLN 21 HG2 GLN 21 3.434 10.021 2.797 145 HG3 GLN 21 HG3 GLN 21 4.693 9.451 1.719 146 HE21 GLN 21 HE2 GLN 21 5.193 12.748 3.969 147 H LYS 22 HN LYS 22 1.242 13.857 -0.218 148 HA LYS 22 HA LYS 22 3.183 15.822 0.381 149 HB2 LYS 22 HB2 LYS 22 4.054 14.102 -1.584 150 HB3 LYS 22 HB3 LYS 22 3.302 15.372 -2.528 151 HG2 LYS 22 HG2 LYS 22 5.302 15.922 -0.288 152 HG3 LYS 22 HG3 LYS 22 5.771 15.740 -1.967 153 HD2 LYS 22 HD2 LYS 22 3.557 17.601 -1.846 154 HD3 LYS 22 HD3 LYS 22 4.745 18.088 -0.653 155 HE2 LYS 22 HE2 LYS 22 6.116 18.888 -2.275 156 HE3 LYS 22 HE3 LYS 22 6.149 17.326 -3.070 157 HZ1 LYS 22 HZ1 LYS 22 4.200 17.898 -4.310 158 HZ2 LYS 22 HZ2 LYS 22 3.903 19.231 -3.424 159 H ALA 23 HN ALA 23 0.510 15.798 0.866 160 HA ALA 23 HA ALA 23 -0.372 17.935 -0.859 161 HB1 ALA 23 HB1 ALA 23 -1.406 15.177 -1.050 162 HB2 ALA 23 HB2 ALA 23 -2.670 16.404 -0.792 163 HB3 ALA 23 HB3 ALA 23 -1.567 16.539 -2.184 164 H VAL 24 HN VAL 24 0.536 17.484 1.958 165 HA VAL 24 HA VAL 24 -1.764 18.727 3.204 166 HB VAL 24 HB VAL 24 -0.530 16.600 4.839 167 HG13 VAL 24 HG1 VAL 24 -3.039 18.109 4.640 168 HG21 VAL 24 HG2 VAL 24 -2.431 15.905 2.574 169 HA PRO 25 HA PRO 25 1.747 21.410 3.920 170 HB2 PRO 25 HB2 PRO 25 -0.421 22.306 5.878 171 HB3 PRO 25 HB3 PRO 25 0.731 23.275 4.902 172 HG2 PRO 25 HG2 PRO 25 -1.765 22.814 4.109 173 HG3 PRO 25 HG3 PRO 25 -0.567 22.882 2.776 174 HD2 PRO 25 HD2 PRO 25 -2.047 20.556 3.917 175 HD3 PRO 25 HD3 PRO 25 -1.142 20.670 2.378 176 H ASP 26 HN ASP 26 -0.140 19.449 6.280 177 HA ASP 26 HA ASP 26 2.285 19.431 7.898 178 HB2 ASP 26 HB2 ASP 26 -0.276 20.339 8.659 179 HB3 ASP 26 HB3 ASP 26 -0.187 18.727 9.338 180 HD2 ASP 26 HD2 ASP 26 1.183 21.946 9.763 181 H CYS 27 HN CYS 27 3.078 17.421 7.066 182 HA CYS 27 HA CYS 27 1.589 15.277 6.292 183 HB2 CYS 27 HB2 CYS 27 4.141 15.751 6.171 184 HB3 CYS 27 HB3 CYS 27 4.216 14.910 7.706 185 H LYS 28 HN LYS 28 2.219 16.566 9.502 186 HA LYS 28 HA LYS 28 1.309 14.095 10.757 187 HB2 LYS 28 HB2 LYS 28 1.995 16.396 12.467 188 HB3 LYS 28 HB3 LYS 28 2.473 14.715 12.586 189 HG2 LYS 28 HG2 LYS 28 3.935 15.231 10.445 190 HG3 LYS 28 HG3 LYS 28 3.710 16.910 10.896 191 HD2 LYS 28 HD2 LYS 28 5.513 16.617 12.258 192 HD3 LYS 28 HD3 LYS 28 4.409 15.779 13.330 193 HE2 LYS 28 HE2 LYS 28 5.795 14.295 11.067 194 HE3 LYS 28 HE3 LYS 28 6.612 14.558 12.595 195 HZ1 LYS 28 HZ1 LYS 28 4.000 13.177 12.277 196 HZ2 LYS 28 HZ2 LYS 28 5.417 12.453 12.622 197 H LYS 29 HN LYS 29 -0.339 16.057 9.047 198 HA LYS 29 HA LYS 29 -2.035 17.461 10.786 199 HB2 LYS 29 HB2 LYS 29 -1.815 18.022 8.430 200 HB3 LYS 29 HB3 LYS 29 -2.445 16.457 7.955 201 HG2 LYS 29 HG2 LYS 29 -4.638 16.952 8.773 202 HG3 LYS 29 HG3 LYS 29 -4.068 18.281 9.763 203 HD2 LYS 29 HD2 LYS 29 -3.881 18.307 6.718 204 HD3 LYS 29 HD3 LYS 29 -5.276 18.923 7.580 205 HE2 LYS 29 HE2 LYS 29 -2.761 19.977 8.694 206 HE3 LYS 29 HE3 LYS 29 -2.917 20.345 6.988 207 HZ1 LYS 29 HZ1 LYS 29 -4.933 20.975 9.078 208 HZ2 LYS 29 HZ2 LYS 29 -4.002 22.055 8.289 209 H CYS 30 HN CYS 30 -2.119 14.139 9.394 210 HA CYS 30 HA CYS 30 -4.564 13.637 10.875 211 HB2 CYS 30 HB2 CYS 30 -3.286 11.468 9.288 212 HB3 CYS 30 HB3 CYS 30 -4.977 11.901 9.450 213 H HIS 31 HN HIS 31 -1.325 12.229 10.340 214 HA HIS 31 HA HIS 31 -1.359 10.391 12.518 215 HB2 HIS 31 HB2 HIS 31 0.891 11.745 10.942 216 HB3 HIS 31 HB3 HIS 31 1.175 10.461 12.195 217 HD1 HIS 31 HD1 HIS 31 -0.410 8.236 11.612 218 HD2 HIS 31 HD2 HIS 31 0.845 10.672 8.455 219 HE1 HIS 31 HE1 HIS 31 -0.553 6.787 9.486 220 H GLU 32 HN GLU 32 0.315 13.649 12.301 221 HA GLU 32 HA GLU 32 0.821 15.105 13.829 222 HB2 GLU 32 HB2 GLU 32 -1.744 14.616 14.377 223 HB3 GLU 32 HB3 GLU 32 -1.090 13.945 15.858 224 HG2 GLU 32 HG2 GLU 32 0.054 16.073 16.371 225 HG3 GLU 32 HG3 GLU 32 -0.447 16.751 14.834 226 HE2 GLU 32 HE2 GLU 32 -1.613 18.354 16.470 227 H LYS 33 HN LYS 33 -0.043 12.284 15.961 228 HA LYS 33 HA LYS 33 2.190 12.638 17.607 229 HB2 LYS 33 HB2 LYS 33 0.024 10.641 17.264 230 HB3 LYS 33 HB3 LYS 33 1.485 10.046 18.024 231 HG2 LYS 33 HG2 LYS 33 1.388 11.766 19.750 232 HG3 LYS 33 HG3 LYS 33 0.105 12.616 18.914 233 HD2 LYS 33 HD2 LYS 33 -1.130 10.224 19.155 234 HD3 LYS 33 HD3 LYS 33 -0.030 10.064 20.509 235 HE2 LYS 33 HE2 LYS 33 -1.288 12.725 20.453 236 HE3 LYS 33 HE3 LYS 33 -2.487 11.449 20.503 237 HZ1 LYS 33 HZ1 LYS 33 -0.177 11.470 22.358 238 HZ2 LYS 33 HZ2 LYS 33 -1.579 12.211 22.727 239 H GLY 34 HN GLY 34 1.567 9.822 15.398 240 HA2 GLY 34 HA1 GLY 34 4.168 10.069 14.194 241 HA3 GLY 34 HA2 GLY 34 4.071 8.764 15.361 242 HA PRO 35 HA PRO 35 2.315 7.206 11.366 243 HB2 PRO 35 HB2 PRO 35 4.654 5.547 10.943 244 HB3 PRO 35 HB3 PRO 35 4.150 7.017 10.047 245 HG2 PRO 35 HG2 PRO 35 6.675 7.292 11.816 246 HG3 PRO 35 HG3 PRO 35 5.335 8.221 11.067 247 HD2 PRO 35 HD2 PRO 35 5.300 6.807 13.812 248 HD3 PRO 35 HD3 PRO 35 5.380 8.576 13.550 249 H GLY 36 HN GLY 36 2.212 4.640 10.755 250 HA2 GLY 36 HA1 GLY 36 2.192 2.447 11.578 251 HA3 GLY 36 HA2 GLY 36 2.314 3.048 13.221 252 H LYS 37 HN LYS 37 0.448 1.446 13.493 253 HA LYS 37 HA LYS 37 -2.030 1.920 12.305 254 HB2 LYS 37 HB2 LYS 37 -0.928 0.019 13.974 255 HB3 LYS 37 HB3 LYS 37 -2.093 0.801 15.024 256 HG2 LYS 37 HG2 LYS 37 -3.078 -1.116 13.732 257 HG3 LYS 37 HG3 LYS 37 -3.908 0.399 13.439 258 HD2 LYS 37 HD2 LYS 37 -3.109 0.588 11.255 259 HD3 LYS 37 HD3 LYS 37 -1.619 -0.266 11.607 260 HE2 LYS 37 HE2 LYS 37 -3.698 -2.160 12.057 261 HE3 LYS 37 HE3 LYS 37 -4.144 -1.323 10.583 262 HZ1 LYS 37 HZ1 LYS 37 -2.116 -1.947 9.569 263 HZ2 LYS 37 HZ2 LYS 37 -1.398 -2.358 10.970 264 H ILE 38 HN ILE 38 -2.555 4.130 12.271 265 HA ILE 38 HA ILE 38 -2.294 6.006 14.132 266 HB ILE 38 HB ILE 38 -4.551 5.399 12.254 267 HG12 ILE 38 HG1 ILE 38 -2.163 7.214 12.309 268 HG23 ILE 38 HG2 ILE 38 -5.540 7.577 12.725 269 HD11 ILE 38 HD1 ILE 38 -3.875 8.820 11.804 270 H GLU 39 HN GLU 39 -3.105 6.604 16.124 271 HA GLU 39 HA GLU 39 -3.773 4.874 17.951 272 HB2 GLU 39 HB2 GLU 39 -3.626 7.520 17.991 273 HB3 GLU 39 HB3 GLU 39 -5.376 7.439 17.927 274 HG2 GLU 39 HG2 GLU 39 -5.450 6.983 20.144 275 HG3 GLU 39 HG3 GLU 39 -4.526 5.517 19.884 276 HE2 GLU 39 HE2 GLU 39 -3.806 6.601 22.144 277 H GLY 40 HN GLY 40 -5.059 3.086 17.428 278 HA2 GLY 40 HA1 GLY 40 -6.905 1.977 16.632 279 HA3 GLY 40 HA2 GLY 40 -7.608 2.838 17.985 280 H PHE 41 HN PHE 41 -7.075 2.896 14.440 281 HA PHE 41 HA PHE 41 -8.431 5.255 13.890 282 HB2 PHE 41 HB2 PHE 41 -6.974 3.804 12.365 283 HB3 PHE 41 HB3 PHE 41 -8.252 2.605 12.332 284 HD1 PHE 41 HD1 PHE 41 -10.654 3.748 11.689 285 HD2 PHE 41 HD2 PHE 41 -6.822 5.130 10.498 286 HE1 PHE 41 HE1 PHE 41 -11.684 4.901 9.711 287 HE2 PHE 41 HE2 PHE 41 -7.853 6.283 8.520 288 HZ PHE 41 HZ PHE 41 -10.271 6.154 8.150 289 H GLY 42 HN GLY 42 -10.591 5.740 13.330 290 HA2 GLY 42 HA1 GLY 42 -12.546 3.586 13.866 291 HA3 GLY 42 HA2 GLY 42 -12.713 5.190 14.551 292 H LYS 43 HN LYS 43 -14.636 3.904 12.791 293 HA LYS 43 HA LYS 43 -14.292 4.918 10.158 294 HB2 LYS 43 HB2 LYS 43 -16.849 3.978 11.482 295 HB3 LYS 43 HB3 LYS 43 -16.507 4.067 9.766 296 HG2 LYS 43 HG2 LYS 43 -14.729 2.403 11.576 297 HG3 LYS 43 HG3 LYS 43 -16.262 1.757 11.025 298 HD2 LYS 43 HD2 LYS 43 -14.633 1.029 9.417 299 HD3 LYS 43 HD3 LYS 43 -15.533 2.311 8.633 300 HE2 LYS 43 HE2 LYS 43 -13.183 3.282 10.169 301 HE3 LYS 43 HE3 LYS 43 -12.762 2.203 8.854 302 HZ1 LYS 43 HZ1 LYS 43 -14.654 4.414 8.369 303 HZ2 LYS 43 HZ2 LYS 43 -13.053 4.706 8.349 304 H GLU 44 HN GLU 44 -16.494 5.825 12.907 305 HA GLU 44 HA GLU 44 -17.732 7.914 11.873 306 HB2 GLU 44 HB2 GLU 44 -18.389 7.739 14.044 307 HB3 GLU 44 HB3 GLU 44 -16.822 7.158 14.571 308 HG2 GLU 44 HG2 GLU 44 -15.948 9.535 14.431 309 HG3 GLU 44 HG3 GLU 44 -17.569 10.072 14.035 310 HE2 GLU 44 HE2 GLU 44 -16.495 10.006 17.608 311 H MET 45 HN MET 45 -14.313 7.867 12.993 312 HA MET 45 HA MET 45 -13.902 10.606 12.744 313 HB2 MET 45 HB2 MET 45 -12.448 8.305 13.527 314 HB3 MET 45 HB3 MET 45 -11.554 8.900 12.141 