NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
556426 | 2lzz | 18787 | 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 -11.063 10.941 -0.427 2 HA ALA 1 HA ALA 1 -11.582 11.101 -3.314 3 HB1 ALA 1 HB1 ALA 1 -10.394 13.035 -2.335 4 HB2 ALA 1 HB2 ALA 1 -9.147 11.941 -1.688 5 HB3 ALA 1 HB3 ALA 1 -9.343 12.126 -3.448 6 H ASP 2 HN ASP 2 -9.490 10.133 -4.538 7 HA ASP 2 HA ASP 2 -9.641 7.511 -4.500 8 HB2 ASP 2 HB2 ASP 2 -7.624 9.472 -5.328 9 HB3 ASP 2 HB3 ASP 2 -6.861 7.961 -4.874 10 HD2 ASP 2 HD2 ASP 2 -8.546 6.171 -5.774 11 H ASP 3 HN ASP 3 -7.442 9.541 -2.453 12 HA ASP 3 HA ASP 3 -5.833 7.827 -1.308 13 HB2 ASP 3 HB2 ASP 3 -5.806 10.070 -0.513 14 HB3 ASP 3 HB3 ASP 3 -7.505 10.040 -0.088 15 HD2 ASP 3 HD2 ASP 3 -5.108 8.066 2.449 16 H ILE 4 HN ILE 4 -6.122 5.790 -0.393 17 HA ILE 4 HA ILE 4 -8.726 5.249 0.846 18 HB ILE 4 HB ILE 4 -6.847 3.672 -0.810 19 HG12 ILE 4 HG12 ILE 4 -9.855 3.739 -0.444 20 HG13 ILE 4 HG13 ILE 4 -8.936 4.472 -1.744 21 HG21 ILE 4 HG21 ILE 4 -8.102 1.585 0.236 22 HG22 ILE 4 HG22 ILE 4 -6.563 2.186 0.898 23 HG23 ILE 4 HG23 ILE 4 -8.100 2.618 1.686 24 HD11 ILE 4 HD11 ILE 4 -9.494 1.551 -1.225 25 HD12 ILE 4 HD12 ILE 4 -9.611 2.469 -2.745 26 HD13 ILE 4 HD13 ILE 4 -8.016 2.004 -2.107 27 H VAL 5 HN VAL 5 -8.300 6.137 2.906 28 HA VAL 5 HA VAL 5 -5.917 5.546 4.305 29 HB VAL 5 HB VAL 5 -8.601 6.427 5.380 30 HG11 VAL 5 HG11 VAL 5 -7.371 6.010 7.275 31 HG12 VAL 5 HG12 VAL 5 -5.814 6.334 6.474 32 HG13 VAL 5 HG13 VAL 5 -6.871 7.686 6.947 33 HG21 VAL 5 HG21 VAL 5 -7.428 8.752 5.174 34 HG22 VAL 5 HG22 VAL 5 -6.438 7.943 3.935 35 HG23 VAL 5 HG23 VAL 5 -8.206 8.031 3.744 36 H LEU 6 HN LEU 6 -5.330 3.734 5.390 37 HA LEU 6 HA LEU 6 -7.327 1.636 5.610 38 HB2 LEU 6 HB2 LEU 6 -4.325 1.690 5.900 39 HB3 LEU 6 HB3 LEU 6 -5.298 0.277 6.261 40 HG LEU 6 HG LEU 6 -5.343 1.638 3.560 41 HD11 LEU 6 HD11 LEU 6 -3.044 0.718 4.422 42 HD12 LEU 6 HD12 LEU 6 -3.769 -0.865 4.051 43 HD13 LEU 6 HD13 LEU 6 -3.602 0.359 2.770 44 HD21 LEU 6 HD21 LEU 6 -7.237 0.106 4.275 45 HD22 LEU 6 HD22 LEU 6 -6.405 -0.312 2.757 46 HD23 LEU 6 HD23 LEU 6 -6.048 -1.219 4.247 47 H LYS 7 HN LYS 7 -6.498 0.197 7.806 48 HA LYS 7 HA LYS 7 -7.165 2.072 9.953 49 HB2 LYS 7 HB2 LYS 7 -7.944 0.054 11.159 50 HB3 LYS 7 HB3 LYS 7 -8.807 0.340 9.662 51 HG2 LYS 7 HG2 LYS 7 -7.929 -1.534 8.624 52 HG3 LYS 7 HG3 LYS 7 -6.378 -1.389 9.427 53 HD2 LYS 7 HD2 LYS 7 -7.258 -3.295 10.473 54 HD3 LYS 7 HD3 LYS 7 -7.712 -2.041 11.609 55 HE2 LYS 7 HE2 LYS 7 -9.693 -3.358 11.274 56 HE3 LYS 7 HE3 LYS 7 -9.959 -1.873 10.382 57 HZ1 LYS 7 HZ1 LYS 7 -10.276 -4.251 9.269 58 HZ2 LYS 7 HZ2 LYS 7 -9.797 -2.967 8.390 59 H ALA 8 HN ALA 8 -5.845 2.326 11.741 60 HA ALA 8 HA ALA 8 -3.915 0.583 12.605 61 HB1 ALA 8 HB1 ALA 8 -2.093 2.452 11.483 62 HB2 ALA 8 HB2 ALA 8 -2.240 0.717 11.115 63 HB3 ALA 8 HB3 ALA 8 -3.146 1.911 10.154 64 H LYS 9 HN LYS 9 -4.323 1.268 14.671 65 HA LYS 9 HA LYS 9 -4.781 3.983 15.290 66 HB2 LYS 9 HB2 LYS 9 -4.550 1.411 16.772 67 HB3 LYS 9 HB3 LYS 9 -4.267 2.874 17.692 68 HG2 LYS 9 HG2 LYS 9 -6.542 3.456 16.103 69 HG3 LYS 9 HG3 LYS 9 -6.788 1.807 16.644 70 HD2 LYS 9 HD2 LYS 9 -6.395 2.510 19.005 71 HD3 LYS 9 HD3 LYS 9 -6.108 4.156 18.477 72 HE2 LYS 9 HE2 LYS 9 -8.578 3.536 17.297 73 HE3 LYS 9 HE3 LYS 9 -8.668 2.728 18.850 74 HZ1 LYS 9 HZ1 LYS 9 -7.563 5.305 19.211 75 HZ2 LYS 9 HZ2 LYS 9 -8.952 5.455 18.373 76 H ASN 10 HN ASN 10 -1.954 2.293 14.451 77 HA ASN 10 HA ASN 10 -0.244 3.725 16.231 78 HB2 ASN 10 HB2 ASN 10 0.365 1.999 13.772 79 HB3 ASN 10 HB3 ASN 10 1.585 2.624 14.864 80 HD21 ASN 10 HD21 ASN 10 2.234 1.330 16.395 81 HD22 ASN 10 HD22 ASN 10 1.358 0.016 17.108 82 H GLY 11 HN GLY 11 -2.049 4.553 13.539 83 HA2 GLY 11 HA1 GLY 11 -1.614 6.927 12.889 84 HA3 GLY 11 HA2 GLY 11 0.005 6.398 12.476 85 H ASP 12 HN ASP 12 -3.170 6.874 11.312 86 HA ASP 12 HA ASP 12 -3.723 4.932 9.601 87 HB2 ASP 12 HB2 ASP 12 -4.138 7.836 9.698 88 HB3 ASP 12 HB3 ASP 12 -4.048 7.279 8.040 89 HD2 ASP 12 HD2 ASP 12 -6.368 5.016 10.075 90 H VAL 13 HN VAL 13 -3.197 4.511 7.285 91 HA VAL 13 HA VAL 13 -0.582 5.613 6.516 92 HB VAL 13 HB VAL 13 -1.683 2.844 5.997 93 HG11 VAL 13 HG11 VAL 13 0.643 2.370 5.221 94 HG12 VAL 13 HG12 VAL 13 -0.225 3.541 4.200 95 HG13 VAL 13 HG13 VAL 13 1.003 4.108 5.357 96 HG21 VAL 13 HG21 VAL 13 -0.595 3.838 8.370 97 HG22 VAL 13 HG22 VAL 13 -0.764 2.128 7.906 98 HG23 VAL 13 HG23 VAL 13 0.758 2.992 7.581 99 H LYS 14 HN LYS 14 -1.600 7.339 5.345 100 HA LYS 14 HA LYS 14 -3.662 6.935 3.515 101 HB2 LYS 14 HB2 LYS 14 -3.251 9.130 4.289 102 HB3 LYS 14 HB3 LYS 14 -1.556 9.070 3.854 103 HG2 LYS 14 HG2 LYS 14 -2.813 8.544 1.417 104 HG3 LYS 14 HG3 LYS 14 -3.912 9.686 2.165 105 HD2 LYS 14 HD2 LYS 14 -2.506 11.384 1.646 106 HD3 LYS 14 HD3 LYS 14 -1.266 10.669 2.657 107 HE2 LYS 14 HE2 LYS 14 -0.766 9.104 0.624 108 HE3 LYS 14 HE3 LYS 14 -1.737 10.220 -0.317 109 HZ1 LYS 14 HZ1 LYS 14 -0.210 11.942 0.052 110 HZ2 LYS 14 HZ2 LYS 14 0.470 11.245 1.357 111 H LEU 15 HN LEU 15 -3.685 5.692 1.728 112 HA LEU 15 HA LEU 15 -1.115 5.279 0.376 113 HB2 LEU 15 HB2 LEU 15 -1.839 3.201 1.042 114 HB3 LEU 15 HB3 LEU 15 -3.533 3.581 0.806 115 HG LEU 15 HG LEU 15 -2.724 3.723 -1.757 116 HD11 LEU 15 HD11 LEU 15 -1.141 1.334 -1.131 117 HD12 LEU 15 HD12 LEU 15 -0.839 2.647 -2.294 118 HD13 LEU 15 HD13 LEU 15 -0.398 2.855 -0.582 119 HD21 LEU 15 HD21 LEU 15 -3.531 1.263 -0.190 120 HD22 LEU 15 HD22 LEU 15 -4.581 2.398 -1.073 121 HD23 LEU 15 HD23 LEU 15 -3.470 1.332 -1.967 122 HA PRO 16 HA PRO 16 -2.849 8.224 -2.509 123 HB2 PRO 16 HB2 PRO 16 -0.230 7.594 -3.844 124 HB3 PRO 16 HB3 PRO 16 -0.933 9.162 -3.330 125 HG2 PRO 16 HG2 PRO 16 1.149 8.052 -1.867 126 HG3 PRO 16 HG3 PRO 16 -0.283 9.010 -1.367 127 HD2 PRO 16 HD2 PRO 16 0.154 5.971 -1.326 128 HD3 PRO 16 HD3 PRO 16 -0.428 7.030 -0.005 129 H HIS 17 HN HIS 17 -4.269 6.014 -2.812 130 HA HIS 17 HA HIS 17 -3.650 4.088 -4.567 131 HB2 HIS 17 HB2 HIS 17 -5.787 4.419 -3.274 132 HB3 HIS 17 HB3 HIS 17 -6.312 5.532 -4.522 133 HD1 HIS 17 HD1 HIS 17 -7.577 4.517 -6.433 134 HD2 HIS 17 HD2 HIS 17 -5.232 1.693 -4.403 135 HE1 HIS 17 HE1 HIS 17 -8.125 2.253 -7.474 136 H LYS 18 HN LYS 18 -5.021 7.335 -5.455 137 HA LYS 18 HA LYS 18 -5.055 6.993 -8.169 138 HB2 LYS 18 HB2 LYS 18 -6.034 8.895 -6.933 139 HB3 LYS 18 HB3 LYS 18 -4.429 9.523 -6.618 140 HG2 LYS 18 HG2 LYS 18 -5.203 10.715 -8.546 141 HG3 LYS 18 HG3 LYS 18 -4.052 9.544 -9.160 142 HD2 LYS 18 HD2 LYS 18 -6.415 8.087 -9.227 143 HD3 LYS 18 HD3 LYS 18 -6.992 9.704 -9.578 144 HE2 LYS 18 HE2 LYS 18 -5.548 9.920 -11.500 145 HE3 LYS 18 HE3 LYS 18 -4.590 8.528 -11.036 146 HZ1 LYS 18 HZ1 LYS 18 -6.361 7.077 -11.598 147 HZ2 LYS 18 HZ2 LYS 18 -7.473 8.265 -11.660 148 H ALA 19 HN ALA 19 -2.362 8.470 -6.219 149 HA ALA 19 HA ALA 19 -0.580 8.712 -8.308 150 HB1 ALA 19 HB1 ALA 19 0.620 9.605 -6.632 151 HB2 ALA 19 HB2 ALA 19 -0.633 9.059 -5.492 152 HB3 ALA 19 HB3 ALA 19 0.767 8.017 -5.842 153 H HIS 20 HN HIS 20 -1.124 5.947 -6.030 154 HA HIS 20 HA HIS 20 0.906 4.360 -7.106 155 HB2 HIS 20 HB2 HIS 20 -1.499 3.896 -5.381 156 HB3 HIS 20 HB3 HIS 20 -0.667 2.508 -6.052 157 HD1 HIS 20 HD1 HIS 20 -0.151 5.406 -3.670 158 HD2 HIS 20 HD2 HIS 20 1.816 1.910 -4.895 159 HE1 HIS 20 HE1 HIS 20 1.781 5.063 -2.039 160 H GLN 21 HN GLN 21 -2.311 5.202 -8.220 161 HA GLN 21 HA GLN 21 -2.558 2.909 -9.881 162 HB2 GLN 21 HB2 GLN 21 -4.119 5.478 -9.516 163 HB3 GLN 21 HB3 GLN 21 -4.464 4.434 -10.881 164 HG2 GLN 21 HG2 GLN 21 -5.074 2.590 -9.464 165 HG3 GLN 21 HG3 GLN 21 -4.343 3.325 -8.051 166 HE21 GLN 21 HE21 GLN 21 -7.164 2.780 -9.718 167 HE22 GLN 21 HE22 GLN 21 -8.208 3.948 -8.977 168 H LYS 22 HN LYS 22 -0.683 5.743 -9.991 169 HA LYS 22 HA LYS 22 -0.649 5.712 -12.925 170 HB2 LYS 22 HB2 LYS 22 -1.265 7.866 -11.902 171 HB3 LYS 22 HB3 LYS 22 0.234 7.878 -10.994 172 HG2 LYS 22 HG2 LYS 22 0.347 7.548 -14.001 173 HG3 LYS 22 HG3 LYS 22 0.056 9.142 -13.333 174 HD2 LYS 22 HD2 LYS 22 2.156 8.394 -11.762 175 HD3 LYS 22 HD3 LYS 22 2.521 7.437 -13.183 176 HE2 LYS 22 HE2 LYS 22 1.764 10.314 -13.639 177 HE3 LYS 22 HE3 LYS 22 3.331 10.012 -12.914 178 HZ1 LYS 22 HZ1 LYS 22 2.400 9.295 -15.590 179 HZ2 LYS 22 HZ2 LYS 22 3.869 9.818 -15.123 180 H ALA 23 HN ALA 23 1.298 5.495 -9.919 181 HA ALA 23 HA ALA 23 3.768 5.267 -11.309 182 HB1 ALA 23 HB1 ALA 23 2.876 5.657 -8.665 183 HB2 ALA 23 HB2 ALA 23 3.727 4.094 -8.644 184 HB3 ALA 23 HB3 ALA 23 4.563 5.554 -9.224 185 H VAL 24 HN VAL 24 1.104 3.120 -10.529 186 HA VAL 24 HA VAL 24 2.704 0.902 -11.588 187 HB VAL 24 HB VAL 24 0.905 0.957 -9.170 188 HG11 VAL 24 HG11 VAL 24 1.600 -1.333 -10.978 189 HG12 VAL 24 HG12 VAL 24 1.497 -1.618 -9.224 190 HG13 VAL 24 HG13 VAL 24 0.088 -0.983 -10.106 191 HG21 VAL 24 HG21 VAL 24 2.902 -0.239 -8.167 192 HG22 VAL 24 HG22 VAL 24 3.786 0.157 -9.660 193 HG23 VAL 24 HG23 VAL 24 3.168 1.462 -8.619 194 HA PRO 25 HA PRO 25 -1.002 2.109 -14.178 195 HB2 PRO 25 HB2 PRO 25 0.971 0.837 -16.099 196 HB3 PRO 25 HB3 PRO 25 -0.082 2.277 -16.289 197 HG2 PRO 25 HG2 PRO 25 2.609 2.620 -15.741 198 HG3 PRO 25 HG3 PRO 25 1.174 3.547 -15.193 199 HD2 PRO 25 HD2 PRO 25 2.851 1.457 -13.724 200 HD3 PRO 25 HD3 PRO 25 2.197 3.007 -13.113 201 H ASP 26 HN ASP 26 0.892 -0.820 -13.445 202 HA ASP 26 HA ASP 26 -1.031 -2.474 -14.777 203 HB2 ASP 26 HB2 ASP 26 0.816 -3.783 -12.876 204 HB3 ASP 26 HB3 ASP 26 0.549 -4.120 -14.574 205 HD2 ASP 26 HD2 ASP 26 2.214 -2.480 -16.067 206 H CYS 27 HN CYS 27 -3.010 -2.111 -13.579 207 HA CYS 27 HA CYS 27 -2.997 -2.214 -10.736 208 HB2 CYS 27 HB2 CYS 27 -5.503 -2.541 -12.326 209 HB3 CYS 27 HB3 CYS 27 -5.228 -1.669 -10.831 210 H LYS 28 HN LYS 28 -1.681 -4.442 -11.171 211 HA LYS 28 HA LYS 28 -3.677 -6.542 -10.800 212 HB2 LYS 28 HB2 LYS 28 -1.922 -7.986 -12.165 213 HB3 LYS 28 HB3 LYS 28 -3.236 -7.135 -12.952 214 HG2 LYS 28 HG2 LYS 28 -1.745 -5.230 -13.473 215 HG3 LYS 28 HG3 LYS 28 -0.431 -5.979 -12.587 216 HD2 LYS 28 HD2 LYS 28 0.118 -6.675 -14.736 217 HD3 LYS 28 HD3 LYS 28 -0.887 -8.025 -14.248 218 HE2 LYS 28 HE2 LYS 28 -2.495 -7.524 -15.789 219 HE3 LYS 28 HE3 LYS 28 -2.505 -5.827 -15.351 220 HZ1 LYS 28 HZ1 LYS 28 -0.655 -5.427 -16.788 221 HZ2 LYS 28 HZ2 LYS 28 -0.356 -7.011 -17.019 222 H LYS 29 HN LYS 29 -0.188 -5.575 -10.668 223 HA LYS 29 HA LYS 29 0.647 -7.550 -8.936 224 HB2 LYS 29 HB2 LYS 29 2.307 -6.293 -9.997 225 HB3 LYS 29 HB3 LYS 29 1.591 -4.759 -9.546 226 HG2 LYS 29 HG2 LYS 29 3.495 -5.041 -8.107 227 HG3 LYS 29 HG3 LYS 29 2.090 -5.342 -7.104 228 HD2 LYS 29 HD2 LYS 29 2.631 -7.545 -6.785 229 HD3 LYS 29 HD3 LYS 29 3.078 -7.781 -8.462 230 HE2 LYS 29 HE2 LYS 29 5.259 -7.739 -7.844 231 HE3 LYS 29 HE3 LYS 29 5.071 -6.051 -7.410 232 HZ1 LYS 29 HZ1 LYS 29 4.340 -8.228 -5.536 233 HZ2 LYS 29 HZ2 LYS 29 5.835 -7.585 -5.568 234 H CYS 30 HN CYS 30 -1.538 -4.897 -8.411 235 HA CYS 30 HA CYS 30 -1.198 -5.201 -5.522 236 HB2 CYS 30 HB2 CYS 30 -1.758 -2.902 -7.236 237 HB3 CYS 30 HB3 CYS 30 -2.944 -3.063 -5.956 238 H HIS 31 HN HIS 31 -3.360 -5.492 -8.343 239 HA HIS 31 HA HIS 31 -5.440 -6.506 -6.547 240 HB2 HIS 31 HB2 HIS 31 -5.613 -5.155 -9.246 241 HB3 HIS 31 HB3 HIS 31 -6.951 -6.055 -8.561 242 HD1 HIS 31 HD1 HIS 31 -7.722 -5.156 -6.043 243 HD2 HIS 31 HD2 HIS 31 -5.531 -2.529 -8.471 244 HE1 HIS 31 HE1 HIS 31 -8.110 -2.818 -5.098 245 H GLU 32 HN GLU 32 -5.401 -8.693 -6.444 246 HA GLU 32 HA GLU 32 -4.172 -10.169 -8.529 247 HB2 GLU 32 HB2 GLU 32 -5.414 -10.785 -5.860 248 HB3 GLU 32 HB3 GLU 32 -5.253 -12.106 -7.000 249 HG2 GLU 32 HG2 GLU 32 -2.764 -11.099 -7.262 250 HG3 GLU 32 HG3 GLU 32 -3.099 -10.479 -5.657 251 HE2 GLU 32 HE2 GLU 32 -2.001 -13.066 -7.266 252 H LYS 33 HN LYS 33 -7.130 -11.483 -7.093 253 HA LYS 33 HA LYS 33 -8.211 -12.500 -9.313 254 HB2 LYS 33 HB2 LYS 33 -9.441 -11.399 -6.803 255 HB3 LYS 33 HB3 LYS 33 -10.480 -11.984 -8.086 256 HG2 LYS 33 HG2 LYS 33 -8.406 -13.933 -7.789 257 HG3 LYS 33 HG3 LYS 33 -8.916 -13.513 -6.166 258 HD2 LYS 33 HD2 LYS 33 -10.690 -14.899 -6.458 259 HD3 LYS 33 HD3 LYS 33 -11.339 -13.722 -7.582 260 HE2 LYS 33 HE2 LYS 33 -9.905 -14.854 -9.406 261 HE3 LYS 33 HE3 LYS 33 -9.587 -16.129 -8.246 262 HZ1 LYS 33 HZ1 LYS 33 -11.526 -16.624 -9.657 263 HZ2 LYS 33 HZ2 LYS 33 -11.975 -16.535 -8.095 264 H GLY 34 HN GLY 34 -8.103 -9.077 -8.400 265 HA2 GLY 34 HA1 GLY 34 -8.296 -7.946 -10.804 266 HA3 GLY 34 HA2 GLY 34 -9.980 -8.314 -10.488 267 HA PRO 35 HA PRO 35 -8.752 -4.152 -8.647 268 HB2 PRO 35 HB2 PRO 35 -10.739 -2.735 -9.898 269 HB3 PRO 35 HB3 PRO 35 -9.176 -3.115 -10.692 270 HG2 PRO 35 HG2 PRO 35 -11.544 -4.533 -10.628 271 HG3 PRO 35 HG3 PRO 35 -11.050 -4.319 -12.339 272 HD2 PRO 35 HD2 PRO 35 -10.342 -6.589 -11.510 273 HD3 PRO 35 HD3 PRO 35 -8.894 -5.559 -11.726 274 H GLY 36 HN GLY 36 -9.530 -3.966 -6.548 275 HA2 GLY 36 HA1 GLY 36 -11.835 -3.319 -5.575 276 HA3 GLY 36 HA2 GLY 36 -12.251 -4.957 -6.038 