315 HG2 MET 45 HG2 MET 45 -10.551 10.146 13.845 316 HG3 MET 45 HG3 MET 45 -11.807 11.262 13.348 317 HE1 MET 45 HE1 MET 45 -12.016 7.875 15.622 318 HE2 MET 45 HE2 MET 45 -10.485 8.766 15.793 319 HE3 MET 45 HE3 MET 45 -11.642 8.718 17.144 320 H ALA 46 HN ALA 46 -13.589 7.864 10.436 321 HA ALA 46 HA ALA 46 -12.192 9.034 8.417 322 HB1 ALA 46 HB1 ALA 46 -13.169 7.378 7.014 323 HB2 ALA 46 HB2 ALA 46 -13.163 6.665 8.645 324 HB3 ALA 46 HB3 ALA 46 -14.668 7.337 7.973 325 H HIS 47 HN HIS 47 -15.755 8.931 8.619 326 HA HIS 47 HA HIS 47 -16.190 10.904 6.588 327 HB2 HIS 47 HB2 HIS 47 -18.050 10.055 8.874 328 HB3 HIS 47 HB3 HIS 47 -18.517 10.812 7.290 329 HD1 HIS 47 HD1 HIS 47 -18.948 7.830 8.809 330 HD2 HIS 47 HD2 HIS 47 -17.157 8.793 5.158 331 HE1 HIS 47 HE1 HIS 47 -19.051 5.693 7.371 332 H GLY 48 HN GLY 48 -14.966 11.212 9.791 333 HA2 GLY 48 HA1 GLY 48 -16.077 13.849 10.278 334 HA3 GLY 48 HA2 GLY 48 -14.950 12.956 11.280 335 H LYS 49 HN LYS 49 -13.212 14.325 11.539 336 HA LYS 49 HA LYS 49 -12.200 15.662 9.146 337 HB2 LYS 49 HB2 LYS 49 -12.564 17.213 10.876 338 HB3 LYS 49 HB3 LYS 49 -11.910 16.152 12.106 339 HG2 LYS 49 HG2 LYS 49 -9.739 16.755 11.662 340 HG3 LYS 49 HG3 LYS 49 -9.986 16.757 9.927 341 HD2 LYS 49 HD2 LYS 49 -10.825 18.979 9.912 342 HD3 LYS 49 HD3 LYS 49 -11.238 18.943 11.614 343 HE2 LYS 49 HE2 LYS 49 -8.480 18.481 11.651 344 HE3 LYS 49 HE3 LYS 49 -8.659 19.608 10.322 345 HZ1 LYS 49 HZ1 LYS 49 -9.069 20.072 13.140 346 HZ2 LYS 49 HZ2 LYS 49 -8.713 21.144 11.966 347 H GLY 50 HN GLY 50 -11.749 13.089 8.758 348 HA2 GLY 50 HA1 GLY 50 -8.880 12.868 9.050 349 HA3 GLY 50 HA2 GLY 50 -9.793 11.667 9.940 350 H CYS 51 HN CYS 51 -11.045 13.091 6.919 351 HA CYS 51 HA CYS 51 -9.969 11.315 5.112 352 HB2 CYS 51 HB2 CYS 51 -11.442 9.797 6.744 353 HB3 CYS 51 HB3 CYS 51 -12.724 10.327 5.672 354 H LYS 52 HN LYS 52 -13.460 12.084 5.774 355 HA LYS 52 HA LYS 52 -13.626 13.420 3.233 356 HB2 LYS 52 HB2 LYS 52 -15.399 11.896 4.064 357 HB3 LYS 52 HB3 LYS 52 -15.720 13.000 5.386 358 HG2 LYS 52 HG2 LYS 52 -15.864 14.754 3.293 359 HG3 LYS 52 HG3 LYS 52 -16.356 13.287 2.472 360 HD2 LYS 52 HD2 LYS 52 -18.395 14.197 3.292 361 HD3 LYS 52 HD3 LYS 52 -18.016 12.917 4.427 362 HE2 LYS 52 HE2 LYS 52 -16.705 14.952 5.663 363 HE3 LYS 52 HE3 LYS 52 -17.915 15.897 4.817 364 HZ1 LYS 52 HZ1 LYS 52 -18.837 15.260 6.910 365 HZ2 LYS 52 HZ2 LYS 52 -19.606 14.337 5.811 366 H GLY 53 HN GLY 53 -13.943 14.279 6.737 367 HA2 GLY 53 HA1 GLY 53 -14.628 16.844 6.747 368 HA3 GLY 53 HA2 GLY 53 -13.327 16.228 7.746 369 H CYS 54 HN CYS 54 -11.111 15.950 6.461 370 HA CYS 54 HA CYS 54 -10.041 18.304 5.947 371 HB2 CYS 54 HB2 CYS 54 -9.042 15.866 5.846 372 HB3 CYS 54 HB3 CYS 54 -9.234 16.061 4.114 373 H HIS 55 HN HIS 55 -11.222 16.143 3.353 374 HA HIS 55 HA HIS 55 -11.062 17.842 1.160 375 HB2 HIS 55 HB2 HIS 55 -13.300 15.827 1.748 376 HB3 HIS 55 HB3 HIS 55 -12.758 16.423 0.121 377 HD1 HIS 55 HD1 HIS 55 -12.834 13.443 1.238 378 HD2 HIS 55 HD2 HIS 55 -9.445 15.847 0.782 379 HE1 HIS 55 HE1 HIS 55 -10.835 11.832 1.006 380 H GLU 56 HN GLU 56 -13.789 17.614 3.570 381 HA GLU 56 HA GLU 56 -15.261 19.616 2.241 382 HB2 GLU 56 HB2 GLU 56 -16.295 17.869 3.687 383 HB3 GLU 56 HB3 GLU 56 -15.499 18.553 5.091 384 HG2 GLU 56 HG2 GLU 56 -16.937 20.356 5.209 385 HG3 GLU 56 HG3 GLU 56 -17.073 20.503 3.468 386 HE2 GLU 56 HE2 GLU 56 -18.065 18.210 5.977 387 H GLU 57 HN GLU 57 -12.562 19.601 4.445 388 HA GLU 57 HA GLU 57 -13.137 22.252 5.396 389 HB2 GLU 57 HB2 GLU 57 -11.852 20.131 6.540 390 HB3 GLU 57 HB3 GLU 57 -10.469 21.000 5.905 391 HG2 GLU 57 HG2 GLU 57 -12.277 22.910 7.128 392 HG3 GLU 57 HG3 GLU 57 -12.002 21.599 8.258 393 HE2 GLU 57 HE2 GLU 57 -8.730 21.518 7.661 394 H MET 58 HN MET 58 -10.261 20.684 3.795 395 HA MET 58 HA MET 58 -9.193 23.117 2.985 396 HB2 MET 58 HB2 MET 58 -8.361 20.488 3.072 397 HB3 MET 58 HB3 MET 58 -8.647 20.649 1.351 398 HG2 MET 58 HG2 MET 58 -6.761 21.893 1.069 399 HG3 MET 58 HG3 MET 58 -7.221 22.999 2.350 400 HE1 MET 58 HE1 MET 58 -3.852 22.454 2.939 401 HE2 MET 58 HE2 MET 58 -5.279 23.515 3.030 402 HE3 MET 58 HE3 MET 58 -4.639 22.757 4.508 403 H LYS 59 HN LYS 59 -11.831 21.223 1.736 404 HA LYS 59 HA LYS 59 -13.201 21.544 0.032 405 HB2 LYS 59 HB2 LYS 59 -11.924 24.156 0.318 406 HB3 LYS 59 HB3 LYS 59 -12.425 23.847 -1.331 407 HG2 LYS 59 HG2 LYS 59 -14.648 23.960 -0.806 408 HG3 LYS 59 HG3 LYS 59 -14.453 22.987 0.638 409 HD2 LYS 59 HD2 LYS 59 -13.201 25.263 1.475 410 HD3 LYS 59 HD3 LYS 59 -14.313 25.966 0.318 411 HE2 LYS 59 HE2 LYS 59 -15.213 24.020 2.489 412 HE3 LYS 59 HE3 LYS 59 -15.182 25.756 2.730 413 HZ1 LYS 59 HZ1 LYS 59 -17.364 24.954 1.946 414 HZ2 LYS 59 HZ2 LYS 59 -16.725 26.008 0.880 415 H LYS 60 HN LYS 60 -11.149 19.733 -0.264 416 HA LYS 60 HA LYS 60 -10.873 19.748 -3.119 417 HB2 LYS 60 HB2 LYS 60 -8.313 19.294 -2.811 418 HB3 LYS 60 HB3 LYS 60 -8.917 20.934 -2.941 419 HG2 LYS 60 HG2 LYS 60 -8.869 21.213 -0.502 420 HG3 LYS 60 HG3 LYS 60 -8.474 19.522 -0.270 421 HD2 LYS 60 HD2 LYS 60 -6.336 20.410 -0.134 422 HD3 LYS 60 HD3 LYS 60 -6.402 20.125 -1.862 423 HE2 LYS 60 HE2 LYS 60 -7.480 22.761 -0.911 424 HE3 LYS 60 HE3 LYS 60 -5.747 22.539 -0.779 425 HZ1 LYS 60 HZ1 LYS 60 -5.633 22.955 -2.969 426 HZ2 LYS 60 HZ2 LYS 60 -6.479 21.603 -3.299 427 H GLY 61 HN GLY 61 -11.012 17.677 -3.878 428 HA2 GLY 61 HA1 GLY 61 -10.284 15.374 -3.613 429 HA3 GLY 61 HA2 GLY 61 -10.604 15.517 -1.896 430 HA PRO 62 HA PRO 62 -14.435 13.967 -4.091 431 HB2 PRO 62 HB2 PRO 62 -13.969 11.275 -3.122 432 HB3 PRO 62 HB3 PRO 62 -13.854 11.893 -4.801 433 HG2 PRO 62 HG2 PRO 62 -12.012 11.036 -3.220 434 HG3 PRO 62 HG3 PRO 62 -11.198 11.780 -4.635 435 HD2 PRO 62 HD2 PRO 62 -11.458 12.793 -1.887 436 HD3 PRO 62 HD3 PRO 62 -10.578 13.531 -3.260 437 H THR 63 HN THR 63 -16.401 13.954 -2.937 438 HA THR 63 HA THR 63 -16.132 13.504 -0.036 439 HB THR 63 HB THR 63 -18.207 15.170 -0.113 440 HG1 THR 63 HG1 THR 63 -16.644 15.844 -2.492 441 HG21 THR 63 HG2 THR 63 -16.293 16.117 0.921 442 H LYS 64 HN LYS 64 -18.014 12.966 -3.018 443 HA LYS 64 HA LYS 64 -20.232 11.780 -1.848 444 HB2 LYS 64 HB2 LYS 64 -18.912 11.455 -4.548 445 HB3 LYS 64 HB3 LYS 64 -20.390 10.617 -4.124 446 HG2 LYS 64 HG2 LYS 64 -20.206 13.605 -3.664 447 HG3 LYS 64 HG3 LYS 64 -20.485 13.008 -5.288 448 HD2 LYS 64 HD2 LYS 64 -22.589 12.123 -4.762 449 HD3 LYS 64 HD3 LYS 64 -22.182 11.862 -3.078 450 HE2 LYS 64 HE2 LYS 64 -22.499 14.647 -4.287 451 HE3 LYS 64 HE3 LYS 64 -23.827 13.779 -3.540 452 HZ1 LYS 64 HZ1 LYS 64 -21.296 14.191 -2.066 453 HZ2 LYS 64 HZ2 LYS 64 -22.452 15.338 -2.064 454 H CYS 65 HN CYS 65 -20.820 9.449 -1.780 455 HA CYS 65 HA CYS 65 -18.850 8.028 -0.368 456 HB2 CYS 65 HB2 CYS 65 -21.169 6.552 -1.479 457 HB3 CYS 65 HB3 CYS 65 -20.488 6.542 0.135 458 H GLY 66 HN GLY 66 -20.558 7.311 -3.513 459 HA2 GLY 66 HA1 GLY 66 -19.164 5.187 -4.411 460 HA3 GLY 66 HA2 GLY 66 -19.749 6.469 -5.451 461 H GLU 67 HN GLU 67 -17.954 8.504 -4.011 462 HA GLU 67 HA GLU 67 -15.774 8.185 -5.759 463 HB2 GLU 67 HB2 GLU 67 -16.333 10.152 -3.500 464 HB3 GLU 67 HB3 GLU 67 -14.917 10.259 -4.527 465 HG2 GLU 67 HG2 GLU 67 -17.708 10.113 -5.727 466 HG3 GLU 67 HG3 GLU 67 -17.039 11.640 -5.189 467 HE2 GLU 67 HE2 GLU 67 -15.116 9.412 -7.829 468 H CYS 68 HN CYS 68 -16.306 7.730 -2.230 469 HA CYS 68 HA CYS 68 -13.526 6.993 -1.901 470 HB2 CYS 68 HB2 CYS 68 -15.755 7.752 -0.091 471 HB3 CYS 68 HB3 CYS 68 -14.642 6.554 0.539 472 H HIS 69 HN HIS 69 -16.824 5.706 -1.528 473 HA HIS 69 HA HIS 69 -15.807 2.933 -1.255 474 HB2 HIS 69 HB2 HIS 69 -18.619 4.151 -1.082 475 HB3 HIS 69 HB3 HIS 69 -18.209 2.404 -0.805 476 HD1 HIS 69 HD1 HIS 69 -16.455 2.058 1.222 477 HD2 HIS 69 HD2 HIS 69 -18.621 5.633 1.204 478 HE1 HIS 69 HE1 HIS 69 -16.347 2.976 3.628 479 H LYS 70 HN LYS 70 -16.039 1.323 -2.804 480 HA LYS 70 HA LYS 70 -16.733 2.294 -5.456 481 HB2 LYS 70 HB2 LYS 70 -14.711 1.244 -5.640 482 HB3 LYS 70 HB3 LYS 70 -15.037 0.114 -4.341 483 HG2 LYS 70 HG2 LYS 70 -16.164 -1.382 -5.723 484 HG3 LYS 70 HG3 LYS 70 -16.770 -0.125 -6.781 485 HD2 LYS 70 HD2 LYS 70 -14.148 0.157 -7.353 486 HD3 LYS 70 HD3 LYS 70 -14.094 -1.510 -6.814 487 HE2 LYS 70 HE2 LYS 70 -16.345 -1.482 -8.475 488 HE3 LYS 70 HE3 LYS 70 -15.260 -0.372 -9.286 489 HZ1 LYS 70 HZ1 LYS 70 -13.873 -2.063 -9.827 490 HZ2 LYS 70 HZ2 LYS 70 -13.958 -2.781 -8.367 491 H LYS 71 HN LYS 71 -18.937 2.311 -5.714 492 HA LYS 71 HA LYS 71 -20.253 -0.270 -5.242 493 HB2 LYS 71 HB2 LYS 71 -20.969 2.428 -4.255 494 HB3 LYS 71 HB3 LYS 71 -22.292 1.518 -4.957 495 HG2 LYS 71 HG2 LYS 71 -21.529 -0.468 -3.487 496 HG3 LYS 71 HG3 LYS 71 -20.478 0.665 -2.661 497 HD2 LYS 71 HD2 LYS 71 -22.243 1.800 -1.654 498 HD3 LYS 71 HD3 LYS 71 -23.341 1.505 -2.989 499 HE2 LYS 71 HE2 LYS 71 -22.898 -1.075 -2.071 500 HE3 LYS 71 HE3 LYS 71 -22.805 -0.159 -0.580 501 HZ1 LYS 71 HZ1 LYS 71 -25.054 0.116 -2.498 502 HZ2 LYS 71 HZ2 LYS 71 -25.103 -0.863 -1.199 Start of MODEL 19 1 H1 ALA 1 HN ALA 1 2.985 2.507 2.332 2 HA ALA 1 HA ALA 1 3.686 1.166 0.250 3 HB1 ALA 1 HB1 ALA 1 0.988 0.393 -0.302 4 HB2 ALA 1 HB2 ALA 1 2.421 -0.649 -0.131 5 HB3 ALA 1 HB3 ALA 1 1.423 -0.267 1.293 6 H ASP 2 HN ASP 2 1.665 1.562 -1.749 7 HA ASP 2 HA ASP 2 1.662 4.426 -1.694 8 HB2 ASP 2 HB2 ASP 2 0.493 3.887 -4.049 9 HB3 ASP 2 HB3 ASP 2 2.228 3.762 -3.836 10 HD2 ASP 2 HD2 ASP 2 2.963 1.649 -4.673 11 H ASP 3 HN ASP 3 -0.782 1.969 -2.833 12 HA ASP 3 HA ASP 3 -2.869 3.738 -1.959 13 HB2 ASP 3 HB2 ASP 3 -4.360 2.006 -3.051 14 HB3 ASP 3 HB3 ASP 3 -3.178 2.721 -4.130 15 HD2 ASP 3 HD2 ASP 3 -2.862 0.113 -5.453 16 H ILE 4 HN ILE 4 -3.938 3.429 0.010 17 HA ILE 4 HA ILE 4 -3.405 0.910 1.405 18 HB ILE 4 HB ILE 4 -4.149 3.663 2.384 19 HG12 ILE 4 HG1 ILE 4 -1.646 1.994 2.425 20 HG23 ILE 4 HG2 ILE 4 -3.641 1.290 4.173 21 HD11 ILE 4 HD1 ILE 4 -1.568 2.522 4.684 22 H VAL 5 HN VAL 5 -4.972 -0.590 1.185 23 HA VAL 5 HA VAL 5 -7.632 0.249 0.474 24 HB VAL 5 HB VAL 5 -6.296 -2.424 0.906 25 HG13 VAL 5 HG1 VAL 5 -8.874 -2.490 -0.475 26 HG21 VAL 5 HG2 VAL 5 -5.569 -2.014 -1.174 27 H LEU 6 HN LEU 6 -9.304 0.582 1.856 28 HA LEU 6 HA LEU 6 -8.851 -0.236 4.639 29 HB2 LEU 6 HB2 LEU 6 -10.721 1.919 3.671 30 HB3 LEU 6 HB3 LEU 6 -10.197 1.599 5.313 31 HG LEU 6 HG LEU 6 -8.253 2.432 3.156 32 HD13 LEU 6 HD1 LEU 6 -9.370 4.373 3.039 33 HD21 LEU 6 HD2 LEU 6 -8.158 2.044 6.105 34 H LYS 7 HN LYS 7 -9.591 -2.416 4.229 35 HA LYS 7 HA LYS 7 -11.824 -3.203 2.949 36 HB2 LYS 7 HB2 LYS 7 -10.614 -4.226 5.528 37 HB3 LYS 7 HB3 LYS 7 -11.915 -5.052 4.695 38 HG2 LYS 7 HG2 LYS 7 -10.344 -4.835 2.570 39 HG3 LYS 7 HG3 LYS 7 -9.075 -4.565 3.749 40 HD2 LYS 7 HD2 LYS 7 -9.701 -6.719 4.890 41 HD3 LYS 7 HD3 LYS 7 -10.929 -6.994 3.669 42 HE2 LYS 7 HE2 LYS 7 -9.312 -8.071 2.480 43 HE3 LYS 7 HE3 LYS 7 -8.661 -6.484 2.122 44 HZ1 LYS 7 HZ1 LYS 7 -7.889 -8.063 4.518 45 HZ2 LYS 7 HZ2 LYS 7 -7.014 -8.013 3.145 46 H ALA 8 HN ALA 8 -13.940 -2.685 3.025 47 HA ALA 8 HA ALA 8 -14.957 -1.691 5.599 48 HB1 ALA 8 HB1 ALA 8 -16.496 -0.732 3.360 49 HB2 ALA 8 HB2 ALA 8 -15.572 0.202 4.561 50 HB3 ALA 8 HB3 ALA 8 -14.776 -0.371 3.076 51 H LYS 9 HN LYS 9 -17.260 -2.164 6.001 52 HA LYS 9 HA LYS 9 -17.926 -4.762 4.877 53 HB2 LYS 9 HB2 LYS 9 -17.846 -4.315 7.365 54 HB3 LYS 9 HB3 LYS 9 -19.253 -3.290 7.168 55 HG2 LYS 9 HG2 LYS 9 -20.483 -5.234 6.125 56 HG3 LYS 9 HG3 LYS 9 -19.088 -6.249 6.426 57 HD2 LYS 9 HD2 LYS 9 -19.383 -5.309 8.933 58 HD3 LYS 9 HD3 LYS 9 -21.034 -5.060 8.401 59 HE2 LYS 9 HE2 LYS 9 -20.701 -7.590 7.479 60 HE3 LYS 9 HE3 LYS 9 -19.524 -7.636 8.776 61 HZ1 LYS 9 HZ1 LYS 9 -21.465 -8.207 9.873 62 HZ2 LYS 9 HZ2 LYS 9 -21.491 -6.600 10.137 63 H ASN 10 HN ASN 10 -18.085 -2.518 3.090 64 HA ASN 10 HA ASN 10 -20.538 -2.967 1.999 65 HB2 ASN 10 HB2 ASN 10 -21.435 -1.684 3.976 66 HB3 ASN 10 HB3 ASN 10 -20.442 -0.311 3.527 67 HD21 ASN 10 HD2 ASN 10 -22.558 0.951 1.085 68 H GLY 11 HN GLY 11 -18.030 -2.884 0.934 69 HA2 GLY 11 HA1 GLY 11 -17.408 -1.970 -1.164 70 HA3 GLY 11 HA2 GLY 11 -18.035 -0.411 -0.669 71 H ASP 12 HN ASP 12 -15.217 -1.810 -1.404 72 HA ASP 12 HA ASP 12 -13.671 -1.233 0.879 73 HB2 ASP 12 HB2 ASP 12 -12.884 -2.882 -0.724 74 HB3 ASP 12 HB3 ASP 12 -13.005 -1.744 -2.050 75 HD2 ASP 12 HD2 ASP 12 -9.864 -0.774 -1.840 76 H VAL 13 HN VAL 13 -11.704 0.398 0.613 77 HA VAL 13 HA VAL 13 -12.553 2.746 -0.923 78 HB VAL 13 HB VAL 13 -11.596 2.699 1.947 79 HG13 VAL 13 HG1 VAL 13 -12.639 5.199 0.727 80 HG21 VAL 13 HG2 VAL 13 -14.286 3.542 0.819 81 H LYS 14 HN LYS 14 -11.016 2.946 -2.474 82 HA LYS 14 HA LYS 14 -8.309 2.115 -1.841 83 HB2 LYS 14 HB2 LYS 14 -7.952 1.975 -4.120 84 HB3 LYS 14 HB3 LYS 14 -9.644 1.540 -3.988 85 HG2 LYS 14 HG2 LYS 14 -8.601 4.334 -4.655 86 HG3 LYS 14 HG3 LYS 14 -9.228 3.190 -5.825 87 HD2 LYS 14 HD2 LYS 14 -11.404 3.158 -4.423 88 HD3 LYS 14 HD3 LYS 14 -10.754 4.535 -3.555 89 HE2 LYS 14 HE2 LYS 14 -12.282 5.122 -5.515 90 HE3 LYS 14 HE3 LYS 14 -10.716 5.906 -5.541 91 HZ1 LYS 14 HZ1 LYS 14 -10.081 4.705 -7.358 92 HZ2 LYS 14 HZ2 LYS 14 -10.839 3.337 -6.904 93 H PHE 15 HN PHE 15 -7.007 3.545 -0.828 94 HA PHE 15 HA PHE 15 -7.232 6.341 -1.695 95 HB2 PHE 15 HB2 PHE 15 -8.092 6.147 0.583 96 HB3 PHE 15 HB3 PHE 15 -6.853 4.990 1.027 97 HD1 PHE 15 HD1 PHE 15 -4.602 5.732 1.595 98 HD2 PHE 15 HD2 PHE 15 -7.618 8.530 0.549 99 HE1 PHE 15 HE1 PHE 15 -3.201 7.592 2.529 100 HE2 PHE 15 HE2 PHE 15 -6.216 10.389 1.484 101 HZ PHE 15 HZ PHE 15 -4.024 9.899 2.463 102 HA PRO 16 HA PRO 16 -2.938 5.648 -2.595 103 HB2 PRO 16 HB2 PRO 16 -2.559 7.992 -3.960 104 HB3 PRO 16 HB3 PRO 16 -3.520 6.634 -4.629 105 HG2 PRO 16 HG2 PRO 16 -4.770 9.308 -3.494 106 HG3 PRO 16 HG3 PRO 16 -4.832 8.016 -4.737 107 HD2 PRO 16 HD2 PRO 16 -6.098 8.147 -2.054 108 HD3 PRO 16 HD3 PRO 16 -6.384 6.970 -3.373 109 H HIS 17 HN HIS 17 -2.032 5.738 -0.538 110 HA HIS 17 HA HIS 17 -1.945 8.130 1.070 111 HB2 HIS 17 HB2 HIS 17 -1.848 5.836 1.969 112 HB3 HIS 17 HB3 HIS 17 -0.257 5.567 1.133 113 HD1 HIS 17 HD1 HIS 17 1.766 6.833 2.098 114 HD2 HIS 17 HD2 HIS 17 -1.686 7.102 4.438 115 HE1 HIS 17 HE1 HIS 17 2.531 7.664 4.414 116 H LYS 18 HN LYS 18 0.786 6.402 -0.670 117 HA LYS 18 HA LYS 18 2.710 8.247 -0.368 118 HB2 LYS 18 HB2 LYS 18 3.248 6.225 -1.442 119 HB3 LYS 18 HB3 LYS 18 2.031 6.441 -2.684 120 HG2 LYS 18 HG2 LYS 18 3.896 8.702 -2.666 121 HG3 LYS 18 HG3 LYS 18 4.765 7.188 -2.822 122 HD2 LYS 18 HD2 LYS 18 3.453 6.544 -4.778 123 HD3 LYS 18 HD3 LYS 18 2.342 7.879 -4.543 124 HE2 LYS 18 HE2 LYS 18 3.764 9.409 -5.509 125 HE3 LYS 18 HE3 LYS 18 5.187 8.717 -4.757 126 HZ1 LYS 18 HZ1 LYS 18 3.790 7.436 -7.042 127 HZ2 LYS 18 HZ2 LYS 18 5.085 8.408 -7.218 128 H ALA 19 HN ALA 19 -0.247 8.551 -2.276 129 HA ALA 19 HA ALA 19 0.685 10.799 -3.774 130 HB1 ALA 19 HB1 ALA 19 -2.148 9.812 -3.261 131 HB2 ALA 19 HB2 ALA 19 -1.608 10.878 -4.579 132 HB3 ALA 19 HB3 ALA 19 -1.076 9.181 -4.533 133 H HIS 20 HN HIS 20 -1.370 10.217 -0.943 134 HA HIS 20 HA HIS 20 -1.951 13.011 -0.445 135 HB2 HIS 20 HB2 HIS 20 -2.414 10.342 0.865 136 HB3 HIS 20 HB3 HIS 20 -2.458 11.805 1.941 137 HD1 HIS 20 HD1 HIS 20 -4.050 10.603 -1.285 138 HD2 HIS 20 HD2 HIS 20 -4.918 12.966 2.051 139 HE1 HIS 20 HE1 HIS 20 -6.518 11.307 -1.525 140 H GLN 21 HN GLN 21 0.958 11.313 -0.275 141 HA GLN 21 HA GLN 21 1.858 12.608 2.130 142 HB2 GLN 21 HB2 GLN 21 2.551 10.239 0.793 143 HB3 GLN 21 HB3 GLN 21 3.917 11.292 0.488 144 HG2 GLN 21 HG2 GLN 21 2.760 10.525 3.205 145 HG3 GLN 21 HG3 GLN 21 4.333 10.090 2.566 146 HE21 GLN 21 HE2 GLN 21 3.605 13.726 4.316 147 H LYS 22 HN LYS 22 1.060 13.947 -0.606 148 HA LYS 22 HA LYS 22 3.295 15.793 -0.557 149 HB2 LYS 22 HB2 LYS 22 2.979 13.827 -2.633 150 HB3 LYS 22 HB3 LYS 22 2.692 15.418 -3.309 151 HG2 LYS 22 HG2 LYS 22 4.870 16.085 -3.018 152 HG3 LYS 22 HG3 LYS 22 5.003 15.323 -1.445 153 HD2 LYS 22 HD2 LYS 22 5.345 13.120 -2.468 154 HD3 LYS 22 HD3 LYS 22 4.999 13.755 -4.065 155 HE2 LYS 22 HE2 LYS 22 7.003 