277 H LYS 37 HN LYS 37 -12.600 -5.563 -3.808 278 HA LYS 37 HA LYS 37 -10.707 -5.177 -1.802 279 HB2 LYS 37 HB2 LYS 37 -12.065 -6.542 -0.488 280 HB3 LYS 37 HB3 LYS 37 -13.181 -5.830 -1.635 281 HG2 LYS 37 HG2 LYS 37 -13.161 -7.858 -3.015 282 HG3 LYS 37 HG3 LYS 37 -11.880 -8.560 -2.047 283 HD2 LYS 37 HD2 LYS 37 -13.882 -9.585 -1.241 284 HD3 LYS 37 HD3 LYS 37 -13.472 -8.389 -0.027 285 HE2 LYS 37 HE2 LYS 37 -15.095 -6.789 -1.006 286 HE3 LYS 37 HE3 LYS 37 -15.457 -7.911 -2.302 287 HZ1 LYS 37 HZ1 LYS 37 -16.910 -8.943 -0.956 288 HZ2 LYS 37 HZ2 LYS 37 -15.781 -9.223 0.184 289 H ILE 38 HN ILE 38 -9.132 -6.599 -0.869 290 HA ILE 38 HA ILE 38 -8.189 -8.616 -2.787 291 HB ILE 38 HB ILE 38 -6.524 -7.003 -0.856 292 HG12 ILE 38 HG12 ILE 38 -6.728 -6.569 -3.843 293 HG13 ILE 38 HG13 ILE 38 -7.679 -5.657 -2.688 294 HG21 ILE 38 HG21 ILE 38 -4.901 -8.433 -1.337 295 HG22 ILE 38 HG22 ILE 38 -6.006 -9.363 -2.377 296 HG23 ILE 38 HG23 ILE 38 -5.052 -8.026 -3.063 297 HD11 ILE 38 HD11 ILE 38 -5.312 -4.755 -3.494 298 HD12 ILE 38 HD12 ILE 38 -5.816 -4.554 -1.799 299 HD13 ILE 38 HD13 ILE 38 -4.699 -5.866 -2.246 300 H GLU 39 HN GLU 39 -7.906 -10.690 -2.062 301 HA GLU 39 HA GLU 39 -8.567 -11.078 0.745 302 HB2 GLU 39 HB2 GLU 39 -9.519 -12.307 -1.643 303 HB3 GLU 39 HB3 GLU 39 -8.569 -13.529 -0.823 304 HG2 GLU 39 HG2 GLU 39 -10.007 -12.382 1.279 305 HG3 GLU 39 HG3 GLU 39 -11.159 -12.321 -0.041 306 HE2 GLU 39 HE2 GLU 39 -12.321 -13.892 0.946 307 H GLY 40 HN GLY 40 -6.794 -11.352 2.030 308 HA2 GLY 40 HA1 GLY 40 -5.113 -13.187 2.425 309 HA3 GLY 40 HA2 GLY 40 -4.462 -12.741 0.860 310 H PHE 41 HN PHE 41 -4.750 -9.898 0.946 311 HA PHE 41 HA PHE 41 -2.426 -9.174 2.235 312 HB2 PHE 41 HB2 PHE 41 -3.589 -7.926 0.394 313 HB3 PHE 41 HB3 PHE 41 -4.957 -7.614 1.443 314 HD1 PHE 41 HD2 PHE 41 -1.422 -6.780 0.819 315 HD2 PHE 41 HD1 PHE 41 -4.929 -5.808 3.002 316 HE1 PHE 41 HE2 PHE 41 -0.369 -4.621 1.548 317 HE2 PHE 41 HE1 PHE 41 -3.876 -3.649 3.731 318 HZ PHE 41 HZ PHE 41 -1.609 -3.081 2.995 319 H GLY 42 HN GLY 42 -2.295 -7.328 3.942 320 HA2 GLY 42 HA1 GLY 42 -4.275 -6.881 5.831 321 HA3 GLY 42 HA2 GLY 42 -3.406 -8.307 6.361 322 H LYS 43 HN LYS 43 -2.165 -7.563 8.064 323 HA LYS 43 HA LYS 43 -0.848 -5.018 7.862 324 HB2 LYS 43 HB2 LYS 43 -1.875 -5.894 9.965 325 HB3 LYS 43 HB3 LYS 43 -0.653 -7.149 10.011 326 HG2 LYS 43 HG2 LYS 43 0.738 -4.677 9.597 327 HG3 LYS 43 HG3 LYS 43 -0.443 -4.378 10.857 328 HD2 LYS 43 HD2 LYS 43 0.930 -6.970 11.204 329 HD3 LYS 43 HD3 LYS 43 2.050 -5.622 11.192 330 HE2 LYS 43 HE2 LYS 43 0.439 -4.475 12.882 331 HE3 LYS 43 HE3 LYS 43 -0.332 -6.040 13.045 332 HZ1 LYS 43 HZ1 LYS 43 1.284 -6.483 14.529 333 HZ2 LYS 43 HZ2 LYS 43 2.351 -6.571 13.301 334 H GLU 44 HN GLU 44 0.563 -8.200 8.853 335 HA GLU 44 HA GLU 44 3.086 -7.760 8.359 336 HB2 GLU 44 HB2 GLU 44 3.304 -10.015 8.554 337 HB3 GLU 44 HB3 GLU 44 1.562 -10.020 8.740 338 HG2 GLU 44 HG2 GLU 44 1.306 -10.319 6.261 339 HG3 GLU 44 HG3 GLU 44 3.049 -10.337 6.089 340 HE2 GLU 44 HE2 GLU 44 3.325 -13.467 7.755 341 H MET 45 HN MET 45 0.650 -8.487 5.796 342 HA MET 45 HA MET 45 2.313 -8.753 3.674 343 HB2 MET 45 HB2 MET 45 -0.380 -7.281 3.799 344 HB3 MET 45 HB3 MET 45 0.334 -7.927 2.334 345 HG2 MET 45 HG2 MET 45 0.104 -9.890 4.572 346 HG3 MET 45 HG3 MET 45 -1.429 -9.310 3.950 347 HE1 MET 45 HE1 MET 45 -0.439 -12.875 2.349 348 HE2 MET 45 HE2 MET 45 0.706 -12.286 3.578 349 HE3 MET 45 HE3 MET 45 -1.045 -12.106 3.835 350 H ALA 46 HN ALA 46 0.733 -5.658 4.770 351 HA ALA 46 HA ALA 46 1.970 -3.998 2.953 352 HB1 ALA 46 HB1 ALA 46 0.400 -3.804 5.380 353 HB2 ALA 46 HB2 ALA 46 1.683 -2.570 5.384 354 HB3 ALA 46 HB3 ALA 46 0.530 -2.651 4.030 355 H HIS 47 HN HIS 47 3.132 -5.332 6.075 356 HA HIS 47 HA HIS 47 5.474 -3.705 6.047 357 HB2 HIS 47 HB2 HIS 47 4.740 -6.134 7.704 358 HB3 HIS 47 HB3 HIS 47 6.140 -5.116 7.977 359 HD1 HIS 47 HD1 HIS 47 3.263 -5.629 9.674 360 HD2 HIS 47 HD2 HIS 47 4.734 -2.151 7.848 361 HE1 HIS 47 HE1 HIS 47 2.105 -3.671 10.829 362 H GLY 48 HN GLY 48 4.521 -6.027 3.960 363 HA2 GLY 48 HA1 GLY 48 7.259 -6.710 3.275 364 HA3 GLY 48 HA2 GLY 48 6.245 -8.059 3.747 365 H LYS 49 HN LYS 49 5.845 -9.115 1.818 366 HA LYS 49 HA LYS 49 5.556 -7.841 -0.636 367 HB2 LYS 49 HB2 LYS 49 5.216 -10.549 0.470 368 HB3 LYS 49 HB3 LYS 49 4.186 -10.214 -0.908 369 HG2 LYS 49 HG2 LYS 49 6.124 -9.523 -2.260 370 HG3 LYS 49 HG3 LYS 49 7.189 -9.661 -0.875 371 HD2 LYS 49 HD2 LYS 49 5.667 -12.142 -1.331 372 HD3 LYS 49 HD3 LYS 49 6.603 -11.688 -2.741 373 HE2 LYS 49 HE2 LYS 49 8.673 -11.678 -1.495 374 HE3 LYS 49 HE3 LYS 49 7.837 -11.721 0.044 375 HZ1 LYS 49 HZ1 LYS 49 7.168 -13.960 -0.354 376 HZ2 LYS 49 HZ2 LYS 49 7.598 -13.925 -1.924 377 H GLY 50 HN GLY 50 4.176 -5.999 -0.260 378 HA2 GLY 50 HA1 GLY 50 1.498 -6.422 -0.973 379 HA3 GLY 50 HA2 GLY 50 1.567 -6.194 0.763 380 H CYS 51 HN CYS 51 3.719 -4.368 1.033 381 HA CYS 51 HA CYS 51 2.964 -2.133 -0.672 382 HB2 CYS 51 HB2 CYS 51 3.059 -1.926 2.343 383 HB3 CYS 51 HB3 CYS 51 2.741 -0.624 1.213 384 H LYS 52 HN LYS 52 5.007 -3.228 2.139 385 HA LYS 52 HA LYS 52 7.139 -1.496 1.483 386 HB2 LYS 52 HB2 LYS 52 6.407 -3.225 3.608 387 HB3 LYS 52 HB3 LYS 52 7.975 -3.769 3.046 388 HG2 LYS 52 HG2 LYS 52 7.652 -0.803 3.286 389 HG3 LYS 52 HG3 LYS 52 7.622 -1.689 4.797 390 HD2 LYS 52 HD2 LYS 52 9.774 -2.566 2.945 391 HD3 LYS 52 HD3 LYS 52 9.922 -0.895 3.452 392 HE2 LYS 52 HE2 LYS 52 10.717 -1.563 5.467 393 HE3 LYS 52 HE3 LYS 52 9.219 -2.412 5.789 394 HZ1 LYS 52 HZ1 LYS 52 11.246 -3.857 5.774 395 HZ2 LYS 52 HZ2 LYS 52 10.096 -4.371 4.742 396 H GLY 53 HN GLY 53 6.530 -5.030 0.959 397 HA2 GLY 53 HA1 GLY 53 8.794 -5.925 -0.127 398 HA3 GLY 53 HA2 GLY 53 7.217 -6.322 -0.780 399 H CYS 54 HN CYS 54 6.334 -3.939 -1.925 400 HA CYS 54 HA CYS 54 7.915 -3.894 -4.271 401 HB2 CYS 54 HB2 CYS 54 5.423 -3.677 -4.236 402 HB3 CYS 54 HB3 CYS 54 5.594 -2.090 -3.514 403 H HIS 55 HN HIS 55 7.341 -1.744 -1.436 404 HA HIS 55 HA HIS 55 8.707 0.472 -2.411 405 HB2 HIS 55 HB2 HIS 55 8.222 -0.491 0.420 406 HB3 HIS 55 HB3 HIS 55 8.894 1.078 0.023 407 HD1 HIS 55 HD1 HIS 55 6.195 0.820 1.542 408 HD2 HIS 55 HD2 HIS 55 6.538 1.259 -2.616 409 HE1 HIS 55 HE1 HIS 55 3.975 1.788 0.740 410 H GLU 56 HN GLU 56 9.811 -2.378 -0.475 411 HA GLU 56 HA GLU 56 12.472 -1.391 -0.422 412 HB2 GLU 56 HB2 GLU 56 12.874 -3.833 0.454 413 HB3 GLU 56 HB3 GLU 56 11.979 -2.703 1.451 414 HG2 GLU 56 HG2 GLU 56 9.991 -3.838 1.199 415 HG3 GLU 56 HG3 GLU 56 10.297 -4.215 -0.485 416 HE2 GLU 56 HE2 GLU 56 10.299 -6.104 2.500 417 H GLU 57 HN GLU 57 10.496 -3.366 -2.560 418 HA GLU 57 HA GLU 57 12.722 -4.635 -3.789 419 HB2 GLU 57 HB2 GLU 57 10.629 -5.823 -3.803 420 HB3 GLU 57 HB3 GLU 57 9.762 -4.448 -4.458 421 HG2 GLU 57 HG2 GLU 57 10.157 -6.097 -6.239 422 HG3 GLU 57 HG3 GLU 57 11.055 -4.632 -6.586 423 HE2 GLU 57 HE2 GLU 57 13.213 -7.313 -4.676 424 H MET 58 HN MET 58 10.644 -1.772 -4.383 425 HA MET 58 HA MET 58 12.052 -1.282 -6.858 426 HB2 MET 58 HB2 MET 58 9.715 0.103 -5.434 427 HB3 MET 58 HB3 MET 58 10.376 0.678 -6.952 428 HG2 MET 58 HG2 MET 58 9.977 -1.857 -7.724 429 HG3 MET 58 HG3 MET 58 8.831 -1.862 -6.398 430 HE1 MET 58 HE1 MET 58 8.443 -2.331 -9.409 431 HE2 MET 58 HE2 MET 58 7.440 -1.124 -10.250 432 HE3 MET 58 HE3 MET 58 9.208 -0.924 -10.186 433 H LYS 59 HN LYS 59 11.537 0.147 -3.586 434 HA LYS 59 HA LYS 59 12.876 1.458 -2.388 435 HB2 LYS 59 HB2 LYS 59 14.794 1.681 -4.717 436 HB3 LYS 59 HB3 LYS 59 15.122 1.959 -3.019 437 HG2 LYS 59 HG2 LYS 59 14.116 -0.748 -3.962 438 HG3 LYS 59 HG3 LYS 59 15.816 -0.341 -4.096 439 HD2 LYS 59 HD2 LYS 59 15.408 0.418 -1.515 440 HD3 LYS 59 HD3 LYS 59 14.159 -0.804 -1.634 441 HE2 LYS 59 HE2 LYS 59 15.783 -2.344 -1.232 442 HE3 LYS 59 HE3 LYS 59 16.356 -2.040 -2.860 443 HZ1 LYS 59 HZ1 LYS 59 18.048 -0.707 -2.084 444 HZ2 LYS 59 HZ2 LYS 59 17.240 -0.187 -0.770 445 H LYS 60 HN LYS 60 10.598 2.430 -3.528 446 HA LYS 60 HA LYS 60 11.435 5.148 -4.236 447 HB2 LYS 60 HB2 LYS 60 9.278 3.508 -5.594 448 HB3 LYS 60 HB3 LYS 60 9.459 5.240 -5.785 449 HG2 LYS 60 HG2 LYS 60 11.315 5.036 -7.126 450 HG3 LYS 60 HG3 LYS 60 11.984 3.721 -6.181 451 HD2 LYS 60 HD2 LYS 60 11.366 2.359 -7.897 452 HD3 LYS 60 HD3 LYS 60 9.726 2.537 -7.306 453 HE2 LYS 60 HE2 LYS 60 9.125 4.023 -8.983 454 HE3 LYS 60 HE3 LYS 60 10.716 4.753 -9.062 455 HZ1 LYS 60 HZ1 LYS 60 9.748 2.901 -10.818 456 HZ2 LYS 60 HZ2 LYS 60 11.316 3.318 -10.678 457 H GLY 61 HN GLY 61 8.885 2.930 -2.971 458 HA2 GLY 61 HA1 GLY 61 7.384 5.080 -1.793 459 HA3 GLY 61 HA2 GLY 61 7.119 3.357 -1.610 460 HA PRO 62 HA PRO 62 8.936 5.059 2.334 461 HB2 PRO 62 HB2 PRO 62 6.861 4.500 3.986 462 HB3 PRO 62 HB3 PRO 62 6.824 5.927 2.899 463 HG2 PRO 62 HG2 PRO 62 5.180 3.204 2.111 464 HG3 PRO 62 HG3 PRO 62 5.103 4.966 2.440 465 HD2 PRO 62 HD2 PRO 62 5.881 3.636 -0.013 466 HD3 PRO 62 HD3 PRO 62 5.997 5.385 0.348 467 H THR 63 HN THR 63 10.117 3.706 3.756 468 HA THR 63 HA THR 63 9.252 0.920 3.938 469 HB THR 63 HB THR 63 11.838 0.435 3.540 470 HG1 THR 63 HG1 THR 63 12.495 2.639 3.356 471 HG21 THR 63 HG21 THR 63 10.872 1.269 0.907 472 HG22 THR 63 HG22 THR 63 11.141 -0.380 1.521 473 HG23 THR 63 HG23 THR 63 9.581 0.431 1.801 474 H LYS 64 HN LYS 64 9.142 3.269 5.742 475 HA LYS 64 HA LYS 64 10.671 2.033 7.898 476 HB2 LYS 64 HB2 LYS 64 11.465 4.436 6.670 477 HB3 LYS 64 HB3 LYS 64 10.683 4.922 8.160 478 HG2 LYS 64 HG2 LYS 64 12.101 3.225 9.401 479 HG3 LYS 64 HG3 LYS 64 12.937 2.877 7.901 480 HD2 LYS 64 HD2 LYS 64 14.366 4.554 8.473 481 HD3 LYS 64 HD3 LYS 64 13.084 5.656 8.012 482 HE2 LYS 64 HE2 LYS 64 12.842 6.346 10.161 483 HE3 LYS 64 HE3 LYS 64 12.538 4.704 10.692 484 HZ1 LYS 64 HZ1 LYS 64 14.587 4.651 11.574 485 HZ2 LYS 64 HZ2 LYS 64 15.296 5.004 10.151 486 H CYS 65 HN CYS 65 9.772 2.507 10.042 487 HA CYS 65 HA CYS 65 7.020 2.312 10.063 488 HB2 CYS 65 HB2 CYS 65 8.554 3.385 12.412 489 HB3 CYS 65 HB3 CYS 65 7.150 2.336 12.393 490 H GLY 66 HN GLY 66 9.258 5.117 10.470 491 HA2 GLY 66 HA1 GLY 66 7.049 6.962 10.872 492 HA3 GLY 66 HA2 GLY 66 8.764 7.323 10.870 493 H GLU 67 HN GLU 67 7.695 5.307 8.227 494 HA GLU 67 HA GLU 67 7.729 7.673 6.519 495 HB2 GLU 67 HB2 GLU 67 9.388 5.351 6.464 496 HB3 GLU 67 HB3 GLU 67 8.332 5.227 5.071 497 HG2 GLU 67 HG2 GLU 67 8.964 7.810 4.759 498 HG3 GLU 67 HG3 GLU 67 10.352 7.374 5.735 499 HE2 GLU 67 HE2 GLU 67 10.854 6.943 2.131 500 H CYS 68 HN CYS 68 5.705 5.465 7.913 501 HA CYS 68 HA CYS 68 3.900 5.589 5.618 502 HB2 CYS 68 HB2 CYS 68 4.960 3.180 6.868 503 HB3 CYS 68 HB3 CYS 68 3.211 3.233 6.973 504 H HIS 69 HN HIS 69 4.096 4.564 9.115 505 HA HIS 69 HA HIS 69 1.472 5.492 9.630 506 HB2 HIS 69 HB2 HIS 69 3.707 4.664 11.502 507 HB3 HIS 69 HB3 HIS 69 2.055 4.975 11.993 508 HD1 HIS 69 HD1 HIS 69 0.186 3.335 10.805 509 HD2 HIS 69 HD2 HIS 69 4.188 2.082 10.693 510 HE1 HIS 69 HE1 HIS 69 0.139 0.837 10.286 511 H LYS 70 HN LYS 70 0.959 7.625 9.576 512 HA LYS 70 HA LYS 70 2.783 9.430 10.994 513 HB2 LYS 70 HB2 LYS 70 1.361 10.149 8.419 514 HB3 LYS 70 HB3 LYS 70 2.524 11.116 9.303 515 HG2 LYS 70 HG2 LYS 70 4.348 9.795 8.642 516 HG3 LYS 70 HG3 LYS 70 3.371 8.357 8.428 517 HD2 LYS 70 HD2 LYS 70 2.787 8.902 6.265 518 HD3 LYS 70 HD3 LYS 70 2.648 10.612 6.619 519 HE2 LYS 70 HE2 LYS 70 4.771 11.031 5.907 520 HE3 LYS 70 HE3 LYS 70 5.432 9.729 6.877 521 HZ1 LYS 70 HZ1 LYS 70 4.682 9.694 4.088 522 HZ2 LYS 70 HZ2 LYS 70 5.758 8.756 4.872 523 H LYS 71 HN LYS 71 1.668 9.850 12.842 524 HA LYS 71 HA LYS 71 -1.114 9.733 13.026 525 HB2 LYS 71 HB2 LYS 71 0.006 9.428 15.030 526 HB3 LYS 71 HB3 LYS 71 1.113 10.758 14.753 527 HG2 LYS 71 HG2 LYS 71 -0.314 12.300 15.661 528 HG3 LYS 71 HG3 LYS 71 -1.712 11.632 14.843 529 HD2 LYS 71 HD2 LYS 71 -1.067 9.639 16.706 530 HD3 LYS 71 HD3 LYS 71 -0.716 11.118 17.579 531 HE2 LYS 71 HE2 LYS 71 -2.991 11.986 17.077 532 HE3 LYS 71 HE3 LYS 71 -3.348 10.556 16.128 533 HZ1 LYS 71 HZ1 LYS 71 -3.967 9.561 18.027 534 HZ2 LYS 71 HZ2 LYS 71 -2.460 9.683 18.630 Start of MODEL 2 1 H1 ALA 1 HN ALA 1 -11.025 10.297 -1.136 2 HA ALA 1 HA ALA 1 -12.030 10.487 -3.740 3 HB1 ALA 1 HB1 ALA 1 -10.514 12.689 -3.212 4 HB2 ALA 1 HB2 ALA 1 -9.261 11.569 -3.797 5 HB3 ALA 1 HB3 ALA 1 -10.662 11.953 -4.826 6 H ASP 2 HN ASP 2 -9.471 9.840 -5.058 7 HA ASP 2 HA ASP 2 -9.422 7.208 -4.871 8 HB2 ASP 2 HB2 ASP 2 -7.588 9.280 -5.769 9 HB3 ASP 2 HB3 ASP 2 -6.662 7.963 -5.077 10 HD2 ASP 2 HD2 ASP 2 -8.635 5.837 -7.324 11 H ASP 3 HN ASP 3 -7.567 9.552 -2.821 12 HA ASP 3 HA ASP 3 -5.887 8.057 -1.475 13 HB2 ASP 3 HB2 ASP 3 -6.089 10.333 -0.825 14 HB3 ASP 3 HB3 ASP 3 -7.809 10.193 -0.521 15 HD2 ASP 3 HD2 ASP 3 -7.252 9.892 2.794 16 H ILE 4 HN ILE 4 -6.016 6.134 -0.302 17 HA ILE 4 HA ILE 4 -8.638 5.469 0.849 18 HB ILE 4 HB ILE 4 -6.715 3.911 -0.776 19 HG12 ILE 4 HG12 ILE 4 -9.719 3.960 -0.405 20 HG13 ILE 4 HG13 ILE 4 -8.799 4.568 -1.767 