15.380 -3.653 156 HE3 LYS 22 HE3 LYS 22 7.418 14.334 -2.310 157 HZ1 LYS 22 HZ1 LYS 22 7.767 13.850 -5.106 158 HZ2 LYS 22 HZ2 LYS 22 8.445 13.070 -3.847 159 H ALA 23 HN ALA 23 0.328 15.517 0.221 160 HA ALA 23 HA ALA 23 -0.555 17.883 -1.284 161 HB1 ALA 23 HB1 ALA 23 -2.520 16.885 -1.787 162 HB2 ALA 23 HB2 ALA 23 -1.703 15.356 -1.380 163 HB3 ALA 23 HB3 ALA 23 -2.682 16.196 -0.152 164 H VAL 24 HN VAL 24 0.716 16.836 1.558 165 HA VAL 24 HA VAL 24 -0.903 18.751 3.086 166 HB VAL 24 HB VAL 24 0.454 16.462 4.433 167 HG13 VAL 24 HG1 VAL 24 -1.366 16.704 6.023 168 HG21 VAL 24 HG2 VAL 24 -0.713 15.363 2.588 169 HA PRO 25 HA PRO 25 3.275 20.545 2.333 170 HB2 PRO 25 HB2 PRO 25 1.669 22.608 3.889 171 HB3 PRO 25 HB3 PRO 25 2.794 22.808 2.505 172 HG2 PRO 25 HG2 PRO 25 0.052 22.733 2.196 173 HG3 PRO 25 HG3 PRO 25 1.258 22.223 0.971 174 HD2 PRO 25 HD2 PRO 25 -0.630 20.594 2.620 175 HD3 PRO 25 HD3 PRO 25 0.268 20.130 1.142 176 H ASP 26 HN ASP 26 1.252 20.102 5.288 177 HA ASP 26 HA ASP 26 3.774 19.938 6.736 178 HB2 ASP 26 HB2 ASP 26 2.210 22.011 7.187 179 HB3 ASP 26 HB3 ASP 26 1.182 20.864 8.022 180 HD2 ASP 26 HD2 ASP 26 4.466 21.866 7.929 181 H CYS 27 HN CYS 27 3.674 17.583 6.481 182 HA CYS 27 HA CYS 27 1.434 16.045 6.892 183 HB2 CYS 27 HB2 CYS 27 3.397 15.138 5.865 184 HB3 CYS 27 HB3 CYS 27 4.362 15.424 7.299 185 H LYS 28 HN LYS 28 1.133 14.474 8.836 186 HA LYS 28 HA LYS 28 1.136 14.024 11.044 187 HB2 LYS 28 HB2 LYS 28 2.394 16.677 11.721 188 HB3 LYS 28 HB3 LYS 28 2.400 15.188 12.645 189 HG2 LYS 28 HG2 LYS 28 3.561 14.558 10.105 190 HG3 LYS 28 HG3 LYS 28 4.277 16.077 10.606 191 HD2 LYS 28 HD2 LYS 28 5.536 15.048 12.192 192 HD3 LYS 28 HD3 LYS 28 4.127 14.275 12.891 193 HE2 LYS 28 HE2 LYS 28 5.461 13.235 10.353 194 HE3 LYS 28 HE3 LYS 28 5.952 12.709 11.951 195 HZ1 LYS 28 HZ1 LYS 28 3.263 12.371 10.744 196 HZ2 LYS 28 HZ2 LYS 28 4.304 11.188 11.156 197 H LYS 29 HN LYS 29 -0.740 15.565 9.232 198 HA LYS 29 HA LYS 29 -2.102 17.273 11.143 199 HB2 LYS 29 HB2 LYS 29 -1.809 18.061 8.842 200 HB3 LYS 29 HB3 LYS 29 -2.659 16.659 8.226 201 HG2 LYS 29 HG2 LYS 29 -4.645 17.701 8.534 202 HG3 LYS 29 HG3 LYS 29 -4.329 17.833 10.252 203 HD2 LYS 29 HD2 LYS 29 -4.645 20.083 9.480 204 HD3 LYS 29 HD3 LYS 29 -2.921 19.913 9.739 205 HE2 LYS 29 HE2 LYS 29 -2.613 19.435 7.290 206 HE3 LYS 29 HE3 LYS 29 -4.336 19.642 7.042 207 HZ1 LYS 29 HZ1 LYS 29 -3.400 21.735 6.576 208 HZ2 LYS 29 HZ2 LYS 29 -3.973 21.941 8.086 209 H CYS 30 HN CYS 30 -2.349 14.082 9.561 210 HA CYS 30 HA CYS 30 -4.924 13.677 10.849 211 HB2 CYS 30 HB2 CYS 30 -3.836 11.436 9.295 212 HB3 CYS 30 HB3 CYS 30 -5.406 12.210 9.211 213 H HIS 31 HN HIS 31 -1.753 12.091 10.409 214 HA HIS 31 HA HIS 31 -1.927 10.041 12.290 215 HB2 HIS 31 HB2 HIS 31 0.347 11.743 11.198 216 HB3 HIS 31 HB3 HIS 31 0.665 10.498 12.482 217 HD1 HIS 31 HD1 HIS 31 0.229 8.041 11.817 218 HD2 HIS 31 HD2 HIS 31 0.067 10.737 8.627 219 HE1 HIS 31 HE1 HIS 31 0.404 6.625 9.670 220 H GLU 32 HN GLU 32 -0.334 13.279 12.965 221 HA GLU 32 HA GLU 32 -0.018 14.346 14.834 222 HB2 GLU 32 HB2 GLU 32 -2.666 14.284 14.493 223 HB3 GLU 32 HB3 GLU 32 -2.628 13.351 15.977 224 HG2 GLU 32 HG2 GLU 32 -2.214 15.200 17.233 225 HG3 GLU 32 HG3 GLU 32 -0.881 15.686 16.206 226 HE2 GLU 32 HE2 GLU 32 -3.347 17.097 17.305 227 H LYS 33 HN LYS 33 1.669 13.518 16.021 228 HA LYS 33 HA LYS 33 2.157 12.691 18.190 229 HB2 LYS 33 HB2 LYS 33 0.174 10.522 17.450 230 HB3 LYS 33 HB3 LYS 33 1.225 10.447 18.851 231 HG2 LYS 33 HG2 LYS 33 0.180 12.315 19.899 232 HG3 LYS 33 HG3 LYS 33 -0.519 12.889 18.398 233 HD2 LYS 33 HD2 LYS 33 -1.641 10.362 18.584 234 HD3 LYS 33 HD3 LYS 33 -1.517 10.806 20.275 235 HE2 LYS 33 HE2 LYS 33 -2.533 13.005 18.562 236 HE3 LYS 33 HE3 LYS 33 -3.561 11.587 18.547 237 HZ1 LYS 33 HZ1 LYS 33 -3.943 11.765 20.823 238 HZ2 LYS 33 HZ2 LYS 33 -2.583 12.607 21.131 239 H GLY 34 HN GLY 34 1.682 10.629 15.257 240 HA2 GLY 34 HA1 GLY 34 4.308 10.468 14.517 241 HA3 GLY 34 HA2 GLY 34 4.117 9.176 15.685 242 HA PRO 35 HA PRO 35 2.557 7.656 11.584 243 HB2 PRO 35 HB2 PRO 35 4.900 5.952 11.322 244 HB3 PRO 35 HB3 PRO 35 4.443 7.394 10.357 245 HG2 PRO 35 HG2 PRO 35 6.881 7.758 12.214 246 HG3 PRO 35 HG3 PRO 35 5.540 8.640 11.412 247 HD2 PRO 35 HD2 PRO 35 5.426 7.228 14.156 248 HD3 PRO 35 HD3 PRO 35 5.519 8.998 13.909 249 H GLY 36 HN GLY 36 3.359 4.825 11.135 250 HA2 GLY 36 HA1 GLY 36 3.043 2.741 11.986 251 HA3 GLY 36 HA2 GLY 36 2.845 3.414 13.592 252 H LYS 37 HN LYS 37 1.046 1.762 13.706 253 HA LYS 37 HA LYS 37 -1.245 2.169 12.072 254 HB2 LYS 37 HB2 LYS 37 -0.461 0.406 14.345 255 HB3 LYS 37 HB3 LYS 37 -2.177 0.672 14.103 256 HG2 LYS 37 HG2 LYS 37 -0.208 -0.330 11.993 257 HG3 LYS 37 HG3 LYS 37 -1.408 -1.302 12.820 258 HD2 LYS 37 HD2 LYS 37 -2.999 0.719 11.833 259 HD3 LYS 37 HD3 LYS 37 -1.760 0.658 10.596 260 HE2 LYS 37 HE2 LYS 37 -2.253 -2.034 10.951 261 HE3 LYS 37 HE3 LYS 37 -3.836 -1.367 11.299 262 HZ1 LYS 37 HZ1 LYS 37 -3.066 -1.854 8.830 263 HZ2 LYS 37 HZ2 LYS 37 -4.058 -0.605 9.155 264 H ILE 38 HN ILE 38 -2.566 3.896 12.198 265 HA ILE 38 HA ILE 38 -2.470 5.780 14.202 266 HB ILE 38 HB ILE 38 -4.582 5.054 12.183 267 HG12 ILE 38 HG1 ILE 38 -2.283 6.973 12.315 268 HG23 ILE 38 HG2 ILE 38 -5.713 7.145 12.674 269 HD11 ILE 38 HD1 ILE 38 -4.825 7.314 10.657 270 H GLU 39 HN GLU 39 -3.414 6.052 16.191 271 HA GLU 39 HA GLU 39 -4.048 4.030 17.746 272 HB2 GLU 39 HB2 GLU 39 -3.991 6.644 18.163 273 HB3 GLU 39 HB3 GLU 39 -5.731 6.532 17.995 274 HG2 GLU 39 HG2 GLU 39 -4.520 4.464 19.771 275 HG3 GLU 39 HG3 GLU 39 -4.363 6.110 20.353 276 HE2 GLU 39 HE2 GLU 39 -6.149 4.574 21.814 277 H GLY 40 HN GLY 40 -5.245 2.296 16.915 278 HA2 GLY 40 HA1 GLY 40 -7.017 1.275 15.858 279 HA3 GLY 40 HA2 GLY 40 -7.789 1.870 17.315 280 H PHE 41 HN PHE 41 -7.257 2.443 13.834 281 HA PHE 41 HA PHE 41 -8.582 4.855 13.577 282 HB2 PHE 41 HB2 PHE 41 -7.239 3.686 11.814 283 HB3 PHE 41 HB3 PHE 41 -8.378 2.354 11.796 284 HD1 PHE 41 HD1 PHE 41 -10.884 3.083 11.255 285 HD2 PHE 41 HD2 PHE 41 -7.425 5.288 10.167 286 HE1 PHE 41 HE1 PHE 41 -12.181 4.216 9.429 287 HE2 PHE 41 HE2 PHE 41 -8.723 6.422 8.341 288 HZ PHE 41 HZ PHE 41 -11.085 5.872 7.995 289 H GLY 42 HN GLY 42 -10.751 5.384 12.860 290 HA2 GLY 42 HA1 GLY 42 -12.743 3.269 13.398 291 HA3 GLY 42 HA2 GLY 42 -12.876 4.859 14.124 292 H LYS 43 HN LYS 43 -14.820 3.633 12.327 293 HA LYS 43 HA LYS 43 -14.461 4.759 9.734 294 HB2 LYS 43 HB2 LYS 43 -17.116 3.865 10.818 295 HB3 LYS 43 HB3 LYS 43 -16.474 3.730 9.194 296 HG2 LYS 43 HG2 LYS 43 -15.646 2.122 11.647 297 HG3 LYS 43 HG3 LYS 43 -16.407 1.518 10.189 298 HD2 LYS 43 HD2 LYS 43 -14.389 1.231 9.197 299 HD3 LYS 43 HD3 LYS 43 -13.989 2.920 9.435 300 HE2 LYS 43 HE2 LYS 43 -12.399 1.240 10.544 301 HE3 LYS 43 HE3 LYS 43 -13.008 2.507 11.590 302 HZ1 LYS 43 HZ1 LYS 43 -13.876 -0.317 11.504 303 HZ2 LYS 43 HZ2 LYS 43 -13.341 0.528 12.789 304 H GLU 44 HN GLU 44 -16.605 5.518 12.568 305 HA GLU 44 HA GLU 44 -17.892 7.639 11.586 306 HB2 GLU 44 HB2 GLU 44 -18.166 6.644 13.875 307 HB3 GLU 44 HB3 GLU 44 -16.700 7.456 14.388 308 HG2 GLU 44 HG2 GLU 44 -18.998 8.615 14.869 309 HG3 GLU 44 HG3 GLU 44 -17.676 9.601 14.277 310 HE2 GLU 44 HE2 GLU 44 -18.185 10.678 12.226 311 H MET 45 HN MET 45 -14.498 7.524 12.750 312 HA MET 45 HA MET 45 -14.108 10.286 12.709 313 HB2 MET 45 HB2 MET 45 -12.645 7.920 13.340 314 HB3 MET 45 HB3 MET 45 -11.709 8.690 12.075 315 HG2 MET 45 HG2 MET 45 -10.819 9.874 13.841 316 HG3 MET 45 HG3 MET 45 -12.229 10.887 13.599 317 HE1 MET 45 HE1 MET 45 -10.740 8.109 16.386 318 HE2 MET 45 HE2 MET 45 -10.124 9.653 15.747 319 HE3 MET 45 HE3 MET 45 -10.956 9.609 17.320 320 H ALA 46 HN ALA 46 -13.890 7.729 10.222 321 HA ALA 46 HA ALA 46 -12.380 8.998 8.318 322 HB1 ALA 46 HB1 ALA 46 -14.862 7.405 7.642 323 HB2 ALA 46 HB2 ALA 46 -13.280 7.416 6.825 324 HB3 ALA 46 HB3 ALA 46 -13.456 6.630 8.412 325 H HIS 47 HN HIS 47 -15.945 8.939 8.467 326 HA HIS 47 HA HIS 47 -16.319 11.046 6.559 327 HB2 HIS 47 HB2 HIS 47 -18.273 10.165 8.745 328 HB3 HIS 47 HB3 HIS 47 -18.642 10.890 7.121 329 HD1 HIS 47 HD1 HIS 47 -19.081 7.912 8.723 330 HD2 HIS 47 HD2 HIS 47 -17.284 8.849 5.066 331 HE1 HIS 47 HE1 HIS 47 -19.144 5.752 7.316 332 H GLY 48 HN GLY 48 -15.176 11.113 9.813 333 HA2 GLY 48 HA1 GLY 48 -16.290 13.657 10.556 334 HA3 GLY 48 HA2 GLY 48 -15.035 12.751 11.378 335 H LYS 49 HN LYS 49 -13.205 13.970 11.543 336 HA LYS 49 HA LYS 49 -12.480 15.575 9.190 337 HB2 LYS 49 HB2 LYS 49 -12.767 16.277 11.950 338 HB3 LYS 49 HB3 LYS 49 -11.071 16.415 11.531 339 HG2 LYS 49 HG2 LYS 49 -11.760 17.750 9.471 340 HG3 LYS 49 HG3 LYS 49 -13.410 17.717 10.060 341 HD2 LYS 49 HD2 LYS 49 -11.052 18.844 11.642 342 HD3 LYS 49 HD3 LYS 49 -12.144 19.820 10.680 343 HE2 LYS 49 HE2 LYS 49 -13.858 18.251 12.292 344 HE3 LYS 49 HE3 LYS 49 -12.542 18.688 13.363 345 HZ1 LYS 49 HZ1 LYS 49 -13.428 20.901 11.755 346 HZ2 LYS 49 HZ2 LYS 49 -14.619 20.318 12.702 347 H GLY 50 HN GLY 50 -11.915 12.916 8.959 348 HA2 GLY 50 HA1 GLY 50 -9.003 12.944 9.104 349 HA3 GLY 50 HA2 GLY 50 -9.818 11.676 10.000 350 H CYS 51 HN CYS 51 -11.115 13.088 6.973 351 HA CYS 51 HA CYS 51 -9.986 11.326 5.179 352 HB2 CYS 51 HB2 CYS 51 -11.466 9.791 6.782 353 HB3 CYS 51 HB3 CYS 51 -12.742 10.316 5.701 354 H LYS 52 HN LYS 52 -13.423 12.278 5.948 355 HA LYS 52 HA LYS 52 -13.585 13.550 3.347 356 HB2 LYS 52 HB2 LYS 52 -15.380 12.040 4.063 357 HB3 LYS 52 HB3 LYS 52 -15.683 13.032 5.475 358 HG2 LYS 52 HG2 LYS 52 -16.154 14.992 3.926 359 HG3 LYS 52 HG3 LYS 52 -15.988 13.903 2.563 360 HD2 LYS 52 HD2 LYS 52 -18.171 13.344 2.799 361 HD3 LYS 52 HD3 LYS 52 -17.777 12.586 4.330 362 HE2 LYS 52 HE2 LYS 52 -19.229 14.123 5.212 363 HE3 LYS 52 HE3 LYS 52 -17.865 15.219 5.111 364 HZ1 LYS 52 HZ1 LYS 52 -19.966 14.901 3.033 365 HZ2 LYS 52 HZ2 LYS 52 -19.788 16.185 4.018 366 H GLY 53 HN GLY 53 -14.324 14.432 6.799 367 HA2 GLY 53 HA1 GLY 53 -14.859 17.007 6.731 368 HA3 GLY 53 HA2 GLY 53 -13.720 16.352 7.889 369 H CYS 54 HN CYS 54 -11.425 15.804 6.556 370 HA CYS 54 HA CYS 54 -10.112 18.113 6.341 371 HB2 CYS 54 HB2 CYS 54 -9.541 15.426 5.783 372 HB3 CYS 54 HB3 CYS 54 -9.120 16.275 4.308 373 H HIS 55 HN HIS 55 -11.387 16.258 3.563 374 HA HIS 55 HA HIS 55 -10.936 18.151 1.530 375 HB2 HIS 55 HB2 HIS 55 -13.285 16.190 1.703 376 HB3 HIS 55 HB3 HIS 55 -12.499 16.866 0.213 377 HD1 HIS 55 HD1 HIS 55 -12.815 13.834 1.631 378 HD2 HIS 55 HD2 HIS 55 -9.394 16.042 0.688 379 HE1 HIS 55 HE1 HIS 55 -10.898 12.126 1.400 380 H GLU 56 HN GLU 56 -13.782 17.799 3.767 381 HA GLU 56 HA GLU 56 -15.329 19.729 2.551 382 HB2 GLU 56 HB2 GLU 56 -16.251 18.184 4.196 383 HB3 GLU 56 HB3 GLU 56 -15.192 18.801 5.450 384 HG2 GLU 56 HG2 GLU 56 -17.115 20.009 5.949 385 HG3 GLU 56 HG3 GLU 56 -16.346 21.136 4.848 386 HE2 GLU 56 HE2 GLU 56 -17.168 21.221 2.760 387 H GLU 57 HN GLU 57 -12.533 19.959 4.714 388 HA GLU 57 HA GLU 57 -13.053 22.756 5.175 389 HB2 GLU 57 HB2 GLU 57 -11.212 20.683 6.310 390 HB3 GLU 57 HB3 GLU 57 -10.628 22.335 6.333 391 HG2 GLU 57 HG2 GLU 57 -13.411 22.304 7.175 392 HG3 GLU 57 HG3 GLU 57 -12.519 21.119 8.109 393 HE2 GLU 57 HE2 GLU 57 -11.969 22.061 9.892 394 H MET 58 HN MET 58 -10.415 20.668 3.792 395 HA MET 58 HA MET 58 -8.978 22.834 2.789 396 HB2 MET 58 HB2 MET 58 -8.621 20.080 3.069 397 HB3 MET 58 HB3 MET 58 -8.786 20.227 1.331 398 HG2 MET 58 HG2 MET 58 -6.569 20.769 1.320 399 HG3 MET 58 HG3 MET 58 -7.068 22.338 1.919 400 HE1 MET 58 HE1 MET 58 -4.218 19.687 3.519 401 HE2 MET 58 HE2 MET 58 -4.637 20.463 1.973 402 HE3 MET 58 HE3 MET 58 -3.924 21.427 3.288 403 H LYS 59 HN LYS 59 -11.991 21.577 1.838 404 HA LYS 59 HA LYS 59 -13.272 21.801 0.053 405 HB2 LYS 59 HB2 LYS 59 -11.612 24.245 0.100 406 HB3 LYS 59 HB3 LYS 59 -12.374 23.912 -1.441 407 HG2 LYS 59 HG2 LYS 59 -14.506 24.248 -0.625 408 HG3 LYS 59 HG3 LYS 59 -14.144 23.520 0.927 409 HD2 LYS 59 HD2 LYS 59 -12.641 25.687 1.278 410 HD3 LYS 59 HD3 LYS 59 -13.639 26.361 0.007 411 HE2 LYS 59 HE2 LYS 59 -14.996 24.957 2.318 412 HE3 LYS 59 HE3 LYS 59 -14.360 26.570 2.574 413 HZ1 LYS 59 HZ1 LYS 59 -16.775 26.098 1.527 414 HZ2 LYS 59 HZ2 LYS 59 -15.944 27.466 1.228 415 H LYS 60 HN LYS 60 -10.574 20.253 -0.024 416 HA LYS 60 HA LYS 60 -10.554 19.977 -2.949 417 HB2 LYS 60 HB2 LYS 60 -8.385 20.655 -1.180 418 HB3 LYS 60 HB3 LYS 60 -8.069 19.092 -1.905 419 HG2 LYS 60 HG2 LYS 60 -7.197 20.563 -3.521 420 HG3 LYS 60 HG3 LYS 60 -8.794 20.229 -4.160 421 HD2 LYS 60 HD2 LYS 60 -9.382 22.370 -2.557 422 HD3 LYS 60 HD3 LYS 60 -7.719 22.750 -2.954 423 HE2 LYS 60 HE2 LYS 60 -9.920 22.149 -4.988 424 HE3 LYS 60 HE3 LYS 60 -9.319 23.747 -4.594 425 HZ1 LYS 60 HZ1 LYS 60 -7.380 21.714 -5.457 426 HZ2 LYS 60 HZ2 LYS 60 -8.305 22.426 -6.593 427 H GLY 61 HN GLY 61 -10.481 17.844 -3.769 428 HA2 GLY 61 HA1 GLY 61 -10.274 15.524 -3.509 429 HA3 GLY 61 HA2 GLY 61 -10.574 15.677 -1.789 430 HA PRO 62 HA PRO 62 -14.636 14.746 -3.803 431 HB2 PRO 62 HB2 PRO 62 -14.649 11.998 -3.814 432 HB3 PRO 62 HB3 PRO 62 -13.892 12.973 -5.115 433 HG2 PRO 62 HG2 PRO 62 -12.529 11.398 -2.947 434 HG3 PRO 62 HG3 PRO 62 -11.803 11.940 -4.495 435 HD2 PRO 62 HD2 PRO 62 -11.625 13.155 -1.819 436 HD3 PRO 62 HD3 PRO 62 -10.813 13.672 -3.328 437 H THR 63 HN THR 63 -16.555 14.340 -2.564 438 HA THR 63 HA THR 63 -16.029 13.332 0.155 439 HB THR 63 HB THR 63 -17.664 15.013 0.933 440 HG1 THR 63 HG1 THR 63 -18.653 16.339 -0.740 441 HG21 THR 63 HG2 THR 63 -16.562 17.131 -0.411 442 H LYS 64 HN LYS 64 -17.546 12.779 -2.822 443 HA LYS 64 HA LYS 64 -19.992 11.720 -1.861 444 HB2 LYS 64 HB2 LYS 64 -18.484 11.496 -4.472 445 HB3 LYS 64 HB3 LYS 64 -19.995 10.655 -4.193 446 HG2 LYS 64 HG2 LYS 64 -19.938 13.575 -3.490 447 HG3 LYS 64 HG3 LYS 64 -19.873 13.181 -5.195 448 HD2 LYS 64 HD2 LYS 64 -21.914 11.667 -4.817 449 HD3 LYS 64 HD3 LYS 64 -22.024 12.338 -3.202 450 HE2 LYS 64 HE2 LYS 64 -22.940 14.289 -3.957 451 HE3 LYS 64 HE3 LYS 64 -21.751 14.454 -5.233 452 HZ1 LYS 64 HZ1 LYS 64 -24.382 13.240 -5.359 453 HZ2 LYS 64 HZ2 LYS 64 -23.533 13.973 -6.538 454 H CYS 65 HN CYS 65 -20.615 9.419 -1.863 455 HA CYS 65 HA CYS 65 -18.718 7.906 -0.438 456 HB2 CYS 65 HB2 CYS 65 -21.026 6.489 -1.615 457 HB3 CYS 65 HB3 CYS 65 -20.419 6.499 0.028 458 H GLY 66 HN GLY 66 -20.389 7.315 -3.628 459 HA2 GLY 66 HA1 GLY 66 -19.038 5.179 -4.559 460 HA3 GLY 66 HA2 GLY 66 -19.567 6.506 -5.576 461 H GLU 67 HN GLU 67 -17.722 8.419 -3.989 462 HA GLU 67 HA GLU 67 -15.512 8.065 -5.717 463 HB2 GLU 67 HB2 GLU 67 -16.096 10.049 -3.482 464 HB3 GLU 67 HB3 GLU 67 -14.640 10.116 -4.455 465 HG2 GLU 67 HG2 GLU 67 -17.408 10.070 -5.725 466 HG3 GLU 67 HG3 GLU 67 -16.658 11.569 -5.215 467 HE2 GLU 67 HE2 GLU 67 -14.449 9.414 -7.700 468 H CYS 68 HN CYS 68 -16.115 7.744 -2.171 469 HA CYS 68 HA CYS 68 -13.387 6.910 -1.758 470 HB2 CYS 68 HB2 CYS 68 -15.692 7.640 -0.011 471 HB3 CYS 68 HB3 CYS 68 -14.536 6.497 0.644 472 H HIS 69 HN HIS 69 -16.713 5.667 -1.508 473 HA HIS 69 HA HIS 69 -15.745 2.881 -1.198 474 HB2 HIS 69 HB2 HIS 69 -18.545 4.137 -1.141 475 HB3 HIS 69 HB3 HIS 69 -18.170 2.384 -0.848 476 HD1 HIS 69 HD1 HIS 69 -16.577 1.977 1.265 477 HD2 HIS 69 HD2 HIS 69 -18.552 5.658 1.128 478 HE1 HIS 69 HE1 HIS 69 -16.539 2.902 3.670 479 H LYS 70 HN LYS 70 -16.600 1.138 -2.619 480 HA LYS 70 HA LYS 70 -17.303 2.123 -5.287 481 HB2 LYS 70 HB2 LYS 70 -14.886 1.703 -5.254 482 HB3 LYS 70 HB3 LYS 70 -15.153 0.077 -4.658 483 HG2 LYS 70 HG2 LYS 70 -16.809 0.097 -6.871 484 HG3 LYS 70 HG3 LYS 70 -15.534 1.177 -7.404 485 HD2 LYS 70 HD2 LYS 70 -15.050 -1.609 -6.246 486 HD3 LYS 70 HD3 LYS 70 -15.109 -1.253 -7.961 487 HE2 LYS 70 HE2 LYS 70 -12.885 -0.800 -7.847 488 HE3 LYS 70 HE3 LYS 70 -13.301 0.657 -6.965 489 HZ1 LYS 70 HZ1 LYS 70 -12.862 -0.373 -4.938 490 HZ2 LYS 70 HZ2 LYS 70 -13.092 -1.886 -5.493 491 H LYS 71 HN LYS 71 -19.136 1.189 -6.016 492 HA LYS 71 HA LYS 71 -19.645 -1.559 -5.685 493 HB2 LYS 71 HB2 