21 HG21 ILE 4 HG21 ILE 4 -8.194 2.723 1.582 22 HG22 ILE 4 HG22 ILE 4 -7.546 1.771 0.225 23 HG23 ILE 4 HG23 ILE 4 -6.442 2.702 1.266 24 HD11 ILE 4 HD11 ILE 4 -9.608 2.456 -2.503 25 HD12 ILE 4 HD12 ILE 4 -7.918 2.135 -2.044 26 HD13 ILE 4 HD13 ILE 4 -9.241 1.677 -0.944 27 H VAL 5 HN VAL 5 -8.524 5.943 2.988 28 HA VAL 5 HA VAL 5 -6.004 5.676 4.361 29 HB VAL 5 HB VAL 5 -8.686 6.322 5.568 30 HG11 VAL 5 HG11 VAL 5 -6.523 7.922 6.534 31 HG12 VAL 5 HG12 VAL 5 -7.479 6.698 7.403 32 HG13 VAL 5 HG13 VAL 5 -6.001 6.220 6.533 33 HG21 VAL 5 HG21 VAL 5 -8.868 8.030 4.120 34 HG22 VAL 5 HG22 VAL 5 -7.536 8.771 5.037 35 HG23 VAL 5 HG23 VAL 5 -7.190 7.852 3.553 36 H LEU 6 HN LEU 6 -5.354 3.965 5.592 37 HA LEU 6 HA LEU 6 -7.280 1.775 5.831 38 HB2 LEU 6 HB2 LEU 6 -4.262 1.793 5.963 39 HB3 LEU 6 HB3 LEU 6 -5.271 0.379 6.191 40 HG LEU 6 HG LEU 6 -5.357 2.006 3.648 41 HD11 LEU 6 HD11 LEU 6 -3.026 1.025 4.367 42 HD12 LEU 6 HD12 LEU 6 -3.744 -0.510 3.822 43 HD13 LEU 6 HD13 LEU 6 -3.612 0.861 2.694 44 HD21 LEU 6 HD21 LEU 6 -6.170 -0.837 4.310 45 HD22 LEU 6 HD22 LEU 6 -7.251 0.538 3.979 46 HD23 LEU 6 HD23 LEU 6 -6.209 -0.106 2.688 47 H LYS 7 HN LYS 7 -7.410 0.587 7.870 48 HA LYS 7 HA LYS 7 -7.384 2.402 10.076 49 HB2 LYS 7 HB2 LYS 7 -8.346 0.472 11.304 50 HB3 LYS 7 HB3 LYS 7 -9.227 0.882 9.846 51 HG2 LYS 7 HG2 LYS 7 -8.600 -1.061 8.742 52 HG3 LYS 7 HG3 LYS 7 -7.031 -1.131 9.518 53 HD2 LYS 7 HD2 LYS 7 -8.795 -1.489 11.663 54 HD3 LYS 7 HD3 LYS 7 -9.597 -2.341 10.358 55 HE2 LYS 7 HE2 LYS 7 -6.690 -2.879 10.437 56 HE3 LYS 7 HE3 LYS 7 -7.496 -3.338 11.924 57 HZ1 LYS 7 HZ1 LYS 7 -8.181 -5.156 10.819 58 HZ2 LYS 7 HZ2 LYS 7 -9.147 -4.228 9.893 59 H ALA 8 HN ALA 8 -5.879 2.628 11.672 60 HA ALA 8 HA ALA 8 -4.131 0.587 12.451 61 HB1 ALA 8 HB1 ALA 8 -3.233 2.377 10.232 62 HB2 ALA 8 HB2 ALA 8 -2.064 2.060 11.537 63 HB3 ALA 8 HB3 ALA 8 -2.759 0.705 10.616 64 H LYS 9 HN LYS 9 -4.420 1.147 14.573 65 HA LYS 9 HA LYS 9 -4.674 3.831 15.401 66 HB2 LYS 9 HB2 LYS 9 -4.828 2.941 17.601 67 HB3 LYS 9 HB3 LYS 9 -5.654 1.822 16.536 68 HG2 LYS 9 HG2 LYS 9 -4.145 0.138 16.918 69 HG3 LYS 9 HG3 LYS 9 -2.767 1.219 16.842 70 HD2 LYS 9 HD2 LYS 9 -2.736 1.556 19.113 71 HD3 LYS 9 HD3 LYS 9 -4.482 1.660 19.226 72 HE2 LYS 9 HE2 LYS 9 -4.739 -0.613 19.600 73 HE3 LYS 9 HE3 LYS 9 -3.398 -1.050 18.560 74 HZ1 LYS 9 HZ1 LYS 9 -2.142 0.242 20.568 75 HZ2 LYS 9 HZ2 LYS 9 -3.366 -0.453 21.388 76 H ASN 10 HN ASN 10 -1.989 2.012 14.353 77 HA ASN 10 HA ASN 10 -0.144 3.293 16.130 78 HB2 ASN 10 HB2 ASN 10 0.276 1.510 13.673 79 HB3 ASN 10 HB3 ASN 10 1.576 2.076 14.703 80 HD21 ASN 10 HD21 ASN 10 2.122 0.938 16.416 81 HD22 ASN 10 HD22 ASN 10 1.228 -0.367 17.122 82 H GLY 11 HN GLY 11 -1.971 4.332 13.578 83 HA2 GLY 11 HA1 GLY 11 -1.389 6.632 12.880 84 HA3 GLY 11 HA2 GLY 11 0.187 6.006 12.437 85 H ASP 12 HN ASP 12 -2.964 6.694 11.323 86 HA ASP 12 HA ASP 12 -3.624 4.768 9.601 87 HB2 ASP 12 HB2 ASP 12 -3.921 7.712 9.713 88 HB3 ASP 12 HB3 ASP 12 -4.013 7.089 8.078 89 HD2 ASP 12 HD2 ASP 12 -6.140 8.031 8.497 90 H VAL 13 HN VAL 13 -3.244 4.542 7.184 91 HA VAL 13 HA VAL 13 -0.595 5.554 6.410 92 HB VAL 13 HB VAL 13 -1.783 2.855 5.742 93 HG11 VAL 13 HG11 VAL 13 0.676 4.323 4.929 94 HG12 VAL 13 HG12 VAL 13 0.857 2.590 5.289 95 HG13 VAL 13 HG13 VAL 13 -0.294 3.124 4.042 96 HG21 VAL 13 HG21 VAL 13 0.145 3.705 7.907 97 HG22 VAL 13 HG22 VAL 13 -1.319 2.701 8.040 98 HG23 VAL 13 HG23 VAL 13 0.140 2.048 7.257 99 H LYS 14 HN LYS 14 -1.595 7.362 5.352 100 HA LYS 14 HA LYS 14 -3.705 7.045 3.530 101 HB2 LYS 14 HB2 LYS 14 -3.355 9.186 4.465 102 HB3 LYS 14 HB3 LYS 14 -1.658 9.206 4.029 103 HG2 LYS 14 HG2 LYS 14 -2.965 8.816 1.567 104 HG3 LYS 14 HG3 LYS 14 -4.012 9.938 2.412 105 HD2 LYS 14 HD2 LYS 14 -2.088 11.453 2.839 106 HD3 LYS 14 HD3 LYS 14 -0.999 10.315 2.070 107 HE2 LYS 14 HE2 LYS 14 -3.149 10.784 0.222 108 HE3 LYS 14 HE3 LYS 14 -2.653 12.350 0.832 109 HZ1 LYS 14 HZ1 LYS 14 -0.317 11.676 0.285 110 HZ2 LYS 14 HZ2 LYS 14 -0.885 10.331 -0.435 111 H LEU 15 HN LEU 15 -3.602 5.695 1.807 112 HA LEU 15 HA LEU 15 -1.062 5.575 0.361 113 HB2 LEU 15 HB2 LEU 15 -1.643 3.427 0.918 114 HB3 LEU 15 HB3 LEU 15 -3.363 3.718 0.752 115 HG LEU 15 HG LEU 15 -2.523 4.062 -1.832 116 HD11 LEU 15 HD11 LEU 15 -0.800 2.695 -2.449 117 HD12 LEU 15 HD12 LEU 15 -0.229 3.194 -0.839 118 HD13 LEU 15 HD13 LEU 15 -1.007 1.608 -1.055 119 HD21 LEU 15 HD21 LEU 15 -3.451 1.812 -2.237 120 HD22 LEU 15 HD22 LEU 15 -3.422 1.500 -0.485 121 HD23 LEU 15 HD23 LEU 15 -4.464 2.785 -1.144 122 HA PRO 16 HA PRO 16 -2.932 8.254 -2.623 123 HB2 PRO 16 HB2 PRO 16 -0.711 8.403 -4.245 124 HB3 PRO 16 HB3 PRO 16 -0.832 9.248 -2.668 125 HG2 PRO 16 HG2 PRO 16 0.846 6.616 -3.162 126 HG3 PRO 16 HG3 PRO 16 0.825 8.250 -2.422 127 HD2 PRO 16 HD2 PRO 16 -0.028 5.715 -1.265 128 HD3 PRO 16 HD3 PRO 16 -0.145 7.343 -0.530 129 H HIS 17 HN HIS 17 -4.232 5.982 -2.944 130 HA HIS 17 HA HIS 17 -3.551 4.071 -4.659 131 HB2 HIS 17 HB2 HIS 17 -5.737 4.373 -3.474 132 HB3 HIS 17 HB3 HIS 17 -6.220 5.504 -4.723 133 HD1 HIS 17 HD1 HIS 17 -7.284 4.536 -6.795 134 HD2 HIS 17 HD2 HIS 17 -5.267 1.646 -4.521 135 HE1 HIS 17 HE1 HIS 17 -7.826 2.282 -7.860 136 H LYS 18 HN LYS 18 -4.907 7.288 -5.668 137 HA LYS 18 HA LYS 18 -4.872 6.933 -8.360 138 HB2 LYS 18 HB2 LYS 18 -5.809 8.892 -7.278 139 HB3 LYS 18 HB3 LYS 18 -4.224 9.418 -6.750 140 HG2 LYS 18 HG2 LYS 18 -3.665 9.250 -9.372 141 HG3 LYS 18 HG3 LYS 18 -5.401 9.431 -9.530 142 HD2 LYS 18 HD2 LYS 18 -4.532 11.660 -9.595 143 HD3 LYS 18 HD3 LYS 18 -5.219 11.483 -7.992 144 HE2 LYS 18 HE2 LYS 18 -3.178 12.284 -7.304 145 HE3 LYS 18 HE3 LYS 18 -2.677 10.615 -7.483 146 HZ1 LYS 18 HZ1 LYS 18 -1.182 11.475 -8.926 147 HZ2 LYS 18 HZ2 LYS 18 -2.401 11.585 -10.000 148 H ALA 19 HN ALA 19 -2.144 8.385 -6.438 149 HA ALA 19 HA ALA 19 -0.324 8.507 -8.475 150 HB1 ALA 19 HB1 ALA 19 1.256 8.868 -6.786 151 HB2 ALA 19 HB2 ALA 19 -0.270 9.292 -5.975 152 HB3 ALA 19 HB3 ALA 19 0.484 7.708 -5.677 153 H HIS 20 HN HIS 20 -0.932 5.764 -6.176 154 HA HIS 20 HA HIS 20 0.994 4.095 -7.308 155 HB2 HIS 20 HB2 HIS 20 -1.430 3.662 -5.575 156 HB3 HIS 20 HB3 HIS 20 -0.530 2.291 -6.193 157 HD1 HIS 20 HD1 HIS 20 -0.221 5.224 -3.831 158 HD2 HIS 20 HD2 HIS 20 1.984 1.854 -5.002 159 HE1 HIS 20 HE1 HIS 20 1.691 5.004 -2.156 160 H GLN 21 HN GLN 21 -2.141 5.137 -8.411 161 HA GLN 21 HA GLN 21 -2.551 2.827 -10.039 162 HB2 GLN 21 HB2 GLN 21 -4.038 5.299 -9.341 163 HB3 GLN 21 HB3 GLN 21 -4.293 4.761 -10.989 164 HG2 GLN 21 HG2 GLN 21 -4.882 2.477 -10.153 165 HG3 GLN 21 HG3 GLN 21 -4.622 3.011 -8.505 166 HE21 GLN 21 HE21 GLN 21 -6.864 2.519 -10.871 167 HE22 GLN 21 HE22 GLN 21 -8.166 3.513 -10.309 168 H LYS 22 HN LYS 22 -0.709 5.742 -10.205 169 HA LYS 22 HA LYS 22 -0.625 5.571 -13.133 170 HB2 LYS 22 HB2 LYS 22 -1.335 7.744 -12.073 171 HB3 LYS 22 HB3 LYS 22 0.266 7.871 -11.373 172 HG2 LYS 22 HG2 LYS 22 0.681 9.021 -13.334 173 HG3 LYS 22 HG3 LYS 22 1.018 7.405 -13.925 174 HD2 LYS 22 HD2 LYS 22 -1.160 7.204 -14.940 175 HD3 LYS 22 HD3 LYS 22 -1.782 8.591 -14.068 176 HE2 LYS 22 HE2 LYS 22 -0.685 10.138 -15.450 177 HE3 LYS 22 HE3 LYS 22 0.606 9.026 -15.859 178 HZ1 LYS 22 HZ1 LYS 22 -0.611 8.156 -17.556 179 HZ2 LYS 22 HZ2 LYS 22 -2.029 8.202 -16.757 180 H ALA 23 HN ALA 23 1.235 5.443 -10.090 181 HA ALA 23 HA ALA 23 3.769 5.371 -11.360 182 HB1 ALA 23 HB1 ALA 23 4.440 4.489 -9.046 183 HB2 ALA 23 HB2 ALA 23 3.666 6.091 -9.092 184 HB3 ALA 23 HB3 ALA 23 2.725 4.663 -8.599 185 H VAL 24 HN VAL 24 1.313 2.954 -10.375 186 HA VAL 24 HA VAL 24 3.066 0.874 -11.479 187 HB VAL 24 HB VAL 24 0.868 0.825 -9.415 188 HG11 VAL 24 HG11 VAL 24 1.991 -1.762 -9.663 189 HG12 VAL 24 HG12 VAL 24 0.322 -1.253 -10.014 190 HG13 VAL 24 HG13 VAL 24 1.547 -1.242 -11.306 191 HG21 VAL 24 HG21 VAL 24 3.594 -0.397 -9.101 192 HG22 VAL 24 HG22 VAL 24 3.404 1.367 -8.956 193 HG23 VAL 24 HG23 VAL 24 2.500 0.282 -7.872 194 HA PRO 25 HA PRO 25 -0.023 1.305 -14.738 195 HB2 PRO 25 HB2 PRO 25 1.625 0.506 -16.759 196 HB3 PRO 25 HB3 PRO 25 1.758 2.132 -16.014 197 HG2 PRO 25 HG2 PRO 25 3.247 -0.244 -15.512 198 HG3 PRO 25 HG3 PRO 25 4.005 1.372 -15.695 199 HD2 PRO 25 HD2 PRO 25 3.610 0.238 -13.240 200 HD3 PRO 25 HD3 PRO 25 3.371 1.994 -13.487 201 H ASP 26 HN ASP 26 -0.302 -0.827 -12.909 202 HA ASP 26 HA ASP 26 -1.089 -2.851 -14.689 203 HB2 ASP 26 HB2 ASP 26 1.564 -3.079 -13.862 204 HB3 ASP 26 HB3 ASP 26 0.728 -4.059 -12.674 205 HD2 ASP 26 HD2 ASP 26 1.712 -5.874 -13.551 206 H CYS 27 HN CYS 27 -3.131 -2.614 -13.613 207 HA CYS 27 HA CYS 27 -3.254 -2.602 -10.766 208 HB2 CYS 27 HB2 CYS 27 -5.679 -3.113 -12.415 209 HB3 CYS 27 HB3 CYS 27 -5.475 -2.116 -10.989 210 H LYS 28 HN LYS 28 -1.808 -4.794 -11.141 211 HA LYS 28 HA LYS 28 -3.729 -6.966 -10.762 212 HB2 LYS 28 HB2 LYS 28 -1.214 -7.607 -12.227 213 HB3 LYS 28 HB3 LYS 28 -2.791 -8.364 -12.312 214 HG2 LYS 28 HG2 LYS 28 -3.526 -6.000 -13.329 215 HG3 LYS 28 HG3 LYS 28 -1.816 -5.853 -13.685 216 HD2 LYS 28 HD2 LYS 28 -1.897 -8.075 -14.872 217 HD3 LYS 28 HD3 LYS 28 -3.620 -8.159 -14.560 218 HE2 LYS 28 HE2 LYS 28 -3.099 -5.579 -15.722 219 HE3 LYS 28 HE3 LYS 28 -2.241 -6.761 -16.690 220 HZ1 LYS 28 HZ1 LYS 28 -4.423 -8.054 -16.673 221 HZ2 LYS 28 HZ2 LYS 28 -5.140 -6.712 -16.094 222 H LYS 29 HN LYS 29 -0.155 -6.280 -10.723 223 HA LYS 29 HA LYS 29 0.525 -8.029 -8.759 224 HB2 LYS 29 HB2 LYS 29 2.164 -6.827 -10.057 225 HB3 LYS 29 HB3 LYS 29 1.653 -5.289 -9.391 226 HG2 LYS 29 HG2 LYS 29 3.517 -5.766 -8.053 227 HG3 LYS 29 HG3 LYS 29 2.216 -6.386 -7.055 228 HD2 LYS 29 HD2 LYS 29 2.883 -8.567 -7.309 229 HD3 LYS 29 HD3 LYS 29 3.236 -8.367 -9.013 230 HE2 LYS 29 HE2 LYS 29 5.059 -7.034 -7.003 231 HE3 LYS 29 HE3 LYS 29 5.198 -8.766 -7.234 232 HZ1 LYS 29 HZ1 LYS 29 6.456 -8.234 -9.009 233 HZ2 LYS 29 HZ2 LYS 29 5.101 -7.766 -9.782 234 H CYS 30 HN CYS 30 -1.395 -5.104 -8.502 235 HA CYS 30 HA CYS 30 -1.116 -5.173 -5.600 236 HB2 CYS 30 HB2 CYS 30 -1.681 -3.061 -7.568 237 HB3 CYS 30 HB3 CYS 30 -2.764 -3.030 -6.190 238 H HIS 31 HN HIS 31 -3.285 -5.740 -8.363 239 HA HIS 31 HA HIS 31 -5.372 -6.512 -6.455 240 HB2 HIS 31 HB2 HIS 31 -5.563 -5.290 -9.210 241 HB3 HIS 31 HB3 HIS 31 -6.908 -6.152 -8.490 242 HD1 HIS 31 HD1 HIS 31 -7.590 -5.162 -5.952 243 HD2 HIS 31 HD2 HIS 31 -5.521 -2.632 -8.581 244 HE1 HIS 31 HE1 HIS 31 -7.969 -2.786 -5.103 245 H GLU 32 HN GLU 32 -5.150 -8.691 -6.175 246 HA GLU 32 HA GLU 32 -4.093 -10.324 -8.191 247 HB2 GLU 32 HB2 GLU 32 -5.364 -10.759 -5.494 248 HB3 GLU 32 HB3 GLU 32 -5.181 -12.144 -6.551 249 HG2 GLU 32 HG2 GLU 32 -2.693 -10.837 -6.736 250 HG3 GLU 32 HG3 GLU 32 -3.128 -10.660 -5.048 251 HE2 GLU 32 HE2 GLU 32 -3.644 -14.155 -4.729 252 H LYS 33 HN LYS 33 -7.047 -11.529 -6.679 253 HA LYS 33 HA LYS 33 -8.166 -12.623 -8.839 254 HB2 LYS 33 HB2 LYS 33 -9.353 -11.401 -6.366 255 HB3 LYS 33 HB3 LYS 33 -10.417 -12.021 -7.613 256 HG2 LYS 33 HG2 LYS 33 -8.362 -13.985 -7.254 257 HG3 LYS 33 HG3 LYS 33 -8.864 -13.496 -5.648 258 HD2 LYS 33 HD2 LYS 33 -10.489 -15.096 -6.014 259 HD3 LYS 33 HD3 LYS 33 -11.321 -13.736 -6.741 260 HE2 LYS 33 HE2 LYS 33 -11.299 -14.743 -8.775 261 HE3 LYS 33 HE3 LYS 33 -9.553 -14.894 -8.726 262 HZ1 LYS 33 HZ1 LYS 33 -9.861 -17.084 -8.424 263 HZ2 LYS 33 HZ2 LYS 33 -10.562 -16.814 -6.980 264 H GLY 34 HN GLY 34 -8.020 -9.163 -8.073 265 HA2 GLY 34 HA1 GLY 34 -8.195 -8.106 -10.496 266 HA3 GLY 34 HA2 GLY 34 -9.882 -8.492 -10.216 267 HA PRO 35 HA PRO 35 -8.759 -4.222 -8.540 268 HB2 PRO 35 HB2 PRO 35 -11.270 -3.702 -10.154 269 HB3 PRO 35 HB3 PRO 35 -9.771 -2.733 -9.979 270 HG2 PRO 35 HG2 PRO 35 -9.793 -4.335 -12.443 271 HG3 PRO 35 HG3 PRO 35 -8.679 -3.995 -11.079 272 HD2 PRO 35 HD2 PRO 35 -10.751 -6.281 -11.190 273 HD3 PRO 35 HD3 PRO 35 -8.998 -6.483 -11.486 274 H GLY 36 HN GLY 36 -9.444 -4.018 -6.411 275 HA2 GLY 36 HA1 GLY 36 -11.640 -3.412 -5.279 276 HA3 GLY 36 HA2 GLY 36 -12.154 -5.007 -5.790 277 H LYS 37 HN LYS 37 -12.419 -5.171 -3.313 278 HA LYS 37 HA LYS 37 -10.465 -5.110 -1.480 279 HB2 LYS 37 HB2 LYS 37 -12.903 -6.765 -1.870 280 HB3 LYS 37 HB3 LYS 37 -11.760 -7.346 -0.676 281 HG2 LYS 37 HG2 LYS 37 -11.750 -4.813 0.139 282 HG3 LYS 37 HG3 LYS 37 -13.271 -4.722 -0.727 283 HD2 LYS 37 HD2 LYS 37 -14.130 -5.438 1.287 284 HD3 LYS 37 HD3 LYS 37 -13.729 -7.019 0.646 285 HE2 LYS 37 HE2 LYS 37 -11.342 -5.933 1.856 286 HE3 LYS 37 HE3 LYS 37 -12.660 -5.720 2.991 287 HZ1 LYS 37 HZ1 LYS 37 -11.316 -8.046 2.611 288 HZ2 LYS 37 HZ2 LYS 37 -12.777 -7.940 3.323 289 H ILE 38 HN ILE 38 -8.826 -6.509 -0.668 290 HA ILE 38 HA ILE 38 -7.955 -8.490 -2.656 291 HB ILE 38 HB ILE 38 -6.251 -6.870 -0.762 292 HG12 ILE 38 HG12 ILE 38 -6.499 -6.492 -3.753 293 HG13 ILE 38 HG13 ILE 38 -7.442 -5.567 -2.602 294 HG21 ILE 38 HG21 ILE 38 -5.642 -9.277 -1.842 295 HG22 ILE 38 HG22 ILE 38 -5.080 -8.190 -3.134 296 HG23 ILE 38 HG23 ILE 38 -4.446 -8.008 -1.481 297 HD11 ILE 38 HD11 ILE 38 -5.218 -4.952 -1.456 298 HD12 ILE 38 HD12 ILE 38 -4.412 -5.642 -2.885 299 HD13 ILE 38 HD13 ILE 38 -5.496 -4.242 -3.064 300 H GLU 39 HN GLU 39 -7.660 -10.579 -1.995 301 HA GLU 39 HA GLU 39 -8.431 -11.103 0.732 302 HB2 GLU 39 HB2 GLU 39 -9.317 -12.317 -1.412 303 HB3 GLU 39 HB3 GLU 39 -7.805 -13.201 -1.369 304 HG2 GLU 39 HG2 GLU 39 -8.437 -13.606 1.184 305 HG3 GLU 39 HG3 GLU 39 -10.060 -13.212 0.652 306 HE2 GLU 39 HE2 GLU 39 -7.478 -15.132 -0.826 307 H GLY 40 HN GLY 40 -6.950 -11.454 2.327 308 HA2 GLY 40 HA1 GLY 40 -5.076 -12.825 3.025 309 HA3 GLY 40 HA2 GLY 40 -4.281 -12.437 1.512 310 H PHE 41 HN PHE 41 -4.646 -9.700 1.211 311 HA PHE 41 HA PHE 41 -2.698 -8.675 2.905 312 HB2 PHE 41 HB2 PHE 41 -3.409 -7.865 0.598 313 HB3 PHE 41 HB3 PHE 41 -4.930 -7.318 1.275 314 HD1 PHE 41 HD1 PHE 41 -4.835 -5.505 3.088 315 HD2 PHE 41 HD2 PHE 41 -1.547 -6.448 0.577 316 HE1 PHE 41 HE1 PHE 41 -3.809 -3.271 3.593 317 HE2 PHE 41 HE2 PHE 41 -0.520 -4.214 1.083 318 HZ PHE 41 HZ PHE 41 -1.663 -2.652 2.585 319 H GLY 42 HN GLY 42 -2.777 -7.156 4.643 320 HA2 GLY 42 HA1 GLY 42 -5.149 -6.080 5.694 321 HA3 GLY 42 HA2 GLY 42 -4.807 -7.582 6.530 322 H LYS 43 HN LYS 43 -1.861 -7.426 6.254 323 HA LYS 43 HA LYS 43 -1.036 -4.956 7.411 324 HB2 LYS 43 HB2 LYS 43 -2.184 -6.024 9.346 325 HB3 LYS 43 HB3 LYS 43 -1.089 -7.386 9.226 326 HG2 LYS 43 HG2 LYS 43 0.378 -4.838 9.236 327 HG3 LYS 43 HG3 LYS 43 -0.647 -4.986 10.650 328 HD2 LYS 43 HD2 LYS 43 1.040 -7.358 9.827 329 HD3 LYS 43 HD3 LYS 43 1.821 -6.011 10.630 330 HE2 LYS 43 HE2 LYS 43 0.940 -6.577 12.655 331 HE3 LYS 43 HE3 LYS 43 -0.676 -6.735 11.995 332 HZ1 LYS 43 HZ1 LYS 43 1.437 -8.817 11.804 333 HZ2 LYS 43 HZ2 LYS 43 0.156 -8.870 12.807 334 H GLU 44 HN GLU 44 0.175 -8.288 8.072 335 HA GLU 44 HA GLU 44 2.726 -7.895 7.577 336 HB2 GLU 44 HB2 GLU 44 2.659 -10.111 7.994 337 HB3 GLU 44 HB3 GLU 44 0.954 -10.166 7.593 338 HG2 GLU 44 HG2 GLU 44 1.439 -10.524 5.229 339 HG3 GLU 44 HG3 GLU 44 3.145 -10.203 5.470 340 HE2 GLU 44 HE2 GLU 44 2.452 -12.525 4.398 341 H MET 45 HN MET 45 0.299 -8.715 5.002 342 HA MET 45 HA MET 45 1.911 -8.860 2.871 343 HB2 MET 45 HB2 MET 45 -0.880 -7.762 3.331 344 HB3 MET 45 HB3 MET 45 -0.184 -7.576 1.734 345 HG2 MET 45 HG2 MET 45 -1.283 -9.656 1.554 346 HG3 MET 45 HG3 MET 45 0.364 -10.143 1.904 347 HE1 MET 45 HE1 MET 45 -1.233 -12.839 3.798 348 HE2 MET 45 HE2 MET 45 -0.357 -12.239 2.370 349 HE3 MET 45 HE3 MET 45 0.453 -12.291 3.954 350 H ALA 46 HN ALA 46 0.665 -5.843 4.423 351 HA ALA 46 HA ALA 46 1.741 -4.095 2.501 352 HB1 ALA 46 HB1 ALA 46 -0.088 -3.640 4.203 353 HB2 ALA 46 HB2 ALA 46 1.189 -3.535 5.438 354 HB3 ALA 46 HB3 ALA 46 1.163 -2.380 4.084 355 H HIS 47 HN HIS 47 2.880 -4.943 5.854 356 HA HIS 47 HA HIS 47 5.258 -3.579 5.700 357 HB2 HIS 47 HB2 HIS 47 4.608 -6.123 7.215 358 HB3 HIS 47 HB3 HIS 47 6.005 -5.107 7.513 359 HD1 HIS 47 HD1 HIS 47 3.220 -5.765 9.284 360 HD2 HIS 47 HD2 HIS 47 4.532 -2.159 7.590 361 HE1 HIS 47 HE1 HIS 47 2.068 -3.900 10.590 362 H GLY 48 HN GLY 48 4.224 -6.435 4.010 363 HA2 GLY 48 HA1 GLY 48 6.994 -6.832 3.056 364 HA3 GLY 48 HA2 GLY 48 5.952 -8.181 3.462 365 H LYS 49 HN LYS 49 5.577 -9.135 1.471 366 HA LYS 49 HA LYS 49 5.318 -7.756 -0.919 367 HB2 LYS 49 HB2 LYS 49 4.460 -9.857 -1.808 368 HB3 LYS 49 HB3 LYS 49 5.840 -10.137 -0.766 369 HG2 LYS 49 HG2 LYS 49 3.996 -10.435 1.129 370 HG3 LYS 49 HG3 LYS 49 2.915 -10.705 -0.224 371 HD2 LYS 49 HD2 LYS 49 5.004 -12.323 -0.963 372 HD3 LYS 49 HD3 LYS 49 5.165 -12.405 0.780 373 HE2 LYS 49 HE2 LYS 49 2.661 -12.960 0.888 374 HE3 LYS 49 HE3 LYS 49 2.683 -13.091 -0.860 375 HZ1 LYS 49 HZ1 LYS 49 4.251 -14.747 1.039 376 HZ2 LYS 49 HZ2 LYS 49 3.065 -15.260 0.048 377 H GLY 50 HN GLY 50 3.985 -5.900 -0.549 378 HA2 GLY 50 HA1 GLY 50 1.311 -6.206 -1.278 379 HA3 GLY 50 HA2 GLY 50 1.358 -6.067 0.468 380 H CYS 51 HN CYS 51 3.613 -4.331 0.799 381 HA CYS 51 HA CYS 51 2.937 -1.992 -0.786 382 HB2 CYS 51 HB2 CYS 51 2.987 -1.897 2.235 383 HB3 CYS 51 HB3 CYS 51 2.684 -0.562 1.140 384 H LYS 52 HN LYS 52 4.867 -3.224 2.051 385 HA LYS 52 HA LYS 52 7.075 -1.556 1.467 386 HB2 LYS 52 HB2 LYS 52 6.233 -3.331 3.546 387 HB3 LYS 52 HB3 LYS 52 7.845 -3.808 3.051 388 HG2 LYS 52 HG2 LYS 52 8.071 -1.039 3.090 389 HG3 LYS 52 HG3 LYS 52 6.942 -1.318 4.401 390 HD2 LYS 52 HD2 LYS 52 9.041 -1.477 5.476 391 HD3 LYS 52 HD3 LYS 52 8.613 -3.155 5.209 392 HE2 LYS 52 HE2 LYS 52 9.976 -2.179 2.846 393 HE3 LYS 52 HE3 LYS 52 10.930 -1.744 4.251 394 HZ1 LYS 52 HZ1 LYS 52 9.867 -4.488 3.950 395 HZ2 LYS 52 HZ2 LYS 52 11.283 -4.063 3.267 396 H GLY 53 HN GLY 53 6.403 -5.086 0.971 397 HA2 GLY 53 HA1 GLY 53 8.670 -6.024 -0.075 398 HA3 GLY 53 HA2 GLY 53 7.095 -6.416 -0.738 399 H CYS 54 HN CYS 54 6.277 -3.977 -1.885 400 HA CYS 54 HA CYS 54 7.867 -4.010 -4.236 401 HB2 CYS 54 HB2 CYS 54 5.375 -3.752 -4.216 402 HB3 CYS 54 HB3 CYS 54 5.573 -2.154 -3.525 403 H HIS 55 HN HIS 55 7.283 -1.797 -1.448 404 HA HIS 55 HA HIS 55 8.691 0.381 -2.428 405 HB2 HIS 55 HB2 HIS 55 8.179 -0.559 0.405 406 HB3 HIS 55 HB3 HIS 55 8.892 0.993 0.010 407 HD1 HIS 55 HD1 HIS 55 6.173 0.791 1.510 408 HD2 HIS 55 HD2 HIS 55 6.565 1.243 -2.642 409 HE1 HIS 55 HE1 HIS 55 3.984 1.817 0.693 410 H GLU 56 HN GLU 56 9.758 -2.483 -0.500 411 HA GLU 56 HA GLU 56 12.433 -1.523 -0.440 412 HB2 GLU 56 HB2 GLU 56 12.811 -3.958 0.451 413 HB3 GLU 56 HB3 GLU 56 11.911 -2.823 1.438 414 HG2 GLU 56 HG2 GLU 56 9.920 -3.950 1.170 415 HG3 GLU 56 HG3 GLU 56 10.242 -4.339 -0.508 416 HE2 GLU 56 HE2 GLU 56 9.518 -5.877 1.914 417 H GLU 57 HN GLU 57 10.439 -3.565 -2.526 418 HA GLU 57 HA GLU 57 12.646 -4.838 -3.762 419 HB2 GLU 57 HB2 GLU 57 10.541 -5.999 -3.775 420 HB3 GLU 57 HB3 GLU 57 9.689 -4.616 -4.431 421 HG2 GLU 57 HG2 GLU 57 10.014 -6.178 -6.252 422 HG3 GLU 57 HG3 GLU 57 11.085 -4.821 -6.540 423 HE2 GLU 57 HE2 GLU 57 13.579 -6.444 -7.051 424 H MET 58 HN MET 58 10.727 -1.879 -4.275 425 HA MET 58 HA MET 58 12.083 -1.454 -6.799 426 HB2 MET 58 HB2 MET 58 9.835 0.047 -5.346 427 HB3 MET 58 HB3 MET 58 10.473 0.542 -6.901 428 HG2 MET 58 HG2 MET 58 9.937 -1.978 -7.597 429 HG3 MET 58 HG3 MET 58 8.857 -1.927 -6.218 430 HE1 MET 58 HE1 MET 58 8.261 -0.308 -10.309 431 HE2 MET 58 HE2 MET 58 9.634 -1.212 -9.627 432 HE3 MET 58 HE3 MET 58 8.028 -1.974 -9.730 433 H LYS 59 HN LYS 59 11.642 0.009 -3.527 434 HA LYS 59 HA LYS 59 13.045 1.264 -2.342 435 HB2 LYS 59 HB2 LYS 59 14.788 0.204 -4.297 436 HB3 LYS 59 HB3 LYS 59 15.124 1.923 -4.240 437 HG2 LYS 59 HG2 LYS 59 15.187 -0.057 -1.926 438 HG3 LYS 59 HG3 LYS 59 16.524 0.875 -2.568 439 HD2 LYS 59 HD2 LYS 59 14.446 2.734 -1.835 440 HD3 LYS 59 HD3 LYS 59 14.651 1.620 -0.498 441 HE2 LYS 59 HE2 LYS 59 16.980 3.060 -1.852 442 HE3 LYS 59 HE3 LYS 59 16.163 3.676 -0.429 443 HZ1 LYS 59 HZ1 LYS 59 16.949 0.930 -0.126 444 HZ2 LYS 59 HZ2 LYS 59 18.230 1.898 -0.401 445 H LYS 60 HN LYS 60 10.796 2.325 -3.440 446 HA LYS 60 HA LYS 60 11.719 5.016 -4.125 447 HB2 LYS 60 HB2 LYS 60 9.969 3.236 -5.736 448 HB3 LYS 60 HB3 LYS 60 9.428 4.893 -5.564 449 HG2 LYS 60 HG2 LYS 60 12.278 4.178 -6.383 450 HG3 LYS 60 HG3 LYS 60 10.991 4.405 -7.552 451 HD2 LYS 60 HD2 LYS 60 10.773 6.709 -7.079 452 HD3 LYS 60 HD3 LYS 60 11.460 6.553 -5.475 453 HE2 LYS 60 HE2 LYS 60 13.516 5.680 -7.223 454 HE3 LYS 60 HE3 LYS 60 12.814 7.072 -8.024 455 HZ1 LYS 60 HZ1 LYS 60 13.543 7.171 -5.156 456 HZ2 LYS 60 HZ2 LYS 60 14.628 7.529 -6.317 457 H GLY 61 HN GLY 61 9.050 2.857 -3.001 458 HA2 GLY 61 HA1 GLY 61 7.561 5.009 -1.836 459 HA3 GLY 61 HA2 GLY 61 7.281 3.288 -1.654 460 HA PRO 62 HA PRO 62 9.023 4.989 2.324 461 HB2 PRO 62 HB2 PRO 62 6.891 4.500 3.926 462 HB3 PRO 62 HB3 PRO 62 6.920 5.917 2.826 463 HG2 PRO 62 HG2 PRO 62 5.214 3.242 2.036 464 HG3 PRO 62 HG3 PRO 62 5.205 5.011 2.333 465 HD2 PRO 62 HD2 PRO 62 5.997 3.591 -0.073 466 HD3 PRO 62 HD3 PRO 62 6.135 5.347 0.243 467 H THR 63 HN THR 63 10.135 3.620 3.784 468 HA THR 63 HA THR 63 9.189 0.863 3.983 469 HB THR 63 HB THR 63 11.781 0.314 3.643 470 HG1 THR 63 HG1 THR 63 12.777 2.192 3.030 471 HG21 THR 63 HG21 THR 63 11.260 -0.409 1.506 472 HG22 THR 63 HG22 THR 63 9.604 0.054 1.968 473 HG23 THR 63 HG23 THR 63 10.614 1.179 1.028 474 H LYS 64 HN LYS 64 9.071 3.192 5.771 475 HA LYS 64 HA LYS 64 10.580 1.971 7.951 476 HB2 LYS 64 HB2 LYS 64 11.177 4.532 6.754 477 HB3 LYS 64 HB3 LYS 64 10.648 4.760 8.409 478 HG2 LYS 64 HG2 LYS 64 12.781 2.738 7.575 479 HG3 LYS 64 HG3 LYS 64 13.144 4.354 8.146 480 HD2 LYS 64 HD2 LYS 64 11.539 2.306 9.746 481 HD3 LYS 64 HD3 LYS 64 13.261 2.565 9.942 482 HE2 LYS 64 HE2 LYS 64 12.824 4.970 10.520 483 HE3 LYS 64 HE3 LYS 64 11.102 4.691 10.349 484 HZ1 LYS 64 HZ1 LYS 64 11.643 4.445 12.648 485 HZ2 LYS 64 HZ2 LYS 64 11.369 2.931 12.114 486 H CYS 65 HN CYS 65 9.630 2.375 10.068 487 HA CYS 65 HA CYS 65 6.873 2.209 10.029 488 HB2 CYS 65 HB2 CYS 65 8.362 3.175 12.449 489 HB3 CYS 65 HB3 CYS 65 6.961 2.128 12.354 490 H GLY 66 HN GLY 66 9.148 4.961 10.363 491 HA2 GLY 66 HA1 GLY 66 6.966 6.832 10.882 492 HA3 GLY 66 HA2 GLY 66 8.686 7.166 10.891 493 H GLU 67 HN GLU 67 7.510 5.236 8.209 494 HA GLU 67 HA GLU 67 7.576 7.640 6.556 495 HB2 GLU 67 HB2 GLU 67 9.001 5.041 6.298 496 HB3 GLU 67 HB3 GLU 67 8.266 5.616 4.815 497 HG2 GLU 67 HG2 GLU 67 9.408 7.839 5.138 498 HG3 GLU 67 HG3 GLU 67 10.179 7.214 6.583 499 HE2 GLU 67 HE2 GLU 67 12.759 6.278 4.460 500 H CYS 68 HN CYS 68 5.549 5.445 7.903 501 HA CYS 68 HA CYS 68 3.770 5.563 5.592 502 HB2 CYS 68 HB2 CYS 68 4.841 3.141 6.818 503 HB3 CYS 68 HB3 CYS 68 3.091 3.176 6.885 504 H HIS 69 HN HIS 69 3.923 4.432 9.058 505 HA HIS 69 HA HIS 69 1.297 5.341 9.573 506 HB2 HIS 69 HB2 HIS 69 3.523 4.482 11.442 507 HB3 HIS 69 HB3 HIS 69 1.867 4.777 11.932 508 HD1 HIS 69 HD1 HIS 69 0.014 3.178 10.617 509 HD2 HIS 69 HD2 HIS 69 4.009 1.902 10.658 510 HE1 HIS 69 HE1 HIS 69 -0.025 0.688 10.063 511 H LYS 70 HN LYS 70 0.776 7.474 9.546 512 HA LYS 70 HA LYS 70 2.271 9.223 11.288 513 HB2 LYS 70 HB2 LYS 70 3.582 9.524 9.313 514 HB3 LYS 70 HB3 LYS 70 2.162 9.647 8.295 515 HG2 LYS 70 HG2 LYS 70 1.562 11.675 9.952 516 HG3 LYS 70 HG3 LYS 70 3.293 11.671 10.228 517 HD2 LYS 70 HD2 LYS 70 2.313 11.572 7.374 518 HD3 LYS 70 HD3 LYS 70 2.195 13.095 8.233 519 HE2 LYS 70 HE2 LYS 70 4.798 11.524 8.232 520 HE3 LYS 70 HE3 LYS 70 4.390 12.571 6.887 521 HZ1 LYS 70 HZ1 LYS 70 5.686 13.691 8.679 522 HZ2 LYS 70 HZ2 LYS 70 4.272 14.441 8.382 523 H LYS 71 HN LYS 71 0.662 9.959 12.565 524 HA LYS 71 HA LYS 71 -2.022 9.918 11.820 525 HB2 LYS 71 HB2 LYS 71 -1.657 9.845 14.102 526 HB3 LYS 71 HB3 LYS 71 -0.434 11.100 14.069 527 HG2 LYS 71 HG2 LYS 71 -1.974 12.788 14.254 528 HG3 LYS 71 HG3 LYS 71 -3.079 12.038 13.119 529 HD2 LYS 71 HD2 LYS 71 -4.378 11.376 14.852 530 HD3 LYS 71 HD3 LYS 71 -3.076 10.347 15.415 531 HE2 LYS 71 HE2 LYS 71 -2.285 12.924 16.235 532 HE3 LYS 71 HE3 LYS 71 -4.018 12.922 16.495 533 HZ1 LYS 71 HZ1 LYS 71 -1.985 11.284 17.797 534 HZ2 LYS 71 HZ2 LYS 71 -3.352 11.911 18.421 Start of MODEL 3 1 H1 ALA 1 HN ALA 1 -12.996 10.195 -4.677 2 HA ALA 1 HA ALA 1 -10.822 11.358 -4.491 3 HB1 ALA 1 HB1 ALA 1 -11.523 12.324 -2.241 4 HB2 ALA 1 HB2 ALA 1 -11.165 10.728 -1.537 5 HB3 ALA 1 HB3 ALA 1 -9.869 11.670 -2.312 6 H ASP 2 HN ASP 2 -8.908 10.035 -4.540 7 HA ASP 2 HA ASP 2 -9.588 7.264 -4.687 8 HB2 ASP 2 HB2 ASP 2 -7.817 8.950 -6.034 9 HB3 ASP 2 HB3 ASP 2 -6.739 8.034 -5.000 10 HD2 ASP 2 HD2 ASP 2 -7.846 7.718 -8.156 11 H ASP 3 HN ASP 3 -7.685 9.553 -2.691 12 HA ASP 3 HA ASP 3 -5.956 8.084 -1.371 13 HB2 ASP 3 HB2 ASP 3 -6.264 10.375 -0.737 14 HB3 ASP 3 HB3 ASP 3 -7.950 10.125 -0.331 15 HD2 ASP 3 HD2 ASP 3 -7.320 11.158 1.621 16 H ILE 4 HN ILE 4 -6.116 6.037 -0.444 17 HA ILE 4 HA ILE 4 -8.685 5.340 0.797 18 HB ILE 4 HB ILE 4 -6.742 3.847 -0.873 19 HG12 ILE 4 HG12 ILE 4 -9.753 3.796 -0.527 20 HG13 ILE 4 HG13 ILE 4 -8.858 4.582 -1.812 21 HG21 ILE 4 HG21 ILE 4 -7.915 2.775 1.639 22 HG22 ILE 4 HG22 ILE 4 -7.991 1.734 0.197 23 HG23 ILE 4 HG23 ILE 4 -6.419 2.332 0.781 24 HD11 ILE 4 HD11 ILE 4 -7.830 2.156 -2.189 25 HD12 ILE 4 HD12 ILE 4 -9.302 1.636 -1.332 26 HD13 ILE 4 HD13 ILE 4 -9.434 2.566 -2.844 27 H VAL 5 HN VAL 5 -8.436 5.995 2.911 28 HA VAL 5 HA VAL 5 -5.933 5.588 4.249 29 HB VAL 5 HB VAL 5 -8.587 6.343 5.465 30 HG11 VAL 5 HG11 VAL 5 -7.120 6.115 7.225 31 HG12 VAL 5 HG12 VAL 5 -5.702 6.570 6.250 32 HG13 VAL 5 HG13 VAL 5 -6.844 7.821 6.798 33 HG21 VAL 5 HG21 VAL 5 -6.676 8.052 3.855 34 HG22 VAL 5 HG22 VAL 5 -8.428 7.833 3.630 35 HG23 VAL 5 HG23 VAL 5 -7.817 8.738 5.036 36 H LEU 6 HN LEU 6 -5.296 3.805 5.358 37 HA LEU 6 HA LEU 6 -7.219 1.640 5.560 38 HB2 LEU 6 HB2 LEU 6 -4.227 1.807 5.910 39 HB3 LEU 6 HB3 LEU 6 -5.154 0.360 6.254 40 HG LEU 6 HG LEU 6 -5.214 1.708 3.549 41 HD11 LEU 6 HD11 LEU 6 -3.380 0.558 2.797 42 HD12 LEU 6 HD12 LEU 6 -2.882 0.902 4.471 43 