LYS 71 -20.186 -1.165 -3.422 494 HB3 LYS 71 HB3 LYS 71 -21.026 0.330 -3.779 495 HG2 LYS 71 HG2 LYS 71 -22.344 -1.635 -5.348 496 HG3 LYS 71 HG3 LYS 71 -22.048 -2.416 -3.808 497 HD2 LYS 71 HD2 LYS 71 -23.007 0.373 -3.524 498 HD3 LYS 71 HD3 LYS 71 -24.147 -0.660 -4.363 499 HE2 LYS 71 HE2 LYS 71 -22.875 -1.305 -1.659 500 HE3 LYS 71 HE3 LYS 71 -24.491 -0.661 -1.875 501 HZ1 LYS 71 HZ1 LYS 71 -24.848 -2.712 -3.357 502 HZ2 LYS 71 HZ2 LYS 71 -23.499 -3.324 -2.681 Start of MODEL 20 1 H1 ALA 1 HN ALA 1 2.857 0.479 2.067 2 HA ALA 1 HA ALA 1 3.645 1.108 -0.241 3 HB1 ALA 1 HB1 ALA 1 0.747 0.223 0.025 4 HB2 ALA 1 HB2 ALA 1 1.871 -0.149 -1.305 5 HB3 ALA 1 HB3 ALA 1 2.145 -0.841 0.313 6 H ASP 2 HN ASP 2 1.492 1.609 -2.152 7 HA ASP 2 HA ASP 2 1.507 4.472 -1.895 8 HB2 ASP 2 HB2 ASP 2 0.321 4.120 -4.269 9 HB3 ASP 2 HB3 ASP 2 2.058 3.963 -4.088 10 HD2 ASP 2 HD2 ASP 2 0.210 1.032 -5.684 11 H ASP 3 HN ASP 3 -0.926 2.066 -3.164 12 HA ASP 3 HA ASP 3 -3.028 3.752 -2.193 13 HB2 ASP 3 HB2 ASP 3 -4.463 1.860 -3.243 14 HB3 ASP 3 HB3 ASP 3 -3.494 2.838 -4.327 15 HD2 ASP 3 HD2 ASP 3 -2.134 -0.042 -2.553 16 H ILE 4 HN ILE 4 -4.113 3.364 -0.243 17 HA ILE 4 HA ILE 4 -3.547 0.799 1.067 18 HB ILE 4 HB ILE 4 -4.133 3.538 2.183 19 HG12 ILE 4 HG1 ILE 4 -1.704 1.792 1.986 20 HG23 ILE 4 HG2 ILE 4 -5.234 1.457 3.340 21 HD11 ILE 4 HD1 ILE 4 -1.637 2.076 4.326 22 H VAL 5 HN VAL 5 -5.181 -0.629 0.862 23 HA VAL 5 HA VAL 5 -7.841 0.359 0.338 24 HB VAL 5 HB VAL 5 -6.505 -2.335 0.402 25 HG13 VAL 5 HG1 VAL 5 -8.468 -3.198 1.112 26 HG21 VAL 5 HG2 VAL 5 -6.849 -2.364 -1.919 27 H LEU 6 HN LEU 6 -9.407 0.663 1.843 28 HA LEU 6 HA LEU 6 -8.804 -0.300 4.542 29 HB2 LEU 6 HB2 LEU 6 -10.781 1.825 3.721 30 HB3 LEU 6 HB3 LEU 6 -10.228 1.445 5.341 31 HG LEU 6 HG LEU 6 -8.355 2.448 3.190 32 HD13 LEU 6 HD1 LEU 6 -8.897 4.606 3.528 33 HD21 LEU 6 HD2 LEU 6 -8.031 1.546 5.906 34 H LYS 7 HN LYS 7 -9.468 -2.503 3.997 35 HA LYS 7 HA LYS 7 -11.701 -3.373 2.849 36 HB2 LYS 7 HB2 LYS 7 -11.680 -5.233 4.566 37 HB3 LYS 7 HB3 LYS 7 -10.177 -4.948 3.715 38 HG2 LYS 7 HG2 LYS 7 -9.077 -4.374 5.627 39 HG3 LYS 7 HG3 LYS 7 -10.357 -3.289 6.134 40 HD2 LYS 7 HD2 LYS 7 -11.551 -5.774 6.495 41 HD3 LYS 7 HD3 LYS 7 -9.879 -6.126 6.881 42 HE2 LYS 7 HE2 LYS 7 -11.391 -3.764 8.086 43 HE3 LYS 7 HE3 LYS 7 -11.331 -5.342 8.846 44 HZ1 LYS 7 HZ1 LYS 7 -8.743 -4.291 8.072 45 HZ2 LYS 7 HZ2 LYS 7 -9.485 -3.435 9.243 46 H ALA 8 HN ALA 8 -13.738 -2.590 2.886 47 HA ALA 8 HA ALA 8 -14.770 -1.717 5.494 48 HB1 ALA 8 HB1 ALA 8 -14.689 -0.466 2.947 49 HB2 ALA 8 HB2 ALA 8 -16.386 -0.919 3.230 50 HB3 ALA 8 HB3 ALA 8 -15.527 0.099 4.410 51 H LYS 9 HN LYS 9 -17.273 -2.030 5.635 52 HA LYS 9 HA LYS 9 -17.756 -4.814 4.920 53 HB2 LYS 9 HB2 LYS 9 -18.471 -3.053 7.147 54 HB3 LYS 9 HB3 LYS 9 -19.848 -3.944 6.530 55 HG2 LYS 9 HG2 LYS 9 -17.429 -5.626 6.729 56 HG3 LYS 9 HG3 LYS 9 -17.886 -4.937 8.274 57 HD2 LYS 9 HD2 LYS 9 -20.107 -5.895 8.157 58 HD3 LYS 9 HD3 LYS 9 -19.914 -6.316 6.466 59 HE2 LYS 9 HE2 LYS 9 -17.748 -7.619 7.650 60 HE3 LYS 9 HE3 LYS 9 -18.985 -7.760 8.883 61 HZ1 LYS 9 HZ1 LYS 9 -19.425 -8.506 6.042 62 HZ2 LYS 9 HZ2 LYS 9 -19.048 -9.576 7.209 63 H ASN 10 HN ASN 10 -18.354 -1.664 3.763 64 HA ASN 10 HA ASN 10 -20.492 -2.749 2.134 65 HB2 ASN 10 HB2 ASN 10 -21.720 -1.402 3.727 66 HB3 ASN 10 HB3 ASN 10 -20.520 -0.127 3.694 67 HD21 ASN 10 HD2 ASN 10 -22.320 1.706 1.393 68 H GLY 11 HN GLY 11 -18.169 -2.837 0.959 69 HA2 GLY 11 HA1 GLY 11 -17.380 -2.053 -1.087 70 HA3 GLY 11 HA2 GLY 11 -18.022 -0.459 -0.745 71 H ASP 12 HN ASP 12 -15.189 -1.797 -1.339 72 HA ASP 12 HA ASP 12 -13.693 -1.132 0.953 73 HB2 ASP 12 HB2 ASP 12 -12.425 -1.189 -1.776 74 HB3 ASP 12 HB3 ASP 12 -11.844 -1.881 -0.274 75 HD2 ASP 12 HD2 ASP 12 -12.560 -3.357 -3.083 76 H VAL 13 HN VAL 13 -11.693 0.503 0.564 77 HA VAL 13 HA VAL 13 -12.684 2.847 -0.899 78 HB VAL 13 HB VAL 13 -11.524 2.699 1.887 79 HG13 VAL 13 HG1 VAL 13 -11.175 4.764 -0.056 80 HG21 VAL 13 HG2 VAL 13 -13.667 4.057 2.346 81 H LYS 14 HN LYS 14 -11.229 3.677 -2.323 82 HA LYS 14 HA LYS 14 -8.538 2.539 -2.210 83 HB2 LYS 14 HB2 LYS 14 -10.393 3.335 -4.361 84 HB3 LYS 14 HB3 LYS 14 -8.738 3.848 -4.617 85 HG2 LYS 14 HG2 LYS 14 -9.709 1.006 -4.083 86 HG3 LYS 14 HG3 LYS 14 -9.015 1.616 -5.571 87 HD2 LYS 14 HD2 LYS 14 -7.033 2.258 -3.738 88 HD3 LYS 14 HD3 LYS 14 -7.661 0.768 -3.063 89 HE2 LYS 14 HE2 LYS 14 -6.256 -0.258 -4.550 90 HE3 LYS 14 HE3 LYS 14 -7.509 0.079 -5.727 91 HZ1 LYS 14 HZ1 LYS 14 -5.039 1.623 -5.242 92 HZ2 LYS 14 HZ2 LYS 14 -5.581 1.010 -6.650 93 H PHE 15 HN PHE 15 -7.190 3.753 -0.976 94 HA PHE 15 HA PHE 15 -7.278 6.647 -1.458 95 HB2 PHE 15 HB2 PHE 15 -8.099 6.101 0.808 96 HB3 PHE 15 HB3 PHE 15 -6.807 4.943 1.052 97 HD1 PHE 15 HD1 PHE 15 -7.506 8.562 0.684 98 HD2 PHE 15 HD2 PHE 15 -4.744 5.609 1.972 99 HE1 PHE 15 HE1 PHE 15 -6.116 10.341 1.781 100 HE2 PHE 15 HE2 PHE 15 -3.353 7.389 3.069 101 HZ PHE 15 HZ PHE 15 -4.056 9.734 2.960 102 HA PRO 16 HA PRO 16 -3.073 5.767 -2.635 103 HB2 PRO 16 HB2 PRO 16 -2.665 8.137 -3.943 104 HB3 PRO 16 HB3 PRO 16 -3.701 6.836 -4.613 105 HG2 PRO 16 HG2 PRO 16 -4.811 9.513 -3.342 106 HG3 PRO 16 HG3 PRO 16 -4.959 8.269 -4.626 107 HD2 PRO 16 HD2 PRO 16 -6.132 8.344 -1.902 108 HD3 PRO 16 HD3 PRO 16 -6.491 7.218 -3.246 109 H HIS 17 HN HIS 17 -2.306 5.775 -0.458 110 HA HIS 17 HA HIS 17 -2.017 8.083 1.175 111 HB2 HIS 17 HB2 HIS 17 -1.909 5.694 1.896 112 HB3 HIS 17 HB3 HIS 17 -0.291 5.547 1.084 113 HD1 HIS 17 HD1 HIS 17 1.683 6.568 2.250 114 HD2 HIS 17 HD2 HIS 17 -1.883 7.064 4.373 115 HE1 HIS 17 HE1 HIS 17 2.356 7.339 4.615 116 H LYS 18 HN LYS 18 0.453 6.475 -1.004 117 HA LYS 18 HA LYS 18 2.500 8.222 -0.614 118 HB2 LYS 18 HB2 LYS 18 2.982 6.333 -1.880 119 HB3 LYS 18 HB3 LYS 18 1.611 6.556 -2.949 120 HG2 LYS 18 HG2 LYS 18 2.801 7.885 -4.368 121 HG3 LYS 18 HG3 LYS 18 3.425 8.866 -3.057 122 HD2 LYS 18 HD2 LYS 18 5.042 6.916 -2.544 123 HD3 LYS 18 HD3 LYS 18 4.536 6.212 -4.066 124 HE2 LYS 18 HE2 LYS 18 6.562 7.504 -4.473 125 HE3 LYS 18 HE3 LYS 18 5.227 8.335 -5.246 126 HZ1 LYS 18 HZ1 LYS 18 5.099 9.798 -3.275 127 HZ2 LYS 18 HZ2 LYS 18 6.373 9.044 -2.597 128 H ALA 19 HN ALA 19 -0.515 8.685 -2.454 129 HA ALA 19 HA ALA 19 0.377 11.058 -3.747 130 HB1 ALA 19 HB1 ALA 19 -1.428 9.526 -4.576 131 HB2 ALA 19 HB2 ALA 19 -2.448 10.055 -3.217 132 HB3 ALA 19 HB3 ALA 19 -1.943 11.227 -4.458 133 H HIS 20 HN HIS 20 -1.190 10.191 -0.739 134 HA HIS 20 HA HIS 20 -1.786 12.991 -0.022 135 HB2 HIS 20 HB2 HIS 20 -2.277 10.238 1.170 136 HB3 HIS 20 HB3 HIS 20 -2.425 11.720 2.208 137 HD1 HIS 20 HD1 HIS 20 -3.856 10.265 -0.976 138 HD2 HIS 20 HD2 HIS 20 -4.877 12.928 2.080 139 HE1 HIS 20 HE1 HIS 20 -6.320 10.910 -1.378 140 H GLN 21 HN GLN 21 1.063 12.027 -0.547 141 HA GLN 21 HA GLN 21 2.129 12.484 2.123 142 HB2 GLN 21 HB2 GLN 21 2.838 10.651 0.063 143 HB3 GLN 21 HB3 GLN 21 4.146 11.816 0.132 144 HG2 GLN 21 HG2 GLN 21 3.022 10.469 2.628 145 HG3 GLN 21 HG3 GLN 21 4.345 9.784 1.705 146 HE21 GLN 21 HE2 GLN 21 5.952 11.646 4.389 147 H LYS 22 HN LYS 22 1.141 14.248 -0.458 148 HA LYS 22 HA LYS 22 2.936 16.393 0.188 149 HB2 LYS 22 HB2 LYS 22 3.552 14.735 -2.043 150 HB3 LYS 22 HB3 LYS 22 2.955 16.253 -2.680 151 HG2 LYS 22 HG2 LYS 22 4.705 17.491 -1.783 152 HG3 LYS 22 HG3 LYS 22 4.870 16.454 -0.380 153 HD2 LYS 22 HD2 LYS 22 5.594 15.415 -3.141 154 HD3 LYS 22 HD3 LYS 22 6.733 16.398 -2.241 155 HE2 LYS 22 HE2 LYS 22 5.828 14.513 -0.347 156 HE3 LYS 22 HE3 LYS 22 5.966 13.585 -1.827 157 HZ1 LYS 22 HZ1 LYS 22 8.219 13.859 -1.857 158 HZ2 LYS 22 HZ2 LYS 22 8.193 15.375 -1.261 159 H ALA 23 HN ALA 23 0.263 16.092 0.812 160 HA ALA 23 HA ALA 23 -0.874 18.196 -0.839 161 HB1 ALA 23 HB1 ALA 23 -1.534 15.625 -1.446 162 HB2 ALA 23 HB2 ALA 23 -2.746 15.975 -0.191 163 HB3 ALA 23 HB3 ALA 23 -2.644 17.001 -1.642 164 H VAL 24 HN VAL 24 0.289 17.552 1.986 165 HA VAL 24 HA VAL 24 -1.755 19.038 3.374 166 HB VAL 24 HB VAL 24 -0.828 16.430 4.563 167 HG13 VAL 24 HG1 VAL 24 -1.642 17.964 6.203 168 HG21 VAL 24 HG2 VAL 24 -2.015 15.898 2.478 169 HA PRO 25 HA PRO 25 2.284 20.962 3.973 170 HB2 PRO 25 HB2 PRO 25 0.348 22.339 5.892 171 HB3 PRO 25 HB3 PRO 25 1.673 23.022 4.893 172 HG2 PRO 25 HG2 PRO 25 -0.847 23.056 4.096 173 HG3 PRO 25 HG3 PRO 25 0.331 22.876 2.755 174 HD2 PRO 25 HD2 PRO 25 -1.600 20.917 3.878 175 HD3 PRO 25 HD3 PRO 25 -0.630 20.804 2.378 176 H ASP 26 HN ASP 26 -0.012 19.596 6.413 177 HA ASP 26 HA ASP 26 2.362 18.993 7.992 178 HB2 ASP 26 HB2 ASP 26 0.490 20.740 8.842 179 HB3 ASP 26 HB3 ASP 26 -0.341 19.268 9.302 180 HD2 ASP 26 HD2 ASP 26 0.601 21.218 10.992 181 H CYS 27 HN CYS 27 2.371 16.874 6.863 182 HA CYS 27 HA CYS 27 0.224 15.232 6.524 183 HB2 CYS 27 HB2 CYS 27 1.787 13.969 5.618 184 HB3 CYS 27 HB3 CYS 27 3.010 15.056 6.245 185 H LYS 28 HN LYS 28 1.809 16.282 9.453 186 HA LYS 28 HA LYS 28 1.034 14.028 11.034 187 HB2 LYS 28 HB2 LYS 28 2.303 14.966 12.653 188 HB3 LYS 28 HB3 LYS 28 2.963 15.871 11.306 189 HG2 LYS 28 HG2 LYS 28 0.990 17.566 11.812 190 HG3 LYS 28 HG3 LYS 28 0.937 16.773 13.374 191 HD2 LYS 28 HD2 LYS 28 3.490 17.944 12.176 192 HD3 LYS 28 HD3 LYS 28 2.438 18.838 13.255 193 HE2 LYS 28 HE2 LYS 28 3.210 16.130 14.242 194 HE3 LYS 28 HE3 LYS 28 4.545 17.253 14.083 195 HZ1 LYS 28 HZ1 LYS 28 3.823 17.967 16.096 196 HZ2 LYS 28 HZ2 LYS 28 2.678 18.788 15.280 197 H LYS 29 HN LYS 29 -0.821 16.155 9.406 198 HA LYS 29 HA LYS 29 -2.507 17.227 11.367 199 HB2 LYS 29 HB2 LYS 29 -2.443 18.119 9.125 200 HB3 LYS 29 HB3 LYS 29 -2.944 16.586 8.438 201 HG2 LYS 29 HG2 LYS 29 -5.066 17.410 8.575 202 HG3 LYS 29 HG3 LYS 29 -4.963 17.038 10.284 203 HD2 LYS 29 HD2 LYS 29 -5.420 19.266 10.564 204 HD3 LYS 29 HD3 LYS 29 -3.708 19.477 10.260 205 HE2 LYS 29 HE2 LYS 29 -4.038 20.228 8.067 206 HE3 LYS 29 HE3 LYS 29 -5.524 19.322 7.861 207 HZ1 LYS 29 HZ1 LYS 29 -6.744 20.975 8.858 208 HZ2 LYS 29 HZ2 LYS 29 -5.555 21.452 9.865 209 H CYS 30 HN CYS 30 -2.473 14.094 9.598 210 HA CYS 30 HA CYS 30 -4.897 13.296 10.944 211 HB2 CYS 30 HB2 CYS 30 -3.319 11.331 9.353 212 HB3 CYS 30 HB3 CYS 30 -5.050 11.595 9.421 213 H HIS 31 HN HIS 31 -1.556 12.084 10.551 214 HA HIS 31 HA HIS 31 -1.649 10.238 12.749 215 HB2 HIS 31 HB2 HIS 31 0.656 11.545 11.205 216 HB3 HIS 31 HB3 HIS 31 0.865 10.226 12.436 217 HD1 HIS 31 HD1 HIS 31 -0.884 8.110 11.751 218 HD2 HIS 31 HD2 HIS 31 0.737 10.484 8.716 219 HE1 HIS 31 HE1 HIS 31 -1.000 6.700 9.597 220 H GLU 32 HN GLU 32 0.320 13.324 12.515 221 HA GLU 32 HA GLU 32 0.660 14.900 13.989 222 HB2 GLU 32 HB2 GLU 32 -1.856 14.210 14.703 223 HB3 GLU 32 HB3 GLU 32 -1.033 13.715 16.169 224 HG2 GLU 32 HG2 GLU 32 -0.078 15.961 16.462 225 HG3 GLU 32 HG3 GLU 32 -0.700 16.476 14.907 226 HE2 GLU 32 HE2 GLU 32 -2.785 16.349 18.217 227 H LYS 33 HN LYS 33 2.405 12.726 13.729 228 HA LYS 33 HA LYS 33 4.310 12.153 14.768 229 HB2 LYS 33 HB2 LYS 33 3.418 14.031 16.553 230 HB3 LYS 33 HB3 LYS 33 3.457 12.598 17.561 231 HG2 LYS 33 HG2 LYS 33 5.839 12.200 16.498 232 HG3 LYS 33 HG3 LYS 33 5.742 13.886 16.030 233 HD2 LYS 33 HD2 LYS 33 5.132 13.115 18.895 234 HD3 LYS 33 HD3 LYS 33 6.802 13.197 18.372 235 HE2 LYS 33 HE2 LYS 33 5.145 15.531 17.543 236 HE3 LYS 33 HE3 LYS 33 5.331 15.359 19.277 237 HZ1 LYS 33 HZ1 LYS 33 7.186 16.456 17.618 238 HZ2 LYS 33 HZ2 LYS 33 7.497 15.937 19.130 239 H GLY 34 HN GLY 34 3.656 10.072 13.953 240 HA2 GLY 34 HA1 GLY 34 3.839 7.936 15.479 241 HA3 GLY 34 HA2 GLY 34 2.167 8.354 15.792 242 HA PRO 35 HA PRO 35 2.765 7.729 10.878 243 HB2 PRO 35 HB2 PRO 35 4.956 5.938 10.574 244 HB3 PRO 35 HB3 PRO 35 4.951 7.698 10.226 245 HG2 PRO 35 HG2 PRO 35 5.907 6.289 12.810 246 HG3 PRO 35 HG3 PRO 35 6.707 7.642 11.945 247 HD2 PRO 35 HD2 PRO 35 5.159 8.165 14.077 248 HD3 PRO 35 HD3 PRO 35 4.960 9.166 12.607 249 H GLY 36 HN GLY 36 4.015 5.094 13.100 250 HA2 GLY 36 HA1 GLY 36 2.950 2.901 11.950 251 HA3 GLY 36 HA2 GLY 36 3.023 3.146 13.683 252 H LYS 37 HN LYS 37 0.977 1.581 12.739 253 HA LYS 37 HA LYS 37 -1.317 2.505 11.816 254 HB2 LYS 37 HB2 LYS 37 -2.457 0.971 13.489 255 HB3 LYS 37 HB3 LYS 37 -1.211 0.255 12.486 256 HG2 LYS 37 HG2 LYS 37 -0.368 1.421 15.136 257 HG3 LYS 37 HG3 LYS 37 -1.262 -0.086 15.161 258 HD2 LYS 37 HD2 LYS 37 0.688 -0.378 13.097 259 HD3 LYS 37 HD3 LYS 37 1.525 0.376 14.439 260 HE2 LYS 37 HE2 LYS 37 1.713 -1.735 15.288 261 HE3 LYS 37 HE3 LYS 37 0.031 -1.561 15.749 262 HZ1 LYS 37 HZ1 LYS 37 0.960 -3.465 14.069 263 HZ2 LYS 37 HZ2 LYS 37 -0.599 -3.000 14.136 264 H ILE 38 HN ILE 38 -3.088 3.774 12.424 265 HA ILE 38 HA ILE 38 -2.462 5.793 14.356 266 HB ILE 38 HB ILE 38 -4.590 5.299 12.327 267 HG12 ILE 38 HG1 ILE 38 -2.590 7.479 12.932 268 HG23 ILE 38 HG2 ILE 38 -4.842 7.317 14.575 269 HD11 ILE 38 HD1 ILE 38 -4.511 8.749 12.302 270 H GLU 39 HN GLU 39 -3.374 6.124 16.383 271 HA GLU 39 HA GLU 39 -3.932 4.074 17.947 272 HB2 GLU 39 HB2 GLU 39 -4.136 6.880 18.135 273 HB3 GLU 39 HB3 GLU 39 -5.707 6.302 18.649 274 HG2 GLU 39 HG2 GLU 39 -3.394 4.774 19.754 275 HG3 GLU 39 HG3 GLU 39 -3.491 6.442 20.283 276 HE2 GLU 39 HE2 GLU 39 -4.287 6.244 22.185 277 H GLY 40 HN GLY 40 -5.196 2.372 17.135 278 HA2 GLY 40 HA1 GLY 40 -7.035 1.375 16.200 279 HA3 GLY 40 HA2 GLY 40 -7.740 2.007 17.675 280 H PHE 41 HN PHE 41 -7.441 2.397 14.167 281 HA PHE 41 HA PHE 41 -8.479 4.843 13.703 282 HB2 PHE 41 HB2 PHE 41 -7.764 2.951 12.093 283 HB3 PHE 41 HB3 PHE 41 -9.313 2.187 12.389 284 HD1 PHE 41 HD1 PHE 41 -11.416 3.394 11.689 285 HD2 PHE 41 HD2 PHE 41 -7.552 4.692 10.510 286 HE1 PHE 41 HE1 PHE 41 -12.435 4.738 9.830 287 HE2 PHE 41 HE2 PHE 41 -8.571 6.035 8.650 288 HZ PHE 41 HZ PHE 41 -11.000 6.041 8.333 289 H GLY 42 HN GLY 42 -10.739 5.467 12.940 290 HA2 GLY 42 HA1 GLY 42 -12.845 4.047 14.428 291 HA3 GLY 42 HA2 GLY 42 -12.599 5.762 14.686 292 H LYS 43 HN LYS 43 -14.993 4.431 13.583 293 HA LYS 43 HA LYS 43 -15.003 4.794 10.772 294 HB2 LYS 43 HB2 LYS 43 -16.506 3.202 11.655 295 HB3 LYS 43 HB3 LYS 43 -17.126 4.311 12.861 296 HG2 LYS 43 HG2 LYS 43 -18.818 4.307 11.201 297 HG3 LYS 43 HG3 LYS 43 -17.924 5.776 10.861 298 HD2 LYS 43 HD2 LYS 43 -17.127 3.189 9.495 299 HD3 LYS 43 HD3 LYS 43 -18.500 4.097 8.894 300 HE2 LYS 43 HE2 LYS 43 -16.025 5.699 9.434 301 HE3 LYS 43 HE3 LYS 43 -15.915 4.558 8.108 302 HZ1 LYS 43 HZ1 LYS 43 -16.886 6.938 7.705 303 HZ2 LYS 43 HZ2 LYS 43 -17.555 5.671 6.932 304 H GLU 44 HN GLU 44 -17.023 6.534 13.232 305 HA GLU 44 HA GLU 44 -17.786 8.592 11.784 306 HB2 GLU 44 HB2 GLU 44 -18.153 9.787 13.798 307 HB3 GLU 44 HB3 GLU 44 -18.165 8.106 14.291 308 HG2 GLU 44 HG2 GLU 44 -15.685 9.882 14.426 309 HG3 GLU 44 HG3 GLU 44 -16.779 9.647 15.775 310 HE2 GLU 44 HE2 GLU 44 -13.949 7.110 15.448 311 H MET 45 HN MET 45 -14.524 8.223 13.270 312 HA MET 45 HA MET 45 -13.561 10.724 12.800 313 HB2 MET 45 HB2 MET 45 -12.567 8.116 13.498 314 HB3 MET 45 HB3 MET 45 -11.540 8.693 12.202 315 HG2 MET 45 HG2 MET 45 -10.413 9.822 13.840 316 HG3 MET 45 HG3 MET 45 -11.739 10.966 13.774 317 HE1 MET 45 HE1 MET 45 -11.195 11.313 16.996 318 HE2 MET 45 HE2 MET 45 -12.091 11.872 15.564 319 HE3 MET 45 HE3 MET 45 -12.971 11.197 16.956 320 H ALA 46 HN ALA 46 -13.876 7.943 10.546 321 HA ALA 46 HA ALA 46 -12.313 8.906 8.477 322 HB1 ALA 46 HB1 ALA 46 -13.569 6.631 8.882 323 HB2 ALA 46 HB2 ALA 46 -14.894 7.419 7.994 324 HB3 ALA 46 HB3 ALA 46 -13.306 7.207 7.218 325 H HIS 47 HN HIS 47 -15.874 9.008 8.660 326 HA HIS 47 HA HIS 47 -16.209 10.942 6.591 327 HB2 HIS 47 HB2 HIS 47 -18.024 10.132 8.930 328 HB3 HIS 47 HB3 HIS 47 -18.537 11.116 7.493 329 HD1 HIS 47 HD1 HIS 47 -19.891 8.498 8.212 330 HD2 HIS 47 HD2 HIS 47 -16.724 8.785 5.500 331 HE1 HIS 47 HE1 HIS 47 -20.086 6.451 6.660 332 H GLY 48 HN GLY 48 -14.983 11.286 9.810 333 HA2 GLY 48 HA1 GLY 48 -15.879 14.023 10.159 334 HA3 GLY 48 HA2 GLY 48 -14.842 13.089 11.218 335 H LYS 49 HN LYS 49 -13.232 14.718 11.423 336 HA LYS 49 HA LYS 49 -12.021 15.734 9.006 337 HB2 LYS 49 HB2 LYS 49 -12.205 