HD13 LEU 6 HD13 LEU 6 -3.516 -0.705 4.043 44 HD21 LEU 6 HD21 LEU 6 -5.576 -1.181 3.665 45 HD22 LEU 6 HD22 LEU 6 -6.781 -0.305 4.640 46 HD23 LEU 6 HD23 LEU 6 -6.587 0.076 2.912 47 H LYS 7 HN LYS 7 -6.948 0.256 7.690 48 HA LYS 7 HA LYS 7 -7.394 2.152 9.858 49 HB2 LYS 7 HB2 LYS 7 -8.412 0.171 10.991 50 HB3 LYS 7 HB3 LYS 7 -9.209 0.646 9.505 51 HG2 LYS 7 HG2 LYS 7 -8.549 -1.260 8.367 52 HG3 LYS 7 HG3 LYS 7 -7.007 -1.356 9.195 53 HD2 LYS 7 HD2 LYS 7 -9.590 -1.895 10.701 54 HD3 LYS 7 HD3 LYS 7 -8.858 -3.153 9.724 55 HE2 LYS 7 HE2 LYS 7 -6.748 -2.977 11.011 56 HE3 LYS 7 HE3 LYS 7 -7.391 -1.633 11.934 57 HZ1 LYS 7 HZ1 LYS 7 -9.086 -3.112 12.839 58 HZ2 LYS 7 HZ2 LYS 7 -8.572 -4.360 11.929 59 H ALA 8 HN ALA 8 -5.840 2.552 11.332 60 HA ALA 8 HA ALA 8 -4.219 0.474 12.364 61 HB1 ALA 8 HB1 ALA 8 -2.137 0.936 11.408 62 HB2 ALA 8 HB2 ALA 8 -3.230 1.095 10.012 63 HB3 ALA 8 HB3 ALA 8 -2.637 2.550 10.849 64 H LYS 9 HN LYS 9 -4.502 1.087 14.460 65 HA LYS 9 HA LYS 9 -4.843 3.801 15.183 66 HB2 LYS 9 HB2 LYS 9 -4.775 1.162 16.541 67 HB3 LYS 9 HB3 LYS 9 -4.349 2.542 17.533 68 HG2 LYS 9 HG2 LYS 9 -6.804 2.670 15.757 69 HG3 LYS 9 HG3 LYS 9 -6.887 1.830 17.292 70 HD2 LYS 9 HD2 LYS 9 -5.818 4.675 17.079 71 HD3 LYS 9 HD3 LYS 9 -7.528 4.345 17.277 72 HE2 LYS 9 HE2 LYS 9 -7.038 4.415 19.517 73 HE3 LYS 9 HE3 LYS 9 -6.523 2.758 19.271 74 HZ1 LYS 9 HZ1 LYS 9 -4.836 5.167 19.455 75 HZ2 LYS 9 HZ2 LYS 9 -4.667 3.750 20.240 76 H ASN 10 HN ASN 10 -2.109 2.026 14.244 77 HA ASN 10 HA ASN 10 -0.325 3.306 16.074 78 HB2 ASN 10 HB2 ASN 10 0.184 1.613 13.571 79 HB3 ASN 10 HB3 ASN 10 1.445 2.158 14.660 80 HD21 ASN 10 HD21 ASN 10 2.002 0.896 16.265 81 HD22 ASN 10 HD22 ASN 10 1.091 -0.422 16.925 82 H GLY 11 HN GLY 11 -2.099 4.316 13.434 83 HA2 GLY 11 HA1 GLY 11 -1.554 6.672 12.837 84 HA3 GLY 11 HA2 GLY 11 0.043 6.087 12.417 85 H ASP 12 HN ASP 12 -3.091 6.745 11.244 86 HA ASP 12 HA ASP 12 -3.725 4.875 9.480 87 HB2 ASP 12 HB2 ASP 12 -3.979 7.802 9.632 88 HB3 ASP 12 HB3 ASP 12 -3.941 7.255 7.968 89 HD2 ASP 12 HD2 ASP 12 -5.723 5.099 10.240 90 H VAL 13 HN VAL 13 -3.173 4.433 7.191 91 HA VAL 13 HA VAL 13 -0.519 5.458 6.448 92 HB VAL 13 HB VAL 13 -1.717 2.736 5.894 93 HG11 VAL 13 HG11 VAL 13 0.043 2.265 4.558 94 HG12 VAL 13 HG12 VAL 13 0.146 4.033 4.385 95 HG13 VAL 13 HG13 VAL 13 1.187 3.191 5.558 96 HG21 VAL 13 HG21 VAL 13 -1.179 2.923 8.248 97 HG22 VAL 13 HG22 VAL 13 0.041 1.903 7.449 98 HG23 VAL 13 HG23 VAL 13 0.426 3.590 7.868 99 H LYS 14 HN LYS 14 -1.479 7.236 5.298 100 HA LYS 14 HA LYS 14 -3.534 6.928 3.446 101 HB2 LYS 14 HB2 LYS 14 -3.057 9.098 4.238 102 HB3 LYS 14 HB3 LYS 14 -1.356 8.979 3.836 103 HG2 LYS 14 HG2 LYS 14 -2.635 8.517 1.376 104 HG3 LYS 14 HG3 LYS 14 -3.634 9.748 2.125 105 HD2 LYS 14 HD2 LYS 14 -0.904 10.493 2.610 106 HD3 LYS 14 HD3 LYS 14 -1.008 10.031 0.922 107 HE2 LYS 14 HE2 LYS 14 -2.477 11.758 0.384 108 HE3 LYS 14 HE3 LYS 14 -3.220 11.773 1.971 109 HZ1 LYS 14 HZ1 LYS 14 -1.784 13.359 2.620 110 HZ2 LYS 14 HZ2 LYS 14 -0.475 12.512 2.148 111 H LEU 15 HN LEU 15 -3.586 5.688 1.658 112 HA LEU 15 HA LEU 15 -1.028 5.238 0.292 113 HB2 LEU 15 HB2 LEU 15 -1.738 3.162 0.959 114 HB3 LEU 15 HB3 LEU 15 -3.437 3.549 0.775 115 HG LEU 15 HG LEU 15 -2.711 3.687 -1.810 116 HD11 LEU 15 HD11 LEU 15 -1.069 1.321 -1.112 117 HD12 LEU 15 HD12 LEU 15 -0.901 2.494 -2.440 118 HD13 LEU 15 HD13 LEU 15 -0.332 2.912 -0.806 119 HD21 LEU 15 HD21 LEU 15 -4.252 2.031 -0.250 120 HD22 LEU 15 HD22 LEU 15 -4.113 1.960 -2.023 121 HD23 LEU 15 HD23 LEU 15 -3.110 0.896 -1.008 122 HA PRO 16 HA PRO 16 -2.809 8.182 -2.572 123 HB2 PRO 16 HB2 PRO 16 -0.182 7.598 -3.911 124 HB3 PRO 16 HB3 PRO 16 -0.908 9.153 -3.390 125 HG2 PRO 16 HG2 PRO 16 1.191 8.061 -1.947 126 HG3 PRO 16 HG3 PRO 16 -0.239 9.001 -1.412 127 HD2 PRO 16 HD2 PRO 16 0.229 5.969 -1.407 128 HD3 PRO 16 HD3 PRO 16 -0.363 7.008 -0.076 129 H HIS 17 HN HIS 17 -4.201 5.961 -2.886 130 HA HIS 17 HA HIS 17 -3.564 4.040 -4.633 131 HB2 HIS 17 HB2 HIS 17 -5.720 4.388 -3.362 132 HB3 HIS 17 HB3 HIS 17 -6.232 5.472 -4.640 133 HD1 HIS 17 HD1 HIS 17 -7.427 4.418 -6.579 134 HD2 HIS 17 HD2 HIS 17 -5.167 1.637 -4.397 135 HE1 HIS 17 HE1 HIS 17 -7.956 2.128 -7.574 136 H LYS 18 HN LYS 18 -4.973 7.261 -5.562 137 HA LYS 18 HA LYS 18 -4.983 6.929 -8.262 138 HB2 LYS 18 HB2 LYS 18 -5.966 8.846 -7.158 139 HB3 LYS 18 HB3 LYS 18 -4.395 9.410 -6.625 140 HG2 LYS 18 HG2 LYS 18 -3.834 9.306 -9.247 141 HG3 LYS 18 HG3 LYS 18 -5.575 9.425 -9.405 142 HD2 LYS 18 HD2 LYS 18 -4.845 11.687 -9.425 143 HD3 LYS 18 HD3 LYS 18 -5.435 11.451 -7.792 144 HE2 LYS 18 HE2 LYS 18 -3.407 12.148 -7.043 145 HE3 LYS 18 HE3 LYS 18 -2.734 10.649 -7.653 146 HZ1 LYS 18 HZ1 LYS 18 -2.199 11.707 -9.713 147 HZ2 LYS 18 HZ2 LYS 18 -3.066 13.043 -9.373 148 H ALA 19 HN ALA 19 -2.290 8.561 -6.439 149 HA ALA 19 HA ALA 19 -0.514 8.670 -8.513 150 HB1 ALA 19 HB1 ALA 19 0.563 8.018 -5.805 151 HB2 ALA 19 HB2 ALA 19 0.962 9.362 -6.902 152 HB3 ALA 19 HB3 ALA 19 -0.520 9.427 -5.918 153 H HIS 20 HN HIS 20 -1.102 5.975 -6.173 154 HA HIS 20 HA HIS 20 0.945 4.351 -7.162 155 HB2 HIS 20 HB2 HIS 20 -1.477 3.973 -5.449 156 HB3 HIS 20 HB3 HIS 20 -0.699 2.543 -6.098 157 HD1 HIS 20 HD1 HIS 20 -0.061 5.466 -3.774 158 HD2 HIS 20 HD2 HIS 20 1.753 1.863 -4.926 159 HE1 HIS 20 HE1 HIS 20 1.857 5.076 -2.137 160 H GLN 21 HN GLN 21 -2.266 5.159 -8.341 161 HA GLN 21 HA GLN 21 -2.446 2.831 -9.974 162 HB2 GLN 21 HB2 GLN 21 -4.102 5.299 -9.505 163 HB3 GLN 21 HB3 GLN 21 -4.358 4.425 -11.003 164 HG2 GLN 21 HG2 GLN 21 -4.642 2.296 -9.634 165 HG3 GLN 21 HG3 GLN 21 -4.550 3.272 -8.181 166 HE21 GLN 21 HE21 GLN 21 -6.066 5.116 -8.026 167 HE22 GLN 21 HE22 GLN 21 -7.684 4.919 -8.612 168 H LYS 22 HN LYS 22 -0.661 5.723 -10.095 169 HA LYS 22 HA LYS 22 -0.638 5.707 -13.026 170 HB2 LYS 22 HB2 LYS 22 -1.186 7.828 -11.653 171 HB3 LYS 22 HB3 LYS 22 0.522 7.865 -11.265 172 HG2 LYS 22 HG2 LYS 22 0.551 9.138 -13.208 173 HG3 LYS 22 HG3 LYS 22 0.814 7.552 -13.904 174 HD2 LYS 22 HD2 LYS 22 -1.589 7.325 -14.418 175 HD3 LYS 22 HD3 LYS 22 -1.942 8.833 -13.598 176 HE2 LYS 22 HE2 LYS 22 -1.102 10.140 -15.325 177 HE3 LYS 22 HE3 LYS 22 0.133 8.975 -15.757 178 HZ1 LYS 22 HZ1 LYS 22 -1.436 7.692 -16.946 179 HZ2 LYS 22 HZ2 LYS 22 -2.728 8.408 -16.261 180 H ALA 23 HN ALA 23 1.320 5.377 -10.049 181 HA ALA 23 HA ALA 23 3.790 5.211 -11.450 182 HB1 ALA 23 HB1 ALA 23 4.677 4.592 -9.259 183 HB2 ALA 23 HB2 ALA 23 3.532 5.943 -9.078 184 HB3 ALA 23 HB3 ALA 23 3.033 4.289 -8.649 185 H VAL 24 HN VAL 24 1.170 2.990 -10.587 186 HA VAL 24 HA VAL 24 2.744 0.836 -11.816 187 HB VAL 24 HB VAL 24 0.924 0.734 -9.406 188 HG11 VAL 24 HG11 VAL 24 0.843 -1.569 -9.482 189 HG12 VAL 24 HG12 VAL 24 0.780 -1.181 -11.218 190 HG13 VAL 24 HG13 VAL 24 2.313 -1.700 -10.477 191 HG21 VAL 24 HG21 VAL 24 3.876 0.507 -9.852 192 HG22 VAL 24 HG22 VAL 24 2.974 1.293 -8.535 193 HG23 VAL 24 HG23 VAL 24 3.132 -0.479 -8.572 194 HA PRO 25 HA PRO 25 -0.947 1.925 -14.375 195 HB2 PRO 25 HB2 PRO 25 0.948 0.655 -16.353 196 HB3 PRO 25 HB3 PRO 25 -0.020 2.161 -16.462 197 HG2 PRO 25 HG2 PRO 25 2.691 2.306 -16.009 198 HG3 PRO 25 HG3 PRO 25 1.366 3.336 -15.377 199 HD2 PRO 25 HD2 PRO 25 2.870 1.026 -14.044 200 HD3 PRO 25 HD3 PRO 25 2.450 2.629 -13.368 201 H ASP 26 HN ASP 26 0.872 -0.973 -13.503 202 HA ASP 26 HA ASP 26 -1.038 -2.639 -14.871 203 HB2 ASP 26 HB2 ASP 26 0.778 -4.030 -13.044 204 HB3 ASP 26 HB3 ASP 26 0.592 -4.226 -14.775 205 HD2 ASP 26 HD2 ASP 26 2.627 -1.518 -15.462 206 H CYS 27 HN CYS 27 -2.996 -2.292 -13.641 207 HA CYS 27 HA CYS 27 -2.932 -2.369 -10.799 208 HB2 CYS 27 HB2 CYS 27 -5.460 -2.739 -12.347 209 HB3 CYS 27 HB3 CYS 27 -5.174 -1.856 -10.861 210 H LYS 28 HN LYS 28 -1.613 -4.573 -11.130 211 HA LYS 28 HA LYS 28 -3.572 -6.693 -10.731 212 HB2 LYS 28 HB2 LYS 28 -2.302 -8.233 -12.170 213 HB3 LYS 28 HB3 LYS 28 -3.005 -6.906 -13.072 214 HG2 LYS 28 HG2 LYS 28 -0.837 -5.717 -13.094 215 HG3 LYS 28 HG3 LYS 28 -0.117 -6.948 -12.077 216 HD2 LYS 28 HD2 LYS 28 0.563 -7.809 -14.103 217 HD3 LYS 28 HD3 LYS 28 -1.021 -8.559 -14.063 218 HE2 LYS 28 HE2 LYS 28 -1.976 -6.734 -15.421 219 HE3 LYS 28 HE3 LYS 28 -0.465 -5.849 -15.360 220 HZ1 LYS 28 HZ1 LYS 28 -0.790 -7.196 -17.427 221 HZ2 LYS 28 HZ2 LYS 28 0.595 -7.559 -16.650 222 H LYS 29 HN LYS 29 -0.116 -5.629 -10.652 223 HA LYS 29 HA LYS 29 0.800 -7.586 -8.930 224 HB2 LYS 29 HB2 LYS 29 2.385 -6.266 -10.064 225 HB3 LYS 29 HB3 LYS 29 1.670 -4.761 -9.523 226 HG2 LYS 29 HG2 LYS 29 3.628 -5.062 -8.171 227 HG3 LYS 29 HG3 LYS 29 2.275 -5.446 -7.126 228 HD2 LYS 29 HD2 LYS 29 2.917 -7.626 -6.902 229 HD3 LYS 29 HD3 LYS 29 3.213 -7.809 -8.619 230 HE2 LYS 29 HE2 LYS 29 5.432 -7.831 -8.119 231 HE3 LYS 29 HE3 LYS 29 5.291 -6.112 -7.809 232 HZ1 LYS 29 HZ1 LYS 29 4.773 -8.166 -5.729 233 HZ2 LYS 29 HZ2 LYS 29 6.210 -7.422 -5.909 234 H CYS 30 HN CYS 30 -1.456 -5.005 -8.389 235 HA CYS 30 HA CYS 30 -1.060 -5.280 -5.503 236 HB2 CYS 30 HB2 CYS 30 -1.666 -2.994 -7.211 237 HB3 CYS 30 HB3 CYS 30 -2.853 -3.174 -5.935 238 H HIS 31 HN HIS 31 -3.287 -5.551 -8.288 239 HA HIS 31 HA HIS 31 -5.316 -6.614 -6.463 240 HB2 HIS 31 HB2 HIS 31 -5.545 -5.294 -9.174 241 HB3 HIS 31 HB3 HIS 31 -6.863 -6.193 -8.448 242 HD1 HIS 31 HD1 HIS 31 -7.617 -5.256 -5.950 243 HD2 HIS 31 HD2 HIS 31 -5.436 -2.660 -8.420 244 HE1 HIS 31 HE1 HIS 31 -7.993 -2.907 -5.027 245 H GLU 32 HN GLU 32 -5.110 -8.799 -6.320 246 HA GLU 32 HA GLU 32 -3.885 -10.285 -8.351 247 HB2 GLU 32 HB2 GLU 32 -5.335 -10.913 -5.784 248 HB3 GLU 32 HB3 GLU 32 -5.036 -12.224 -6.907 249 HG2 GLU 32 HG2 GLU 32 -2.824 -12.298 -6.377 250 HG3 GLU 32 HG3 GLU 32 -2.638 -10.571 -6.602 251 HE2 GLU 32 HE2 GLU 32 -2.977 -9.876 -3.207 252 H LYS 33 HN LYS 33 -6.908 -11.636 -7.128 253 HA LYS 33 HA LYS 33 -7.845 -12.605 -9.435 254 HB2 LYS 33 HB2 LYS 33 -9.313 -11.530 -7.026 255 HB3 LYS 33 HB3 LYS 33 -10.170 -12.273 -8.361 256 HG2 LYS 33 HG2 LYS 33 -9.760 -14.254 -7.311 257 HG3 LYS 33 HG3 LYS 33 -8.128 -14.103 -7.931 258 HD2 LYS 33 HD2 LYS 33 -8.096 -12.489 -5.631 259 HD3 LYS 33 HD3 LYS 33 -9.109 -13.839 -5.160 260 HE2 LYS 33 HE2 LYS 33 -7.381 -15.448 -5.630 261 HE3 LYS 33 HE3 LYS 33 -6.436 -14.289 -6.545 262 HZ1 LYS 33 HZ1 LYS 33 -6.973 -14.016 -3.636 263 HZ2 LYS 33 HZ2 LYS 33 -5.603 -14.651 -4.246 264 H GLY 34 HN GLY 34 -7.828 -9.210 -8.426 265 HA2 GLY 34 HA1 GLY 34 -7.868 -7.957 -10.737 266 HA3 GLY 34 HA2 GLY 34 -9.551 -8.441 -10.661 267 HA PRO 35 HA PRO 35 -8.599 -4.229 -8.584 268 HB2 PRO 35 HB2 PRO 35 -10.873 -3.163 -9.912 269 HB3 PRO 35 HB3 PRO 35 -9.160 -2.984 -10.413 270 HG2 PRO 35 HG2 PRO 35 -11.126 -4.871 -11.047 271 HG3 PRO 35 HG3 PRO 35 -10.256 -4.385 -12.538 272 HD2 PRO 35 HD2 PRO 35 -9.416 -6.617 -11.710 273 HD3 PRO 35 HD3 PRO 35 -8.151 -5.372 -11.479 274 H GLY 36 HN GLY 36 -9.443 -4.115 -6.506 275 HA2 GLY 36 HA1 GLY 36 -11.788 -3.743 -5.535 276 HA3 GLY 36 HA2 GLY 36 -12.064 -5.389 -6.069 277 H LYS 37 HN LYS 37 -12.469 -5.578 -3.609 278 HA LYS 37 HA LYS 37 -10.552 -5.297 -1.703 279 HB2 LYS 37 HB2 LYS 37 -12.937 -7.036 -2.070 280 HB3 LYS 37 HB3 LYS 37 -11.809 -7.518 -0.820 281 HG2 LYS 37 HG2 LYS 37 -11.903 -4.919 -0.178 282 HG3 LYS 37 HG3 LYS 37 -13.430 -4.976 -1.036 283 HD2 LYS 37 HD2 LYS 37 -12.810 -7.075 1.064 284 HD3 LYS 37 HD3 LYS 37 -13.360 -5.488 1.562 285 HE2 LYS 37 HE2 LYS 37 -15.506 -5.884 0.875 286 HE3 LYS 37 HE3 LYS 37 -14.988 -6.589 -0.643 287 HZ1 LYS 37 HZ1 LYS 37 -15.724 -7.929 1.765 288 HZ2 LYS 37 HZ2 LYS 37 -15.542 -8.554 0.272 289 H ILE 38 HN ILE 38 -8.941 -6.673 -0.760 290 HA ILE 38 HA ILE 38 -7.953 -8.681 -2.666 291 HB ILE 38 HB ILE 38 -6.343 -6.998 -0.745 292 HG12 ILE 38 HG12 ILE 38 -6.523 -6.657 -3.747 293 HG13 ILE 38 HG13 ILE 38 -7.492 -5.725 -2.624 294 HG21 ILE 38 HG21 ILE 38 -4.475 -7.815 -2.310 295 HG22 ILE 38 HG22 ILE 38 -5.130 -8.959 -1.114 296 HG23 ILE 38 HG23 ILE 38 -5.634 -9.067 -2.818 297 HD11 ILE 38 HD11 ILE 38 -5.078 -5.343 -1.461 298 HD12 ILE 38 HD12 ILE 38 -4.539 -5.619 -3.134 299 HD13 ILE 38 HD13 ILE 38 -5.678 -4.300 -2.773 300 H GLU 39 HN GLU 39 -7.598 -10.743 -1.931 301 HA GLU 39 HA GLU 39 -8.423 -11.188 0.807 302 HB2 GLU 39 HB2 GLU 39 -9.007 -12.497 -1.598 303 HB3 GLU 39 HB3 GLU 39 -7.860 -13.575 -0.828 304 HG2 GLU 39 HG2 GLU 39 -9.642 -12.716 1.236 305 HG3 GLU 39 HG3 GLU 39 -10.650 -13.090 -0.148 306 HE2 GLU 39 HE2 GLU 39 -8.905 -15.094 2.339 307 H GLY 40 HN GLY 40 -6.923 -11.532 2.387 308 HA2 GLY 40 HA1 GLY 40 -5.071 -12.952 3.071 309 HA3 GLY 40 HA2 GLY 40 -4.286 -12.581 1.549 310 H PHE 41 HN PHE 41 -4.826 -9.778 1.341 311 HA PHE 41 HA PHE 41 -2.787 -8.800 3.032 312 HB2 PHE 41 HB2 PHE 41 -3.410 -8.031 0.677 313 HB3 PHE 41 HB3 PHE 41 -4.925 -7.412 1.305 314 HD1 PHE 41 HD1 PHE 41 -4.818 -5.550 3.052 315 HD2 PHE 41 HD2 PHE 41 -1.479 -6.702 0.700 316 HE1 PHE 41 HE1 PHE 41 -3.717 -3.347 3.536 317 HE2 PHE 41 HE2 PHE 41 -0.378 -4.499 1.184 318 HZ PHE 41 HZ PHE 41 -1.510 -2.848 2.595 319 H GLY 42 HN GLY 42 -2.937 -7.083 4.635 320 HA2 GLY 42 HA1 GLY 42 -5.293 -5.977 5.597 321 HA3 GLY 42 HA2 GLY 42 -5.055 -7.472 6.478 322 H LYS 43 HN LYS 43 -2.052 -7.352 6.230 323 HA LYS 43 HA LYS 43 -1.186 -4.927 7.393 324 HB2 LYS 43 HB2 LYS 43 -2.506 -5.884 9.298 325 HB3 LYS 43 HB3 LYS 43 -1.423 -7.261 9.314 326 HG2 LYS 43 HG2 LYS 43 0.186 -4.859 9.273 327 HG3 LYS 43 HG3 LYS 43 -1.031 -4.673 10.519 328 HD2 LYS 43 HD2 LYS 43 -0.252 -7.266 10.991 329 HD3 LYS 43 HD3 LYS 43 1.244 -6.606 10.361 330 HE2 LYS 43 HE2 LYS 43 1.645 -5.494 12.300 331 HE3 LYS 43 HE3 LYS 43 0.083 -4.702 12.227 332 HZ1 LYS 43 HZ1 LYS 43 -0.901 -6.404 13.463 333 HZ2 LYS 43 HZ2 LYS 43 0.237 -7.513 13.106 334 H GLU 44 HN GLU 44 -0.243 -8.328 8.177 335 HA GLU 44 HA GLU 44 2.352 -8.142 7.899 336 HB2 GLU 44 HB2 GLU 44 1.571 -10.277 8.457 337 HB3 GLU 44 HB3 GLU 44 0.435 -10.334 7.124 338 HG2 GLU 44 HG2 GLU 44 2.247 -11.858 6.598 339 HG3 GLU 44 HG3 GLU 44 2.391 -10.483 5.521 340 HE2 GLU 44 HE2 GLU 44 5.120 -9.150 7.378 341 H MET 45 HN MET 45 0.127 -8.732 5.085 342 HA MET 45 HA MET 45 1.957 -8.896 3.121 343 HB2 MET 45 HB2 MET 45 -0.830 -7.683 3.294 344 HB3 MET 45 HB3 MET 45 0.037 -7.601 1.773 345 HG2 MET 45 HG2 MET 45 -0.578 -10.165 3.323 346 HG3 MET 45 HG3 MET 45 -1.417 -9.624 1.883 347 HE1 MET 45 HE1 MET 45 1.758 -10.850 3.504 348 HE2 MET 45 HE2 MET 45 0.931 -12.273 2.824 349 HE3 MET 45 HE3 MET 45 2.528 -11.789 2.203 350 H ALA 46 HN ALA 46 0.447 -5.840 4.383 351 HA ALA 46 HA ALA 46 1.767 -4.090 2.702 352 HB1 ALA 46 HB1 ALA 46 1.269 -2.421 4.493 353 HB2 ALA 46 HB2 ALA 46 -0.126 -3.459 4.110 354 HB3 ALA 46 HB3 ALA 46 0.830 -3.760 5.581 355 H HIS 47 HN HIS 47 2.789 -5.610 5.802 356 HA HIS 47 HA HIS 47 5.212 -4.105 5.867 357 HB2 HIS 47 HB2 HIS 47 4.305 -6.523 7.455 358 HB3 HIS 47 HB3 HIS 47 5.754 -5.593 7.781 359 HD1 HIS 47 HD1 HIS 47 2.821 -5.972 9.408 360 HD2 HIS 47 HD2 HIS 47 4.520 -2.549 7.677 361 HE1 HIS 47 HE1 HIS 47 1.750 -3.972 10.577 362 H GLY 48 HN GLY 48 4.212 -6.281 3.676 363 HA2 GLY 48 HA1 GLY 48 6.924 -7.131 3.081 364 HA3 GLY 48 HA2 GLY 48 5.797 -8.420 3.452 365 H LYS 49 HN LYS 49 5.479 -9.364 1.441 366 HA LYS 49 HA LYS 49 5.344 -7.943 -0.950 367 HB2 LYS 49 HB2 LYS 49 5.822 -10.385 -0.665 368 HB3 LYS 49 HB3 LYS 49 4.125 -10.646 -0.317 369 HG2 LYS 49 HG2 LYS 49 3.461 -10.249 -2.510 370 HG3 LYS 49 HG3 LYS 49 4.739 -9.087 -2.806 371 HD2 LYS 49 HD2 LYS 49 5.510 -10.879 -4.084 372 HD3 LYS 49 HD3 LYS 49 6.335 -11.203 -2.572 373 HE2 LYS 49 HE2 LYS 49 3.830 -12.448 -2.237 374 HE3 LYS 49 HE3 LYS 49 4.224 -12.760 -3.916 375 HZ1 LYS 49 HZ1 LYS 49 6.539 -13.390 -2.910 376 HZ2 LYS 49 HZ2 LYS 49 5.712 -13.592 -1.522 377 H GLY 50 HN GLY 50 4.000 -6.085 -0.530 378 HA2 GLY 50 HA1 GLY 50 1.339 -6.400 -1.368 379 HA3 GLY 50 HA2 GLY 50 1.352 -6.243 0.377 380 H CYS 51 HN CYS 51 3.533 -4.493 0.807 381 HA CYS 51 HA CYS 51 2.885 -2.166 -0.824 382 HB2 CYS 51 HB2 CYS 51 2.968 -2.075 2.196 383 HB3 CYS 51 HB3 CYS 51 2.660 -0.736 1.108 384 H LYS 52 HN LYS 52 4.860 -3.444 1.958 385 HA LYS 52 HA LYS 52 7.052 -1.751 1.390 386 HB2 LYS 52 HB2 LYS 52 6.244 -3.557 3.437 387 HB3 LYS 52 HB3 LYS 52 7.823 -4.080 2.886 388 HG2 LYS 52 HG2 LYS 52 7.495 -1.125 3.241 389 HG3 LYS 52 HG3 LYS 52 7.434 -2.073 4.714 390 HD2 LYS 52 HD2 LYS 52 9.620 -2.934 2.926 391 HD3 LYS 52 HD3 LYS 52 9.759 -1.246 3.374 392 HE2 LYS 52 HE2 LYS 52 9.851 -1.743 5.712 393 HE3 LYS 52 HE3 LYS 52 9.188 -3.350 5.490 394 HZ1 LYS 52 HZ1 LYS 52 11.903 -2.565 5.388 395 HZ2 LYS 52 HZ2 LYS 52 11.295 -4.075 5.351 396 H GLY 53 HN GLY 53 6.377 -5.262 0.779 397 HA2 GLY 53 HA1 GLY 53 8.622 -6.172 -0.325 398 HA3 GLY 53 HA2 GLY 53 7.041 -6.521 -0.996 399 H CYS 54 HN CYS 54 6.220 -4.073 -2.069 400 HA CYS 54 HA CYS 54 7.817 -4.005 -4.410 401 HB2 CYS 54 HB2 CYS 54 5.327 -3.747 -4.387 402 HB3 CYS 54 HB3 CYS 54 5.521 -2.180 -3.626 403 H HIS 55 HN HIS 55 7.220 -1.886 -1.549 404 HA HIS 55 HA HIS 55 8.644 0.317 -2.449 405 HB2 HIS 55 HB2 HIS 55 8.108 -0.705 0.351 406 HB3 HIS 55 HB3 HIS 55 8.818 0.859 0.004 407 HD1 HIS 55 HD1 HIS 55 6.105 0.646 1.485 408 HD2 HIS 55 HD2 HIS 55 6.492 1.135 -2.663 409 HE1 HIS 55 HE1 HIS 55 3.914 1.675 0.679 410 H GLU 56 HN GLU 56 9.682 -2.606 -0.592 411 HA GLU 56 HA GLU 56 12.357 -1.659 -0.473 412 HB2 GLU 56 HB2 GLU 56 12.716 -4.128 0.335 413 HB3 GLU 56 HB3 GLU 56 11.813 -3.023 1.351 414 HG2 GLU 56 HG2 GLU 56 9.827 -4.141 1.039 415 HG3 GLU 56 HG3 GLU 56 10.143 -4.445 -0.657 416 HE2 GLU 56 HE2 GLU 56 9.359 -6.149 1.583 417 H GLU 57 HN GLU 57 10.383 -3.595 -2.667 418 HA GLU 57 HA GLU 57 12.604 -4.836 -3.918 419 HB2 GLU 57 HB2 GLU 57 10.498 -5.995 -3.992 420 HB3 GLU 57 HB3 GLU 57 9.655 -4.590 -4.613 421 HG2 GLU 57 HG2 GLU 57 10.090 -6.260 -6.408 422 HG3 GLU 57 HG3 GLU 57 10.879 -4.732 -6.747 423 HE2 GLU 57 HE2 GLU 57 13.792 -6.491 -7.205 424 H MET 58 HN MET 58 10.556 -1.939 -4.472 425 HA MET 58 HA MET 58 12.000 -1.398 -6.912 426 HB2 MET 58 HB2 MET 58 9.669 -0.031 -5.463 427 HB3 MET 58 HB3 MET 58 10.359 0.606 -6.942 428 HG2 MET 58 HG2 MET 58 9.941 -1.885 -7.837 429 HG3 MET 58 HG3 MET 58 8.774 -1.936 -6.532 430 HE1 MET 58 HE1 MET 58 8.638 -0.819 -10.474 431 HE2 MET 58 HE2 MET 58 8.646 -2.286 -9.465 432 HE3 MET 58 HE3 MET 58 7.101 -1.544 -9.946 433 H LYS 59 HN LYS 59 11.499 -0.063 -3.600 434 HA LYS 59 HA LYS 59 12.846 1.197 -2.360 435 HB2 LYS 59 HB2 LYS 59 14.784 1.413 -4.675 436 HB3 LYS 59 HB3 LYS 59 15.108 1.688 -2.975 437 HG2 LYS 59 HG2 LYS 59 14.007 -1.002 -3.795 438 HG3 LYS 59 HG3 LYS 59 15.688 -0.656 -4.151 439 HD2 LYS 59 HD2 LYS 59 15.310 0.228 -1.478 440 HD3 LYS 59 HD3 LYS 59 14.438 -1.289 -1.579 441 HE2 LYS 59 HE2 LYS 59 16.769 -1.927 -2.931 442 HE3 LYS 59 HE3 LYS 59 17.367 -0.776 -1.753 443 HZ1 LYS 59 HZ1 LYS 59 17.401 -2.898 -0.712 444 HZ2 LYS 59 HZ2 LYS 59 16.121 -2.146 -0.045 445 H LYS 60 HN LYS 60 10.600 2.247 -3.490 446 HA LYS 60 HA LYS 60 11.501 4.963 -4.124 447 HB2 LYS 60 HB2 LYS 60 9.377 3.356 -5.562 448 HB3 LYS 60 HB3 LYS 60 9.474 5.103 -5.654 449 HG2 LYS 60 HG2 LYS 60 11.790 4.959 -6.535 450 HG3 LYS 60 HG3 LYS 60 11.768 3.214 -6.368 451 HD2 LYS 60 HD2 LYS 60 10.597 2.928 -8.307 452 HD3 LYS 60 HD3 LYS 60 9.451 4.191 -7.905 453 HE2 LYS 60 HE2 LYS 60 12.272 4.918 -8.764 454 HE3 LYS 60 HE3 LYS 60 11.064 4.519 -9.969 455 HZ1 LYS 60 HZ1 LYS 60 10.555 6.563 -7.884 456 HZ2 LYS 60 HZ2 LYS 60 11.219 6.947 -9.321 457 H GLY 61 HN GLY 61 8.886 2.773 -2.943 458 HA2 GLY 61 HA1 GLY 61 7.427 4.925 -1.717 459 HA3 GLY 61 HA2 GLY 61 7.120 3.205 -1.583 460 HA PRO 62 HA PRO 62 8.948 4.760 2.417 461 HB2 PRO 62 HB2 PRO 62 6.839 4.233 4.037 462 HB3 PRO 62 HB3 PRO 62 6.862 5.686 2.985 463 HG2 PRO 62 HG2 PRO 62 5.114 3.051 2.117 464 HG3 PRO 62 HG3 PRO 62 5.133 4.804 2.496 465 HD2 PRO 62 HD2 PRO 62 5.870 3.489 0.014 466 HD3 PRO 62 HD3 PRO 62 6.038 5.226 0.411 467 H THR 63 HN THR 63 10.100 3.331 3.776 468 HA THR 63 HA THR 63 9.131 0.572 3.896 469 HB THR 63 HB THR 63 11.703 0.013 3.516 470 HG1 THR 63 HG1 THR 63 12.443 1.762 1.933 471 HG21 THR 63 HG21 THR 63 9.484 0.064 1.770 472 HG22 THR 63 HG22 THR 63 10.737 0.991 0.909 473 HG23 THR 63 HG23 THR 63 11.064 -0.680 1.427 474 H LYS 64 HN LYS 64 9.099 2.902 5.749 475 HA LYS 64 HA LYS 64 10.555 1.557 7.894 476 HB2 LYS 64 HB2 LYS 64 11.446 3.950 6.736 477 HB3 LYS 64 HB3 LYS 64 10.632 4.449 8.205 478 HG2 LYS 64 HG2 LYS 64 11.973 2.819 9.526 479 HG3 LYS 64 HG3 LYS 64 12.757 2.257 8.063 480 HD2 LYS 64 HD2 LYS 64 14.310 3.890 8.287 481 HD3 LYS 64 HD3 LYS 64 13.057 5.095 8.061 482 HE2 LYS 64 HE2 LYS 64 12.636 4.355 10.703 483 HE3 LYS 64 HE3 LYS 64 14.375 4.188 10.569 484 HZ1 LYS 64 HZ1 LYS 64 13.086 6.626 9.529 485 HZ2 LYS 64 HZ2 LYS 64 13.377 6.499 11.127 486 H CYS 65 HN CYS 65 9.639 1.982 10.036 487 HA CYS 65 HA CYS 65 6.885 1.868 10.023 488 HB2 CYS 65 HB2 CYS 65 8.413 2.836 12.420 489 HB3 CYS 65 HB3 CYS 65 6.989 1.817 12.351 490 H GLY 66 HN GLY 66 9.192 4.599 10.542 491 HA2 GLY 66 HA1 GLY 66 7.031 6.492 10.969 492 HA3 GLY 66 HA2 GLY 66 8.755 6.806 10.992 493 H GLU 67 HN GLU 67 7.703 4.890 8.282 494 HA GLU 67 HA GLU 67 7.808 7.300 6.641 495 HB2 GLU 67 HB2 GLU 67 9.391 4.928 6.539 496 HB3 GLU 67 HB3 GLU 67 8.346 4.875 5.134 497 HG2 GLU 67 HG2 GLU 67 9.064 7.445 4.899 498 HG3 GLU 67 HG3 GLU 67 10.429 6.936 5.873 499 HE2 GLU 67 HE2 GLU 67 10.981 6.812 2.373 500 H CYS 68 HN CYS 68 5.726 5.049 7.932 501 HA CYS 68 HA CYS 68 3.941 5.320 5.631 502 HB2 CYS 68 HB2 CYS 68 4.920 2.848 6.819 503 HB3 CYS 68 HB3 CYS 68 3.173 2.947 6.919 504 H HIS 69 HN HIS 69 4.084 4.216 9.106 505 HA HIS 69 HA HIS 69 1.475 5.200 9.616 506 HB2 HIS 69 HB2 HIS 69 3.663 4.253 11.489 507 HB3 HIS 69 HB3 HIS 69 2.013 4.600 11.970 508 HD1 HIS 69 HD1 HIS 69 0.111 3.048 10.724 509 HD2 HIS 69 HD2 HIS 69 4.076 1.684 10.605 510 HE1 HIS 69 HE1 HIS 69 -0.003 0.568 10.133 511 H LYS 70 HN LYS 70 1.056 7.358 9.564 512 HA LYS 70 HA LYS 70 2.581 9.038 11.342 513 HB2 LYS 70 HB2 LYS 70 3.963 9.262 9.398 514 HB3 LYS 70 HB3 LYS 70 2.577 9.478 8.348 515 HG2 LYS 70 HG2 LYS 70 3.189 11.703 8.650 516 HG3 LYS 70 HG3 LYS 70 2.043 11.532 9.965 517 HD2 LYS 70 HD2 LYS 70 3.877 12.501 11.065 518 HD3 LYS 70 HD3 LYS 70 4.134 10.798 11.391 519 HE2 LYS 70 HE2 LYS 70 6.253 11.329 10.613 520 HE3 LYS 70 HE3 LYS 70 5.509 10.910 9.083 521 HZ1 LYS 70 HZ1 LYS 70 5.078 13.252 8.678 522 HZ2 LYS 70 HZ2 LYS 70 5.639 13.682 10.146 523 H LYS 71 HN LYS 71 1.001 9.921 12.555 524 HA LYS 71 HA LYS 71 -1.670 9.965 11.774 525 HB2 LYS 71 HB2 LYS 71 -1.335 9.974 14.061 526 HB3 LYS 71 HB3 LYS 71 -0.062 11.175 13.993 527 HG2 LYS 71 HG2 LYS 71 -1.534 12.930 14.087 528 HG3 LYS 71 HG3 LYS 71 -2.654 12.180 12.968 529 HD2 LYS 71 HD2 LYS 71 -3.764 10.968 14.668 530 HD3 LYS 71 HD3 LYS 71 -2.393 11.036 15.757 531 HE2 LYS 71 HE2 LYS 71 -2.946 13.727 15.455 532 HE3 LYS 71 HE3 LYS 71 -4.552 13.043 15.302 533 HZ1 LYS 71 HZ1 LYS 71 -2.828 13.107 17.632 534 HZ2 LYS 71 HZ2 LYS 71 -4.455 13.080 17.559 Start of MODEL 4 1 H1 ALA 1 HN ALA 1 -13.589 9.120 -2.052 2 HA ALA 1 HA ALA 1 -12.413 9.853 -3.843 3 HB1 ALA 1 HB1 ALA 1 -11.737 11.845 -2.231 4 HB2 ALA 1 HB2 ALA 1 -10.187 10.973 -2.154 5 HB3 ALA 1 HB3 ALA 1 -10.815 11.535 -3.722 6 H ASP 2 HN ASP 2 -10.159 9.247 -4.828 7 HA ASP 2 HA ASP 2 -9.763 6.648 -4.659 8 HB2 ASP 2 HB2 ASP 2 -8.162 8.960 -5.494 9 HB3 ASP 2 HB3 ASP 2 -7.126 7.666 -4.926 10 HD2 ASP 2 HD2 ASP 2 -8.151 7.518 -8.543 11 H ASP 3 HN ASP 3 -8.156 9.194 -2.634 12 HA ASP 3 HA ASP 3 -6.307 7.860 -1.316 13 HB2 ASP 3 HB2 ASP 3 -7.081 10.239 -0.910 14 HB3 ASP 3 HB3 ASP 3 -8.409 9.610 0.044 15 HD2 ASP 3 HD2 ASP 3 -5.543 10.968 0.419 16 H ILE 4 HN ILE 4 -6.406 5.765 -0.477 17 HA ILE 4 HA ILE 4 -8.888 4.989 0.877 18 HB ILE 4 HB ILE 4 -6.880 3.562 -0.778 19 HG12 ILE 4 HG12 ILE 4 -9.884 3.359 -0.415 20 HG13 ILE 4 HG13 ILE 4 -9.041 4.180 -1.714 21 HG21 ILE 4 HG21 ILE 4 -7.964 1.401 0.313 22 HG22 ILE 4 HG22 ILE 4 -6.479 2.141 0.960 23 HG23 ILE 4 HG23 ILE 4 -8.047 2.463 1.739 24 HD11 ILE 4 HD11 ILE 4 -9.305 1.217 -1.197 25 HD12 ILE 4 HD12 ILE 4 -9.514 2.119 -2.716 26 HD13 ILE 4 HD13 ILE 4 -7.880 1.816 -2.079 27 H VAL 5 HN VAL 5 -8.686 5.628 2.989 28 HA VAL 5 HA VAL 5 -6.136 5.408 4.300 29 HB VAL 5 HB VAL 5 -8.807 6.048 5.541 30 HG11 VAL 5 HG11 VAL 5 -6.736 5.677 6.963 31 HG12 VAL 5 HG12 VAL 5 -6.059 7.138 6.206 32 HG13 VAL 5 HG13 VAL 5 -7.551 7.245 7.170 33 HG21 VAL 5 HG21 VAL 5 -7.026 7.825 3.856 34 HG22 VAL 5 HG22 VAL 5 -8.764 7.496 3.664 35 HG23 VAL 5 HG23 VAL 5 -8.190 8.470 5.038 36 H LEU 6 HN LEU 6 -5.401 3.687 5.447 37 HA LEU 6 HA LEU 6 -7.263 1.468 5.782 38 HB2 LEU 6 HB2 LEU 6 -4.252 1.650 5.880 39 HB3 LEU 6 HB3 LEU 6 -5.153 0.198 6.266 40 HG LEU 6 HG LEU 6 -5.393 1.596 3.595 41 HD11 LEU 6 HD11 LEU 6 -3.654 -0.818 4.049 42 HD12 LEU 6 HD12 LEU 6 -3.683 0.314 2.676 43 HD13 LEU 6 HD13 LEU 6 -3.015 0.832 4.242 44 HD21 LEU 6 HD21 LEU 6 -6.788 -0.561 4.812 45 HD22 LEU 6 HD22 LEU 6 -6.950 0.081 3.160 46 HD23 LEU 6 HD23 LEU 6 -5.794 -1.230 3.496 47 H LYS 7 HN LYS 7 -7.568 0.423 7.818 48 HA LYS 7 HA LYS 7 -7.493 2.263 9.999 49 HB2 LYS 7 HB2 LYS 7 -8.318 -0.655 9.922 50 HB3 LYS 7 HB3 LYS 7 -8.642 0.477 11.219 51 HG2 LYS 7 HG2 LYS 7 -9.559 1.785 8.876 52 HG3 LYS 7 HG3 LYS 7 -10.062 0.118 8.681 53 HD2 LYS 7 HD2 LYS 7 -10.661 0.636 11.368 54 HD3 LYS 7 HD3 LYS 7 -11.033 2.160 10.586 55 HE2 LYS 7 HE2 LYS 7 -12.211 0.504 8.791 56 HE3 LYS 7 HE3 LYS 7 -12.308 -0.538 10.196 57 HZ1 LYS 7 HZ1 LYS 7 -13.928 0.752 11.045 58 HZ2 LYS 7 HZ2 LYS 7 -13.087 2.132 10.844 59 H ALA 8 HN ALA 8 -5.862 2.576 11.412 60 HA ALA 8 HA ALA 8 -4.279 0.395 12.321 61 HB1 ALA 8 HB1 ALA 8 -2.185 0.950 11.358 62 HB2 ALA 8 HB2 ALA 8 -3.332 1.001 9.997 63 HB3 ALA 8 HB3 ALA 8 -2.782 2.515 10.754 64 H LYS 9 HN LYS 9 -4.430 0.906 14.453 65 HA LYS 