16.524 11.793 338 HB3 LYS 49 HB3 LYS 49 -10.541 16.562 11.248 339 HG2 LYS 49 HG2 LYS 49 -11.074 18.607 10.381 340 HG3 LYS 49 HG3 LYS 49 -11.815 17.697 9.079 341 HD2 LYS 49 HD2 LYS 49 -13.756 18.747 9.630 342 HD3 LYS 49 HD3 LYS 49 -13.818 17.681 11.019 343 HE2 LYS 49 HE2 LYS 49 -12.553 20.461 10.944 344 HE3 LYS 49 HE3 LYS 49 -14.056 20.034 11.736 345 HZ1 LYS 49 HZ1 LYS 49 -12.932 18.899 13.399 346 HZ2 LYS 49 HZ2 LYS 49 -11.618 18.574 12.493 347 H GLY 50 HN GLY 50 -11.807 13.022 8.896 348 HA2 GLY 50 HA1 GLY 50 -8.922 12.658 9.252 349 HA3 GLY 50 HA2 GLY 50 -9.994 11.509 10.027 350 H CYS 51 HN CYS 51 -11.204 12.972 7.081 351 HA CYS 51 HA CYS 51 -10.020 11.267 5.224 352 HB2 CYS 51 HB2 CYS 51 -11.612 9.751 6.761 353 HB3 CYS 51 HB3 CYS 51 -12.814 10.327 5.623 354 H LYS 52 HN LYS 52 -13.504 12.136 5.819 355 HA LYS 52 HA LYS 52 -13.522 13.579 3.315 356 HB2 LYS 52 HB2 LYS 52 -15.343 12.008 3.967 357 HB3 LYS 52 HB3 LYS 52 -15.755 13.065 5.302 358 HG2 LYS 52 HG2 LYS 52 -16.412 14.854 3.836 359 HG3 LYS 52 HG3 LYS 52 -15.622 14.124 2.454 360 HD2 LYS 52 HD2 LYS 52 -17.669 13.275 1.926 361 HD3 LYS 52 HD3 LYS 52 -17.387 12.116 3.210 362 HE2 LYS 52 HE2 LYS 52 -18.657 13.376 4.798 363 HE3 LYS 52 HE3 LYS 52 -18.574 14.841 3.840 364 HZ1 LYS 52 HZ1 LYS 52 -19.933 13.607 2.128 365 HZ2 LYS 52 HZ2 LYS 52 -20.155 12.412 3.213 366 H GLY 53 HN GLY 53 -14.228 14.256 6.814 367 HA2 GLY 53 HA1 GLY 53 -14.841 16.823 6.900 368 HA3 GLY 53 HA2 GLY 53 -13.661 16.129 7.995 369 H CYS 54 HN CYS 54 -11.491 15.600 6.236 370 HA CYS 54 HA CYS 54 -10.220 18.031 6.207 371 HB2 CYS 54 HB2 CYS 54 -9.543 15.373 5.639 372 HB3 CYS 54 HB3 CYS 54 -9.184 16.235 4.155 373 H HIS 55 HN HIS 55 -10.999 16.151 3.280 374 HA HIS 55 HA HIS 55 -10.759 18.007 1.303 375 HB2 HIS 55 HB2 HIS 55 -13.131 16.077 1.490 376 HB3 HIS 55 HB3 HIS 55 -12.322 16.716 -0.004 377 HD1 HIS 55 HD1 HIS 55 -12.704 13.709 1.422 378 HD2 HIS 55 HD2 HIS 55 -9.226 15.860 0.560 379 HE1 HIS 55 HE1 HIS 55 -10.808 11.971 1.251 380 H GLU 56 HN GLU 56 -13.692 17.658 3.443 381 HA GLU 56 HA GLU 56 -15.245 19.533 2.253 382 HB2 GLU 56 HB2 GLU 56 -16.246 18.282 3.981 383 HB3 GLU 56 HB3 GLU 56 -14.943 18.596 5.110 384 HG2 GLU 56 HG2 GLU 56 -15.634 20.978 5.283 385 HG3 GLU 56 HG3 GLU 56 -16.899 20.715 4.098 386 HE2 GLU 56 HE2 GLU 56 -17.409 21.565 6.608 387 H GLU 57 HN GLU 57 -12.618 19.998 4.688 388 HA GLU 57 HA GLU 57 -13.038 22.840 4.581 389 HB2 GLU 57 HB2 GLU 57 -12.389 21.360 6.666 390 HB3 GLU 57 HB3 GLU 57 -10.758 21.483 6.039 391 HG2 GLU 57 HG2 GLU 57 -10.707 23.410 7.292 392 HG3 GLU 57 HG3 GLU 57 -11.470 24.107 5.876 393 HE2 GLU 57 HE2 GLU 57 -14.393 24.673 7.061 394 H MET 58 HN MET 58 -10.496 20.400 3.742 395 HA MET 58 HA MET 58 -8.598 22.152 2.852 396 HB2 MET 58 HB2 MET 58 -8.877 19.417 3.035 397 HB3 MET 58 HB3 MET 58 -9.011 19.604 1.297 398 HG2 MET 58 HG2 MET 58 -6.719 19.544 1.329 399 HG3 MET 58 HG3 MET 58 -6.842 21.228 1.799 400 HE1 MET 58 HE1 MET 58 -4.027 20.360 3.746 401 HE2 MET 58 HE2 MET 58 -4.305 18.652 3.334 402 HE3 MET 58 HE3 MET 58 -4.554 19.916 2.105 403 H LYS 59 HN LYS 59 -11.714 21.425 1.490 404 HA LYS 59 HA LYS 59 -12.746 22.064 -0.352 405 HB2 LYS 59 HB2 LYS 59 -11.797 24.285 0.426 406 HB3 LYS 59 HB3 LYS 59 -10.525 24.080 -0.762 407 HG2 LYS 59 HG2 LYS 59 -12.005 25.187 -2.131 408 HG3 LYS 59 HG3 LYS 59 -12.666 23.580 -2.363 409 HD2 LYS 59 HD2 LYS 59 -14.085 24.179 -0.179 410 HD3 LYS 59 HD3 LYS 59 -13.715 25.830 -0.634 411 HE2 LYS 59 HE2 LYS 59 -14.901 25.683 -2.676 412 HE3 LYS 59 HE3 LYS 59 -14.771 23.936 -2.747 413 HZ1 LYS 59 HZ1 LYS 59 -16.869 24.026 -1.928 414 HZ2 LYS 59 HZ2 LYS 59 -16.179 24.283 -0.476 415 H LYS 60 HN LYS 60 -10.241 20.145 -0.301 416 HA LYS 60 HA LYS 60 -10.221 19.852 -3.208 417 HB2 LYS 60 HB2 LYS 60 -7.744 19.233 -2.976 418 HB3 LYS 60 HB3 LYS 60 -8.170 20.932 -2.956 419 HG2 LYS 60 HG2 LYS 60 -8.334 20.494 -0.300 420 HG3 LYS 60 HG3 LYS 60 -7.241 19.180 -0.686 421 HD2 LYS 60 HD2 LYS 60 -6.815 22.156 -1.149 422 HD3 LYS 60 HD3 LYS 60 -5.846 21.071 -0.173 423 HE2 LYS 60 HE2 LYS 60 -4.511 21.155 -2.075 424 HE3 LYS 60 HE3 LYS 60 -5.515 19.782 -2.497 425 HZ1 LYS 60 HZ1 LYS 60 -5.518 22.443 -3.642 426 HZ2 LYS 60 HZ2 LYS 60 -5.929 21.029 -4.335 427 H GLY 61 HN GLY 61 -10.583 17.773 -3.856 428 HA2 GLY 61 HA1 GLY 61 -10.046 15.424 -3.449 429 HA3 GLY 61 HA2 GLY 61 -10.414 15.693 -1.757 430 HA PRO 62 HA PRO 62 -14.338 14.531 -4.020 431 HB2 PRO 62 HB2 PRO 62 -14.309 11.798 -3.895 432 HB3 PRO 62 HB3 PRO 62 -13.448 12.708 -5.178 433 HG2 PRO 62 HG2 PRO 62 -12.032 11.257 -2.786 434 HG3 PRO 62 HG3 PRO 62 -11.856 11.761 -4.498 435 HD2 PRO 62 HD2 PRO 62 -11.136 13.196 -1.978 436 HD3 PRO 62 HD3 PRO 62 -10.613 13.531 -3.656 437 H THR 63 HN THR 63 -16.293 14.245 -2.838 438 HA THR 63 HA THR 63 -15.909 13.342 -0.058 439 HB THR 63 HB THR 63 -17.581 15.065 0.558 440 HG1 THR 63 HG1 THR 63 -17.357 15.793 -2.269 441 HG21 THR 63 HG2 THR 63 -15.097 15.806 -0.924 442 H LYS 64 HN LYS 64 -17.519 12.929 -3.099 443 HA LYS 64 HA LYS 64 -19.931 11.853 -2.184 444 HB2 LYS 64 HB2 LYS 64 -18.351 11.495 -4.740 445 HB3 LYS 64 HB3 LYS 64 -19.915 10.749 -4.482 446 HG2 LYS 64 HG2 LYS 64 -20.987 12.695 -4.936 447 HG3 LYS 64 HG3 LYS 64 -20.074 13.541 -3.702 448 HD2 LYS 64 HD2 LYS 64 -18.227 13.147 -5.816 449 HD3 LYS 64 HD3 LYS 64 -19.726 13.580 -6.613 450 HE2 LYS 64 HE2 LYS 64 -19.865 15.680 -5.504 451 HE3 LYS 64 HE3 LYS 64 -18.786 15.184 -4.215 452 HZ1 LYS 64 HZ1 LYS 64 -18.069 16.499 -6.547 453 HZ2 LYS 64 HZ2 LYS 64 -17.052 15.916 -5.417 454 H CYS 65 HN CYS 65 -20.610 9.579 -2.114 455 HA CYS 65 HA CYS 65 -18.772 8.055 -0.621 456 HB2 CYS 65 HB2 CYS 65 -21.125 6.691 -1.783 457 HB3 CYS 65 HB3 CYS 65 -20.515 6.699 -0.140 458 H GLY 66 HN GLY 66 -20.431 7.425 -3.809 459 HA2 GLY 66 HA1 GLY 66 -19.131 5.219 -4.658 460 HA3 GLY 66 HA2 GLY 66 -19.625 6.523 -5.720 461 H GLU 67 HN GLU 67 -17.743 8.445 -4.192 462 HA GLU 67 HA GLU 67 -15.533 7.973 -5.894 463 HB2 GLU 67 HB2 GLU 67 -16.070 10.060 -3.739 464 HB3 GLU 67 HB3 GLU 67 -14.624 10.058 -4.728 465 HG2 GLU 67 HG2 GLU 67 -17.434 10.066 -5.917 466 HG3 GLU 67 HG3 GLU 67 -16.553 11.538 -5.560 467 HE2 GLU 67 HE2 GLU 67 -15.418 11.959 -8.124 468 H CYS 68 HN CYS 68 -16.208 7.725 -2.365 469 HA CYS 68 HA CYS 68 -13.486 6.884 -1.885 470 HB2 CYS 68 HB2 CYS 68 -15.791 7.727 -0.193 471 HB3 CYS 68 HB3 CYS 68 -14.678 6.574 0.515 472 H HIS 69 HN HIS 69 -16.837 5.716 -1.560 473 HA HIS 69 HA HIS 69 -15.911 2.918 -1.212 474 HB2 HIS 69 HB2 HIS 69 -18.696 4.202 -1.103 475 HB3 HIS 69 HB3 HIS 69 -18.308 2.466 -0.737 476 HD1 HIS 69 HD1 HIS 69 -16.489 2.256 1.295 477 HD2 HIS 69 HD2 HIS 69 -18.788 5.742 1.133 478 HE1 HIS 69 HE1 HIS 69 -16.411 3.279 3.659 479 H LYS 70 HN LYS 70 -16.201 1.277 -2.721 480 HA LYS 70 HA LYS 70 -17.572 1.989 -5.199 481 HB2 LYS 70 HB2 LYS 70 -15.215 2.514 -5.577 482 HB3 LYS 70 HB3 LYS 70 -14.740 0.916 -5.038 483 HG2 LYS 70 HG2 LYS 70 -14.880 0.345 -7.246 484 HG3 LYS 70 HG3 LYS 70 -16.608 0.263 -6.959 485 HD2 LYS 70 HD2 LYS 70 -16.848 1.867 -8.549 486 HD3 LYS 70 HD3 LYS 70 -16.164 3.000 -7.401 487 HE2 LYS 70 HE2 LYS 70 -14.736 1.479 -9.611 488 HE3 LYS 70 HE3 LYS 70 -14.809 3.211 -9.363 489 HZ1 LYS 70 HZ1 LYS 70 -12.690 2.478 -8.593 490 HZ2 LYS 70 HZ2 LYS 70 -13.536 2.798 -7.239 491 H LYS 71 HN LYS 71 -18.820 0.344 -6.001 492 HA LYS 71 HA LYS 71 -18.527 -2.231 -4.617 493 HB2 LYS 71 HB2 LYS 71 -20.672 -0.592 -4.449 494 HB3 LYS 71 HB3 LYS 71 -21.123 -1.509 -5.871 495 HG2 LYS 71 HG2 LYS 71 -20.130 -3.466 -4.104 496 HG3 LYS 71 HG3 LYS 71 -21.009 -2.369 -3.057 497 HD2 LYS 71 HD2 LYS 71 -22.340 -3.170 -5.636 498 HD3 LYS 71 HD3 LYS 71 -22.227 -4.389 -4.382 499 HE2 LYS 71 HE2 LYS 71 -23.060 -2.049 -3.019 500 HE3 LYS 71 HE3 LYS 71 -23.966 -2.028 -4.519 501 HZ1 LYS 71 HZ1 LYS 71 -24.029 -4.050 -2.391 502 HZ2 LYS 71 HZ2 LYS 71 -25.274 -3.384 -3.202
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