9 HA LYS 9 -4.724 3.573 15.332 66 HB2 LYS 9 HB2 LYS 9 -4.844 2.653 17.505 67 HB3 LYS 9 HB3 LYS 9 -5.610 1.487 16.445 68 HG2 LYS 9 HG2 LYS 9 -4.137 -0.112 17.082 69 HG3 LYS 9 HG3 LYS 9 -2.793 0.868 16.532 70 HD2 LYS 9 HD2 LYS 9 -2.959 2.153 18.752 71 HD3 LYS 9 HD3 LYS 9 -4.109 0.942 19.285 72 HE2 LYS 9 HE2 LYS 9 -2.496 -0.766 19.366 73 HE3 LYS 9 HE3 LYS 9 -1.476 -0.013 18.156 74 HZ1 LYS 9 HZ1 LYS 9 -0.455 0.276 20.297 75 HZ2 LYS 9 HZ2 LYS 9 -0.988 1.748 19.847 76 H ASN 10 HN ASN 10 -2.030 1.815 14.191 77 HA ASN 10 HA ASN 10 -0.159 3.087 15.939 78 HB2 ASN 10 HB2 ASN 10 0.191 1.380 13.420 79 HB3 ASN 10 HB3 ASN 10 1.534 1.970 14.379 80 HD21 ASN 10 HD21 ASN 10 2.090 1.003 16.240 81 HD22 ASN 10 HD22 ASN 10 1.326 -0.402 16.906 82 H GLY 11 HN GLY 11 -2.079 4.148 13.447 83 HA2 GLY 11 HA1 GLY 11 -1.612 6.480 12.802 84 HA3 GLY 11 HA2 GLY 11 -0.001 5.953 12.357 85 H ASP 12 HN ASP 12 -3.163 6.519 11.224 86 HA ASP 12 HA ASP 12 -3.773 4.640 9.465 87 HB2 ASP 12 HB2 ASP 12 -4.043 7.586 9.571 88 HB3 ASP 12 HB3 ASP 12 -4.102 6.965 7.933 89 HD2 ASP 12 HD2 ASP 12 -7.298 7.191 9.770 90 H VAL 13 HN VAL 13 -3.313 4.355 7.085 91 HA VAL 13 HA VAL 13 -0.661 5.382 6.347 92 HB VAL 13 HB VAL 13 -1.810 2.648 5.753 93 HG11 VAL 13 HG11 VAL 13 -0.255 3.585 4.034 94 HG12 VAL 13 HG12 VAL 13 0.997 3.709 5.293 95 HG13 VAL 13 HG13 VAL 13 0.356 2.114 4.830 96 HG21 VAL 13 HG21 VAL 13 -1.211 3.040 8.169 97 HG22 VAL 13 HG22 VAL 13 -0.292 1.742 7.370 98 HG23 VAL 13 HG23 VAL 13 0.464 3.331 7.641 99 H LYS 14 HN LYS 14 -1.742 7.163 5.271 100 HA LYS 14 HA LYS 14 -3.788 6.801 3.419 101 HB2 LYS 14 HB2 LYS 14 -3.419 8.971 4.266 102 HB3 LYS 14 HB3 LYS 14 -1.715 8.949 3.859 103 HG2 LYS 14 HG2 LYS 14 -2.936 8.498 1.383 104 HG3 LYS 14 HG3 LYS 14 -4.045 9.612 2.158 105 HD2 LYS 14 HD2 LYS 14 -2.631 11.270 1.503 106 HD3 LYS 14 HD3 LYS 14 -1.561 10.723 2.779 107 HE2 LYS 14 HE2 LYS 14 -1.064 8.930 0.652 108 HE3 LYS 14 HE3 LYS 14 -1.252 10.483 -0.136 109 HZ1 LYS 14 HZ1 LYS 14 0.848 9.611 1.645 110 HZ2 LYS 14 HZ2 LYS 14 0.892 10.764 0.495 111 H LEU 15 HN LEU 15 -3.770 5.559 1.629 112 HA LEU 15 HA LEU 15 -1.207 5.307 0.224 113 HB2 LEU 15 HB2 LEU 15 -1.774 3.177 0.850 114 HB3 LEU 15 HB3 LEU 15 -3.497 3.461 0.705 115 HG LEU 15 HG LEU 15 -2.779 3.710 -1.896 116 HD11 LEU 15 HD11 LEU 15 -0.395 2.935 -0.879 117 HD12 LEU 15 HD12 LEU 15 -1.111 1.351 -1.260 118 HD13 LEU 15 HD13 LEU 15 -0.939 2.579 -2.536 119 HD21 LEU 15 HD21 LEU 15 -4.084 1.773 -0.236 120 HD22 LEU 15 HD22 LEU 15 -4.358 2.157 -1.952 121 HD23 LEU 15 HD23 LEU 15 -3.151 0.931 -1.496 122 HA PRO 16 HA PRO 16 -3.179 8.190 -2.571 123 HB2 PRO 16 HB2 PRO 16 -0.552 7.743 -3.965 124 HB3 PRO 16 HB3 PRO 16 -1.342 9.257 -3.417 125 HG2 PRO 16 HG2 PRO 16 0.830 8.253 -2.024 126 HG3 PRO 16 HG3 PRO 16 -0.633 9.120 -1.456 127 HD2 PRO 16 HD2 PRO 16 -0.017 6.116 -1.478 128 HD3 PRO 16 HD3 PRO 16 -0.643 7.116 -0.133 129 H HIS 17 HN HIS 17 -4.462 5.896 -2.880 130 HA HIS 17 HA HIS 17 -3.781 4.032 -4.662 131 HB2 HIS 17 HB2 HIS 17 -5.925 4.257 -3.361 132 HB3 HIS 17 HB3 HIS 17 -6.503 5.360 -4.595 133 HD1 HIS 17 HD1 HIS 17 -7.734 4.312 -6.510 134 HD2 HIS 17 HD2 HIS 17 -5.257 1.570 -4.524 135 HE1 HIS 17 HE1 HIS 17 -8.189 2.038 -7.573 136 H LYS 18 HN LYS 18 -5.300 7.219 -5.525 137 HA LYS 18 HA LYS 18 -5.298 6.877 -8.249 138 HB2 LYS 18 HB2 LYS 18 -6.431 8.695 -7.024 139 HB3 LYS 18 HB3 LYS 18 -4.882 9.436 -6.675 140 HG2 LYS 18 HG2 LYS 18 -5.686 10.587 -8.608 141 HG3 LYS 18 HG3 LYS 18 -4.467 9.486 -9.219 142 HD2 LYS 18 HD2 LYS 18 -6.463 7.813 -9.573 143 HD3 LYS 18 HD3 LYS 18 -7.490 9.220 -9.387 144 HE2 LYS 18 HE2 LYS 18 -7.159 9.615 -11.603 145 HE3 LYS 18 HE3 LYS 18 -5.532 10.114 -11.183 146 HZ1 LYS 18 HZ1 LYS 18 -4.762 8.319 -12.262 147 HZ2 LYS 18 HZ2 LYS 18 -5.597 7.301 -11.303 148 H ALA 19 HN ALA 19 -2.734 8.481 -6.229 149 HA ALA 19 HA ALA 19 -0.946 8.913 -8.280 150 HB1 ALA 19 HB1 ALA 19 0.236 9.771 -6.568 151 HB2 ALA 19 HB2 ALA 19 -1.060 9.208 -5.485 152 HB3 ALA 19 HB3 ALA 19 0.363 8.179 -5.781 153 H HIS 20 HN HIS 20 -1.282 6.045 -6.083 154 HA HIS 20 HA HIS 20 0.836 4.631 -7.203 155 HB2 HIS 20 HB2 HIS 20 -1.533 3.979 -5.502 156 HB3 HIS 20 HB3 HIS 20 -0.678 2.647 -6.254 157 HD1 HIS 20 HD1 HIS 20 -0.107 5.516 -3.823 158 HD2 HIS 20 HD2 HIS 20 1.748 1.970 -5.078 159 HE1 HIS 20 HE1 HIS 20 1.834 5.117 -2.215 160 H GLN 21 HN GLN 21 -2.471 5.224 -8.277 161 HA GLN 21 HA GLN 21 -2.522 3.013 -10.045 162 HB2 GLN 21 HB2 GLN 21 -4.262 5.442 -9.579 163 HB3 GLN 21 HB3 GLN 21 -4.514 4.468 -11.014 164 HG2 GLN 21 HG2 GLN 21 -5.071 2.522 -9.752 165 HG3 GLN 21 HG3 GLN 21 -4.331 3.141 -8.289 166 HE21 GLN 21 HE21 GLN 21 -7.175 2.576 -9.835 167 HE22 GLN 21 HE22 GLN 21 -8.236 3.661 -9.000 168 H LYS 22 HN LYS 22 -0.747 5.872 -10.028 169 HA LYS 22 HA LYS 22 -0.734 6.001 -12.962 170 HB2 LYS 22 HB2 LYS 22 -1.452 8.075 -11.834 171 HB3 LYS 22 HB3 LYS 22 0.055 8.121 -10.941 172 HG2 LYS 22 HG2 LYS 22 0.267 7.866 -13.929 173 HG3 LYS 22 HG3 LYS 22 -0.292 9.407 -13.309 174 HD2 LYS 22 HD2 LYS 22 1.715 9.660 -11.929 175 HD3 LYS 22 HD3 LYS 22 2.239 8.030 -12.302 176 HE2 LYS 22 HE2 LYS 22 2.747 8.579 -14.575 177 HE3 LYS 22 HE3 LYS 22 1.791 10.047 -14.530 178 HZ1 LYS 22 HZ1 LYS 22 3.461 11.178 -13.465 179 HZ2 LYS 22 HZ2 LYS 22 4.013 9.887 -12.639 180 H ALA 23 HN ALA 23 1.238 5.813 -9.961 181 HA ALA 23 HA ALA 23 3.711 5.746 -11.342 182 HB1 ALA 23 HB1 ALA 23 3.685 4.438 -8.730 183 HB2 ALA 23 HB2 ALA 23 4.499 5.937 -9.241 184 HB3 ALA 23 HB3 ALA 23 2.804 5.984 -8.699 185 H VAL 24 HN VAL 24 1.243 3.355 -10.409 186 HA VAL 24 HA VAL 24 2.994 1.258 -11.488 187 HB VAL 24 HB VAL 24 0.811 1.248 -9.416 188 HG11 VAL 24 HG11 VAL 24 1.123 -1.270 -9.386 189 HG12 VAL 24 HG12 VAL 24 0.229 -0.616 -10.780 190 HG13 VAL 24 HG13 VAL 24 1.931 -1.105 -10.964 191 HG21 VAL 24 HG21 VAL 24 3.453 -0.142 -9.153 192 HG22 VAL 24 HG22 VAL 24 3.400 1.632 -9.019 193 HG23 VAL 24 HG23 VAL 24 2.437 0.627 -7.910 194 HA PRO 25 HA PRO 25 -0.108 1.823 -14.743 195 HB2 PRO 25 HB2 PRO 25 1.571 1.200 -16.803 196 HB3 PRO 25 HB3 PRO 25 1.631 2.790 -15.974 197 HG2 PRO 25 HG2 PRO 25 3.229 0.459 -15.589 198 HG3 PRO 25 HG3 PRO 25 3.908 2.116 -15.698 199 HD2 PRO 25 HD2 PRO 25 3.578 0.860 -13.297 200 HD3 PRO 25 HD3 PRO 25 3.238 2.609 -13.466 201 H ASP 26 HN ASP 26 -0.289 -0.418 -13.031 202 HA ASP 26 HA ASP 26 -0.996 -2.371 -14.923 203 HB2 ASP 26 HB2 ASP 26 1.061 -3.340 -12.919 204 HB3 ASP 26 HB3 ASP 26 0.520 -4.126 -14.389 205 HD2 ASP 26 HD2 ASP 26 1.368 -2.214 -16.435 206 H CYS 27 HN CYS 27 -3.022 -1.964 -13.732 207 HA CYS 27 HA CYS 27 -3.135 -2.239 -10.929 208 HB2 CYS 27 HB2 CYS 27 -5.548 -2.645 -12.641 209 HB3 CYS 27 HB3 CYS 27 -5.387 -1.810 -11.108 210 H LYS 28 HN LYS 28 -1.707 -4.375 -11.262 211 HA LYS 28 HA LYS 28 -3.590 -6.579 -11.020 212 HB2 LYS 28 HB2 LYS 28 -1.748 -7.897 -12.422 213 HB3 LYS 28 HB3 LYS 28 -3.133 -7.129 -13.173 214 HG2 LYS 28 HG2 LYS 28 -1.782 -5.107 -13.667 215 HG3 LYS 28 HG3 LYS 28 -0.401 -5.801 -12.841 216 HD2 LYS 28 HD2 LYS 28 -1.731 -7.215 -15.188 217 HD3 LYS 28 HD3 LYS 28 -0.479 -6.013 -15.431 218 HE2 LYS 28 HE2 LYS 28 0.334 -7.935 -13.374 219 HE3 LYS 28 HE3 LYS 28 -0.113 -8.768 -14.849 220 HZ1 LYS 28 HZ1 LYS 28 2.200 -7.200 -14.364 221 HZ2 LYS 28 HZ2 LYS 28 1.877 -8.146 -15.650 222 H LYS 29 HN LYS 29 -0.117 -5.532 -10.926 223 HA LYS 29 HA LYS 29 0.792 -7.483 -9.220 224 HB2 LYS 29 HB2 LYS 29 2.333 -6.068 -10.350 225 HB3 LYS 29 HB3 LYS 29 1.639 -4.615 -9.660 226 HG2 LYS 29 HG2 LYS 29 3.599 -4.997 -8.364 227 HG3 LYS 29 HG3 LYS 29 2.292 -5.566 -7.344 228 HD2 LYS 29 HD2 LYS 29 2.985 -7.750 -7.450 229 HD3 LYS 29 HD3 LYS 29 3.341 -7.658 -9.163 230 HE2 LYS 29 HE2 LYS 29 5.215 -6.012 -7.613 231 HE3 LYS 29 HE3 LYS 29 5.215 -7.668 -7.042 232 HZ1 LYS 29 HZ1 LYS 29 5.363 -8.219 -9.566 233 HZ2 LYS 29 HZ2 LYS 29 5.884 -6.685 -9.736 234 H CYS 30 HN CYS 30 -1.447 -4.876 -8.624 235 HA CYS 30 HA CYS 30 -1.083 -5.238 -5.746 236 HB2 CYS 30 HB2 CYS 30 -1.782 -2.933 -7.422 237 HB3 CYS 30 HB3 CYS 30 -2.887 -3.153 -6.079 238 H HIS 31 HN HIS 31 -3.261 -5.551 -8.552 239 HA HIS 31 HA HIS 31 -5.280 -6.683 -6.755 240 HB2 HIS 31 HB2 HIS 31 -5.567 -5.277 -9.418 241 HB3 HIS 31 HB3 HIS 31 -6.861 -6.203 -8.684 242 HD1 HIS 31 HD1 HIS 31 -7.457 -5.345 -6.076 243 HD2 HIS 31 HD2 HIS 31 -5.567 -2.649 -8.675 244 HE1 HIS 31 HE1 HIS 31 -7.857 -3.019 -5.107 245 H GLU 32 HN GLU 32 -4.890 -8.859 -6.686 246 HA GLU 32 HA GLU 32 -3.773 -10.197 -8.896 247 HB2 GLU 32 HB2 GLU 32 -4.526 -12.261 -7.420 248 HB3 GLU 32 HB3 GLU 32 -3.217 -11.226 -6.884 249 HG2 GLU 32 HG2 GLU 32 -5.967 -10.360 -6.073 250 HG3 GLU 32 HG3 GLU 32 -5.395 -11.846 -5.341 251 HE2 GLU 32 HE2 GLU 32 -5.580 -8.818 -4.877 252 H LYS 33 HN LYS 33 -6.520 -11.796 -7.361 253 HA LYS 33 HA LYS 33 -7.670 -12.791 -9.546 254 HB2 LYS 33 HB2 LYS 33 -8.960 -11.783 -7.003 255 HB3 LYS 33 HB3 LYS 33 -9.859 -12.655 -8.228 256 HG2 LYS 33 HG2 LYS 33 -9.176 -14.497 -7.035 257 HG3 LYS 33 HG3 LYS 33 -7.724 -14.331 -8.002 258 HD2 LYS 33 HD2 LYS 33 -6.502 -13.970 -6.130 259 HD3 LYS 33 HD3 LYS 33 -7.449 -12.539 -5.774 260 HE2 LYS 33 HE2 LYS 33 -8.742 -15.170 -5.132 261 HE3 LYS 33 HE3 LYS 33 -7.370 -14.721 -4.138 262 HZ1 LYS 33 HZ1 LYS 33 -9.627 -12.859 -4.624 263 HZ2 LYS 33 HZ2 LYS 33 -9.600 -13.879 -3.355 264 H GLY 34 HN GLY 34 -7.785 -9.405 -8.479 265 HA2 GLY 34 HA1 GLY 34 -8.205 -8.220 -10.846 266 HA3 GLY 34 HA2 GLY 34 -9.833 -8.698 -10.406 267 HA PRO 35 HA PRO 35 -8.593 -4.537 -8.507 268 HB2 PRO 35 HB2 PRO 35 -10.632 -3.109 -9.667 269 HB3 PRO 35 HB3 PRO 35 -9.073 -3.426 -10.496 270 HG2 PRO 35 HG2 PRO 35 -11.411 -4.875 -10.450 271 HG3 PRO 35 HG3 PRO 35 -10.950 -4.598 -12.161 272 HD2 PRO 35 HD2 PRO 35 -10.205 -6.887 -11.426 273 HD3 PRO 35 HD3 PRO 35 -8.770 -5.836 -11.625 274 H GLY 36 HN GLY 36 -9.382 -4.253 -6.419 275 HA2 GLY 36 HA1 GLY 36 -11.666 -3.738 -5.385 276 HA3 GLY 36 HA2 GLY 36 -12.049 -5.380 -5.864 277 H LYS 37 HN LYS 37 -12.351 -5.215 -3.296 278 HA LYS 37 HA LYS 37 -10.364 -5.077 -1.507 279 HB2 LYS 37 HB2 LYS 37 -12.873 -6.650 -1.713 280 HB3 LYS 37 HB3 LYS 37 -11.730 -7.194 -0.503 281 HG2 LYS 37 HG2 LYS 37 -11.589 -4.597 0.100 282 HG3 LYS 37 HG3 LYS 37 -13.139 -4.525 -0.714 283 HD2 LYS 37 HD2 LYS 37 -13.785 -6.569 0.816 284 HD3 LYS 37 HD3 LYS 37 -12.394 -6.101 1.773 285 HE2 LYS 37 HE2 LYS 37 -13.606 -4.461 2.764 286 HE3 LYS 37 HE3 LYS 37 -13.873 -3.699 1.209 287 HZ1 LYS 37 HZ1 LYS 37 -15.702 -5.490 0.953 288 HZ2 LYS 37 HZ2 LYS 37 -15.593 -5.674 2.567 289 H ILE 38 HN ILE 38 -8.733 -6.424 -0.632 290 HA ILE 38 HA ILE 38 -7.973 -8.607 -2.445 291 HB ILE 38 HB ILE 38 -6.212 -6.866 -0.716 292 HG12 ILE 38 HG12 ILE 38 -6.460 -6.841 -3.733 293 HG13 ILE 38 HG13 ILE 38 -7.325 -5.730 -2.690 294 HG21 ILE 38 HG21 ILE 38 -4.520 -8.005 -2.444 295 HG22 ILE 38 HG22 ILE 38 -4.927 -8.728 -0.870 296 HG23 ILE 38 HG23 ILE 38 -5.732 -9.305 -2.349 297 HD11 ILE 38 HD11 ILE 38 -4.451 -5.912 -2.022 298 HD12 ILE 38 HD12 ILE 38 -4.756 -5.337 -3.678 299 HD13 ILE 38 HD13 ILE 38 -5.465 -4.474 -2.292 300 H GLU 39 HN GLU 39 -7.813 -10.648 -1.628 301 HA GLU 39 HA GLU 39 -8.464 -10.896 1.176 302 HB2 GLU 39 HB2 GLU 39 -9.138 -12.348 -1.197 303 HB3 GLU 39 HB3 GLU 39 -8.218 -13.442 -0.184 304 HG2 GLU 39 HG2 GLU 39 -10.436 -11.769 1.035 305 HG3 GLU 39 HG3 GLU 39 -10.834 -13.231 0.154 306 HE2 GLU 39 HE2 GLU 39 -10.234 -15.237 2.651 307 H GLY 40 HN GLY 40 -6.893 -11.262 2.678 308 HA2 GLY 40 HA1 GLY 40 -5.107 -12.838 3.281 309 HA3 GLY 40 HA2 GLY 40 -4.372 -12.491 1.729 310 H PHE 41 HN PHE 41 -4.852 -9.642 1.607 311 HA PHE 41 HA PHE 41 -2.649 -8.765 3.119 312 HB2 PHE 41 HB2 PHE 41 -3.530 -7.882 0.884 313 HB3 PHE 41 HB3 PHE 41 -4.939 -7.258 1.718 314 HD1 PHE 41 HD2 PHE 41 -4.516 -5.526 3.589 315 HD2 PHE 41 HD1 PHE 41 -1.626 -6.556 0.657 316 HE1 PHE 41 HE2 PHE 41 -3.303 -3.374 4.030 317 HE2 PHE 41 HE1 PHE 41 -0.413 -4.403 1.097 318 HZ PHE 41 HZ PHE 41 -1.265 -2.838 2.779 319 H GLY 42 HN GLY 42 -2.513 -7.934 5.158 320 HA2 GLY 42 HA1 GLY 42 -4.845 -6.665 6.353 321 HA3 GLY 42 HA2 GLY 42 -4.304 -8.149 7.112 322 H LYS 43 HN LYS 43 -1.471 -7.934 6.705 323 HA LYS 43 HA LYS 43 -0.622 -5.378 7.673 324 HB2 LYS 43 HB2 LYS 43 -1.630 -6.705 9.679 325 HB3 LYS 43 HB3 LYS 43 -0.166 -7.663 9.580 326 HG2 LYS 43 HG2 LYS 43 0.804 -5.044 9.401 327 HG3 LYS 43 HG3 LYS 43 -0.532 -4.882 10.524 328 HD2 LYS 43 HD2 LYS 43 0.683 -7.202 11.444 329 HD3 LYS 43 HD3 LYS 43 2.064 -6.293 10.865 330 HE2 LYS 43 HE2 LYS 43 1.764 -4.563 12.415 331 HE3 LYS 43 HE3 LYS 43 0.032 -4.811 12.526 332 HZ1 LYS 43 HZ1 LYS 43 1.299 -7.140 13.450 333 HZ2 LYS 43 HZ2 LYS 43 2.011 -5.881 14.198 334 H GLU 44 HN GLU 44 0.694 -8.690 8.268 335 HA GLU 44 HA GLU 44 3.195 -8.321 7.656 336 HB2 GLU 44 HB2 GLU 44 2.908 -10.541 8.090 337 HB3 GLU 44 HB3 GLU 44 1.334 -10.590 7.322 338 HG2 GLU 44 HG2 GLU 44 2.254 -10.949 5.157 339 HG3 GLU 44 HG3 GLU 44 3.831 -10.339 5.617 340 HE2 GLU 44 HE2 GLU 44 5.024 -11.611 6.991 341 H MET 45 HN MET 45 0.677 -8.959 5.115 342 HA MET 45 HA MET 45 2.247 -8.933 2.933 343 HB2 MET 45 HB2 MET 45 -0.549 -7.825 3.467 344 HB3 MET 45 HB3 MET 45 0.123 -7.781 1.849 345 HG2 MET 45 HG2 MET 45 -0.233 -10.299 3.549 346 HG3 MET 45 HG3 MET 45 -1.257 -9.827 2.208 347 HE1 MET 45 HE1 MET 45 0.967 -12.936 1.284 348 HE2 MET 45 HE2 MET 45 1.698 -12.354 2.799 349 HE3 MET 45 HE3 MET 45 -0.073 -12.401 2.626 350 H ALA 46 HN ALA 46 0.639 -6.006 4.387 351 HA ALA 46 HA ALA 46 1.754 -4.157 2.656 352 HB1 ALA 46 HB1 ALA 46 1.414 -3.217 5.421 353 HB2 ALA 46 HB2 ALA 46 0.562 -2.728 3.937 354 HB3 ALA 46 HB3 ALA 46 0.028 -4.169 4.835 355 H HIS 47 HN HIS 47 2.993 -5.578 5.729 356 HA HIS 47 HA HIS 47 5.313 -3.920 5.682 357 HB2 HIS 47 HB2 HIS 47 4.617 -6.369 7.327 358 HB3 HIS 47 HB3 HIS 47 6.029 -5.362 7.582 359 HD1 HIS 47 HD1 HIS 47 3.218 -5.873 9.361 360 HD2 HIS 47 HD2 HIS 47 4.606 -2.389 7.481 361 HE1 HIS 47 HE1 HIS 47 2.088 -3.920 10.552 362 H GLY 48 HN GLY 48 4.363 -6.222 3.577 363 HA2 GLY 48 HA1 GLY 48 7.108 -6.889 2.879 364 HA3 GLY 48 HA2 GLY 48 6.075 -8.241 3.299 365 H LYS 49 HN LYS 49 5.622 -9.239 1.360 366 HA LYS 49 HA LYS 49 5.387 -7.884 -1.066 367 HB2 LYS 49 HB2 LYS 49 4.690 -9.986 -1.964 368 HB3 LYS 49 HB3 LYS 49 5.926 -10.299 -0.763 369 HG2 LYS 49 HG2 LYS 49 3.782 -10.483 0.866 370 HG3 LYS 49 HG3 LYS 49 2.968 -10.864 -0.639 371 HD2 LYS 49 HD2 LYS 49 3.937 -12.927 -0.774 372 HD3 LYS 49 HD3 LYS 49 5.528 -12.304 -0.385 373 HE2 LYS 49 HE2 LYS 49 3.683 -12.241 1.929 374 HE3 LYS 49 HE3 LYS 49 3.924 -13.859 1.302 375 HZ1 LYS 49 HZ1 LYS 49 6.143 -12.010 2.004 376 HZ2 LYS 49 HZ2 LYS 49 5.622 -13.223 2.958 377 H GLY 50 HN GLY 50 4.031 -6.027 -0.513 378 HA2 GLY 50 HA1 GLY 50 1.340 -6.409 -1.283 379 HA3 GLY 50 HA2 GLY 50 1.426 -6.211 0.456 380 H CYS 51 HN CYS 51 3.565 -4.410 0.779 381 HA CYS 51 HA CYS 51 2.857 -2.142 -0.904 382 HB2 CYS 51 HB2 CYS 51 2.921 -1.981 2.115 383 HB3 CYS 51 HB3 CYS 51 2.627 -0.661 1.001 384 H LYS 52 HN LYS 52 4.857 -3.301 1.913 385 HA LYS 52 HA LYS 52 7.015 -1.582 1.301 386 HB2 LYS 52 HB2 LYS 52 6.233 -3.275 3.414 387 HB3 LYS 52 HB3 LYS 52 7.766 -3.911 2.852 388 HG2 LYS 52 HG2 LYS 52 7.548 -0.923 3.146 389 HG3 LYS 52 HG3 LYS 52 7.604 -1.867 4.621 390 HD2 LYS 52 HD2 LYS 52 9.615 -2.511 2.466 391 HD3 LYS 52 HD3 LYS 52 9.847 -1.035 3.382 392 HE2 LYS 52 HE2 LYS 52 9.631 -2.425 5.519 393 HE3 LYS 52 HE3 LYS 52 9.624 -3.862 4.516 394 HZ1 LYS 52 HZ1 LYS 52 11.798 -2.264 3.730 395 HZ2 LYS 52 HZ2 LYS 52 11.856 -2.392 5.353 396 H GLY 53 HN GLY 53 6.363 -5.097 0.722 397 HA2 GLY 53 HA1 GLY 53 8.629 -6.015 -0.341 398 HA3 GLY 53 HA2 GLY 53 7.056 -6.377 -1.025 399 H CYS 54 HN CYS 54 6.233 -3.955 -2.142 400 HA CYS 54 HA CYS 54 7.856 -3.903 -4.463 401 HB2 CYS 54 HB2 CYS 54 5.371 -3.659 -4.482 402 HB3 CYS 54 HB3 CYS 54 5.537 -2.090 -3.718 403 H HIS 55 HN HIS 55 7.248 -1.781 -1.613 404 HA HIS 55 HA HIS 55 8.660 0.430 -2.529 405 HB2 HIS 55 HB2 HIS 55 8.116 -0.567 0.279 406 HB3 HIS 55 HB3 HIS 55 8.807 1.002 -0.086 407 HD1 HIS 55 HD1 HIS 55 6.079 0.741 1.382 408 HD2 HIS 55 HD2 HIS 55 6.502 1.245 -2.760 409 HE1 HIS 55 HE1 HIS 55 3.882 1.741 0.556 410 H GLU 56 HN GLU 56 9.693 -2.484 -0.660 411 HA GLU 56 HA GLU 56 12.367 -1.522 -0.530 412 HB2 GLU 56 HB2 GLU 56 12.734 -3.966 0.330 413 HB3 GLU 56 HB3 GLU 56 11.805 -2.854 1.316 414 HG2 GLU 56 HG2 GLU 56 9.840 -4.005 1.004 415 HG3 GLU 56 HG3 GLU 56 10.174 -4.326 -0.686 416 HE2 GLU 56 HE2 GLU 56 12.599 -6.592 0.025 417 H GLU 57 HN GLU 57 10.402 -3.462 -2.717 418 HA GLU 57 HA GLU 57 12.635 -4.727 -3.934 419 HB2 GLU 57 HB2 GLU 57 10.516 -5.888 -3.968 420 HB3 GLU 57 HB3 GLU 57 9.690 -4.509 -4.665 421 HG2 GLU 57 HG2 GLU 57 11.428 -4.792 -6.645 422 HG3 GLU 57 HG3 GLU 57 11.647 -6.405 -5.995 423 HE2 GLU 57 HE2 GLU 57 8.975 -6.589 -8.427 424 H MET 58 HN MET 58 10.714 -1.766 -4.394 425 HA MET 58 HA MET 58 12.115 -1.280 -6.889 426 HB2 MET 58 HB2 MET 58 9.784 0.153 -5.495 427 HB3 MET 58 HB3 MET 58 10.450 0.657 -7.036 428 HG2 MET 58 HG2 MET 58 9.994 -1.887 -7.723 429 HG3 MET 58 HG3 MET 58 8.867 -1.839 -6.382 430 HE1 MET 58 HE1 MET 58 9.180 -1.906 -9.665 431 HE2 MET 58 HE2 MET 58 7.436 -2.192 -9.456 432 HE3 MET 58 HE3 MET 58 8.001 -0.837 -10.462 433 H LYS 59 HN LYS 59 11.561 0.070 -3.593 434 HA LYS 59 HA LYS 59 12.868 1.365 -2.349 435 HB2 LYS 59 HB2 LYS 59 14.705 0.437 -4.330 436 HB3 LYS 59 HB3 LYS 59 15.016 2.142 -4.076 437 HG2 LYS 59 HG2 LYS 59 16.257 1.378 -2.299 438 HG3 LYS 59 HG3 LYS 59 14.708 1.380 -1.479 439 HD2 LYS 59 HD2 LYS 59 14.616 -0.905 -1.383 440 HD3 LYS 59 HD3 LYS 59 15.163 -1.092 -3.037 441 HE2 LYS 59 HE2 LYS 59 17.386 -0.073 -1.516 442 HE3 LYS 59 HE3 LYS 59 16.687 -1.390 -0.595 443 HZ1 LYS 59 HZ1 LYS 59 17.216 -1.716 -3.484 444 HZ2 LYS 59 HZ2 LYS 59 18.399 -1.974 -2.395 445 H LYS 60 HN LYS 60 10.633 2.382 -3.530 446 HA LYS 60 HA LYS 60 11.519 5.100 -4.170 447 HB2 LYS 60 HB2 LYS 60 9.458 3.453 -5.654 448 HB3 LYS 60 HB3 LYS 60 9.525 5.201 -5.752 449 HG2 LYS 60 HG2 LYS 60 11.914 3.398 -6.355 450 HG3 LYS 60 HG3 LYS 60 10.800 3.960 -7.586 451 HD2 LYS 60 HD2 LYS 60 11.316 6.356 -6.801 452 HD3 LYS 60 HD3 LYS 60 12.594 5.677 -5.813 453 HE2 LYS 60 HE2 LYS 60 13.726 4.765 -7.794 454 HE3 LYS 60 HE3 LYS 60 12.387 5.223 -8.827 455 HZ1 LYS 60 HZ1 LYS 60 12.901 7.502 -8.547 456 HZ2 LYS 60 HZ2 LYS 60 13.865 7.253 -7.259 457 H GLY 61 HN GLY 61 8.906 2.886 -3.033 458 HA2 GLY 61 HA1 GLY 61 7.376 5.023 -1.876 459 HA3 GLY 61 HA2 GLY 61 7.106 3.299 -1.715 460 HA PRO 62 HA PRO 62 8.800 4.973 2.296 461 HB2 PRO 62 HB2 PRO 62 6.673 4.415 3.878 462 HB3 PRO 62 HB3 PRO 62 6.673 5.845 2.796 463 HG2 PRO 62 HG2 PRO 62 5.114 3.094 1.963 464 HG3 PRO 62 HG3 PRO 62 4.904 4.853 2.248 465 HD2 PRO 62 HD2 PRO 62 5.816 3.576 -0.156 466 HD3 PRO 62 HD3 PRO 62 5.927 5.322 0.221 467 H THR 63 HN THR 63 10.054 3.583 3.573 468 HA THR 63 HA THR 63 9.128 0.808 3.780 469 HB THR 63 HB THR 63 11.752 0.360 3.451 470 HG1 THR 63 HG1 THR 63 12.714 2.159 2.570 471 HG21 THR 63 HG21 THR 63 9.498 0.286 1.682 472 HG22 THR 63 HG22 THR 63 10.822 1.064 0.783 473 HG23 THR 63 HG23 THR 63 11.052 -0.557 1.479 474 H LYS 64 HN LYS 64 9.087 3.232 5.568 475 HA LYS 64 HA LYS 64 10.556 1.951 7.752 476 HB2 LYS 64 HB2 LYS 64 11.264 4.422 6.560 477 HB3 LYS 64 HB3 LYS 64 10.522 4.814 8.098 478 HG2 LYS 64 HG2 LYS 64 12.691 2.687 7.793 479 HG3 LYS 64 HG3 LYS 64 13.044 4.362 8.170 480 HD2 LYS 64 HD2 LYS 64 12.737 3.841 10.358 481 HD3 LYS 64 HD3 LYS 64 11.026 3.693 10.010 482 HE2 LYS 64 HE2 LYS 64 11.337 1.279 9.449 483 HE3 LYS 64 HE3 LYS 64 13.056 1.421 9.760 484 HZ1 LYS 64 HZ1 LYS 64 11.773 0.570 11.692 485 HZ2 LYS 64 HZ2 LYS 64 12.585 1.932 12.063 486 H CYS 65 HN CYS 65 9.617 2.369 9.886 487 HA CYS 65 HA CYS 65 6.861 2.144 9.854 488 HB2 CYS 65 HB2 CYS 65 8.325 3.148 12.271 489 HB3 CYS 65 HB3 CYS 65 6.958 2.056 12.174 490 H GLY 66 HN GLY 66 9.086 4.940 10.252 491 HA2 GLY 66 HA1 GLY 66 6.872 6.769 10.747 492 HA3 GLY 66 HA2 GLY 66 8.585 7.135 10.749 493 H GLU 67 HN GLU 67 7.473 5.182 8.066 494 HA GLU 67 HA GLU 67 7.487 7.589 6.416 495 HB2 GLU 67 HB2 GLU 67 9.186 5.288 6.297 496 HB3 GLU 67 HB3 GLU 67 8.147 5.218 4.888 497 HG2 GLU 67 HG2 GLU 67 8.758 7.826 4.717 498 HG3 GLU 67 HG3 GLU 67 10.148 7.341 5.667 499 HE2 GLU 67 HE2 GLU 67 10.704 4.997 4.734 500 H CYS 68 HN CYS 68 5.512 5.309 7.755 501 HA CYS 68 HA CYS 68 3.710 5.438 5.459 502 HB2 CYS 68 HB2 CYS 68 4.801 3.026 6.699 503 HB3 CYS 68 HB3 CYS 68 3.049 3.046 6.737 504 H HIS 69 HN HIS 69 3.916 4.346 8.934 505 HA HIS 69 HA HIS 69 1.272 5.213 9.459 506 HB2 HIS 69 HB2 HIS 69 3.516 4.390 11.323 507 HB3 HIS 69 HB3 HIS 69 1.855 4.656 11.812 508 HD1 HIS 69 HD1 HIS 69 0.026 3.000 10.595 509 HD2 HIS 69 HD2 HIS 69 4.054 1.840 10.448 510 HE1 HIS 69 HE1 HIS 69 0.033 0.514 10.019 511 H LYS 70 HN LYS 70 0.716 7.336 9.452 512 HA LYS 70 HA LYS 70 2.249 9.109 11.146 513 HB2 LYS 70 HB2 LYS 70 3.371 9.296 8.954 514 HB3 LYS 70 HB3 LYS 70 1.846 9.716 8.201 515 HG2 LYS 70 HG2 LYS 70 2.902 11.812 8.634 516 HG3 LYS 70 HG3 LYS 70 1.688 11.661 9.889 517 HD2 LYS 70 HD2 LYS 70 3.559 12.293 11.149 518 HD3 LYS 70 HD3 LYS 70 3.629 10.549 11.295 519 HE2 LYS 70 HE2 LYS 70 5.679 10.529 10.326 520 HE3 LYS 70 HE3 LYS 70 5.018 11.253 8.873 521 HZ1 LYS 70 HZ1 LYS 70 6.511 12.515 10.981 522 HZ2 LYS 70 HZ2 LYS 70 6.282 13.017 9.449 523 H LYS 71 HN LYS 71 0.752 9.975 12.468 524 HA LYS 71 HA LYS 71 -1.959 9.745 12.094 525 HB2 LYS 71 HB2 LYS 71 -0.548 10.328 14.191 526 HB3 LYS 71 HB3 LYS 71 -0.716 11.993 13.673 527 HG2 LYS 71 HG2 LYS 71 -3.322 10.873 13.444 528 HG3 LYS 71 HG3 LYS 71 -2.687 10.260 14.958 529 HD2 LYS 71 HD2 LYS 71 -1.918 12.981 14.934 530 HD3 LYS 71 HD3 LYS 71 -3.539 12.986 14.269 531 HE2 LYS 71 HE2 LYS 71 -4.120 11.394 16.296 532 HE3 LYS 71 HE3 LYS 71 -2.622 11.987 16.986 533 HZ1 LYS 71 HZ1 LYS 71 -3.773 13.791 17.623 534 HZ2 LYS 71 HZ2 LYS 71 -3.982 14.226 16.067 Start of MODEL 5 1 H1 ALA 1 HN ALA 1 -10.801 10.863 -0.626 2 HA ALA 1 HA ALA 1 -11.738 10.898 -3.414 3 HB1 ALA 1 HB1 ALA 1 -8.995 11.681 -3.230 4 HB2 ALA 1 HB2 ALA 1 -10.390 12.662 -3.740 5 HB3 ALA 1 HB3 ALA 1 -9.906 12.626 -2.028 6 H ASP 2 HN ASP 2 -9.496 10.064 -4.731 7 HA ASP 2 HA ASP 2 -9.560 7.437 -4.664 8 HB2 ASP 2 HB2 ASP 2 -7.594 9.456 -5.499 9 HB3 ASP 2 HB3 ASP 2 -6.804 7.956 -5.057 10 HD2 ASP 2 HD2 ASP 2 -7.857 6.096 -7.539 11 H ASP 3 HN ASP 3 -7.408 9.561 -2.657 12 HA ASP 3 HA ASP 3 -5.763 7.883 -1.491 13 HB2 ASP 3 HB2 ASP 3 -5.801 10.190 -0.808 14 HB3 ASP 3 HB3 ASP 3 -7.457 10.079 -0.247 15 HD2 ASP 3 HD2 ASP 3 -6.466 11.016 1.665 16 H ILE 4 HN ILE 4 -5.983 5.919 -0.406 17 HA ILE 4 HA ILE 4 -8.593 5.380 0.824 18 HB ILE 4 HB ILE 4 -6.683 3.751 -0.750 19 HG12 ILE 4 HG12 ILE 4 -9.698 3.725 -0.426 20 HG13 ILE 4 HG13 ILE 4 -8.810 4.558 -1.686 21 HG21 ILE 4 HG21 ILE 4 -7.918 2.822 1.790 22 HG22 ILE 4 HG22 ILE 4 -8.005 1.724 0.392 23 HG23 ILE 4 HG23 ILE 4 -6.425 2.301 0.974 24 HD11 ILE 4 HD11 ILE 4 -7.734 2.109 -2.037 25 HD12 ILE 4 HD12 ILE 4 -9.287 1.617 -1.320 26 HD13 ILE 4 HD13 ILE 4 -9.263 2.586 -2.813 27 H VAL 5 HN VAL 5 -8.310 6.190 2.895 28 HA VAL 5 HA VAL 5 -5.874 5.773 4.307 29 HB VAL 5 HB VAL 5 -8.583 6.571 5.380 30 HG11 VAL 5 HG11 VAL 5 -7.419 6.501 7.306 31 HG12 VAL 5 HG12 VAL 5 -5.848 6.458 6.469 32 HG13 VAL 5 HG13 VAL 5 -6.675 8.012 6.730 33 HG21 VAL 5 HG21 VAL 5 -8.260 8.079 3.604 34 HG22 VAL 5 HG22 VAL 5 -7.650 8.943 5.036 35 HG23 VAL 5 HG23 VAL 5 -6.508 8.191 3.896 36 H LEU 6 HN LEU 6 -5.240 4.026 5.472 37 HA LEU 6 HA LEU 6 -7.199 1.887 5.769 38 HB2 LEU 6 HB2 LEU 6 -4.187 1.956 5.956 39 HB3 LEU 6 HB3 LEU 6 -5.153 0.542 6.330 40 HG LEU 6 HG LEU 6 -5.247 1.922 3.639 41 HD11 LEU 6 HD11 LEU 6 -2.980 0.768 4.615 42 HD12 LEU 6 HD12 LEU 6 -3.770 -0.620 3.828 43 HD13 LEU 6 HD13 LEU 6 -3.422 0.854 2.892 44 HD21 LEU 6 HD21 LEU 6 -6.885 -0.024 4.784 45 HD22 LEU 6 HD22 LEU 6 -6.777 0.417 3.063 46 HD23 LEU 6 HD23 LEU 6 -5.798 -0.926 3.701 47 H LYS 7 HN LYS 7 -7.510 0.804 7.816 48 HA LYS 7 HA LYS 7 -7.502 2.670 9.982 49 HB2 LYS 7 HB2 LYS 7 -8.623 0.810 11.198 50 HB3 LYS 7 HB3 LYS 7 -9.416 1.261 9.702 51 HG2 LYS 7 HG2 LYS 7 -8.932 -0.745 8.674 52 HG3 LYS 7 HG3 LYS 7 -7.344 -0.860 9.404 53 HD2 LYS 7 HD2 LYS 7 -8.861 -1.191 11.642 54 HD3 LYS 7 HD3 LYS 7 -9.993 -1.805 10.453 55 HE2 LYS 7 HE2 LYS 7 -7.135 -2.762 10.300 56 HE3 LYS 7 HE3 LYS 7 -8.140 -3.393 11.590 57 HZ1 LYS 7 HZ1 LYS 7 -9.478 -4.487 10.097 58 HZ2 LYS 7 HZ2 LYS 7 -9.300 -3.392 8.905 59 H ALA 8 HN ALA 8 -5.860 3.024 11.368 60 HA ALA 8 HA ALA 8 -4.326 0.845 12.374 61 HB1 ALA 8 HB1 ALA 8 -2.771 0.855 10.728 62 HB2 ALA 8 HB2 ALA 8 -3.337 2.412 10.079 63 HB3 ALA 8 HB3 ALA 8 -2.215 2.379 11.460 64 H LYS 9 HN LYS 9 -4.494 1.409 14.491 65 HA LYS 9 HA LYS 9 -4.768 4.108 15.290 66 HB2 LYS 9 HB2 LYS 9 -4.933 3.244 17.494 67 HB3 LYS 9 HB3 LYS 9 -5.747 2.104 16.443 68 HG2 LYS 9 HG2 LYS 9 -4.037 0.491 16.628 69 HG3 LYS 9 HG3 LYS 9 -2.812 1.678 17.028 70 HD2 LYS 9 HD2 LYS 9 -3.119 1.114 19.206 71 HD3 LYS 9 HD3 LYS 9 -4.661 1.942 19.123 72 HE2 LYS 9 HE2 LYS 9 -5.837 -0.013 19.191 73 HE3 LYS 9 HE3 LYS 9 -4.831 -0.758 17.965 74 HZ1 LYS 9 HZ1 LYS 9 -4.340 -0.668 20.877 75 HZ2 LYS 9 HZ2 LYS 9 -4.393 -1.976 19.909 76 H ASN 10 HN ASN 10 -2.095 2.302 14.223 77 HA ASN 10 HA ASN 10 -0.234 3.553 16.003 78 HB2 ASN 10 HB2 ASN 10 0.126 1.789 13.524 79 HB3 ASN 10 HB3 ASN 10 1.468 2.380 14.484 80 HD21 ASN 10 HD21 ASN 10 2.049 1.365 16.286 81 HD22 ASN 10 HD22 ASN 10 1.233 0.018 17.007 82 H GLY 11 HN GLY 11 -2.078 4.611 13.452 83 HA2 GLY 11 HA1 GLY 11 -1.541 6.925 12.785 84 HA3 GLY 11 HA2 GLY 11 0.061 6.348 12.370 85 H ASP 12 HN ASP 12 -3.072 6.977 11.188 86 HA ASP 12 HA ASP 12 -3.713 5.093 9.450 87 HB2 ASP 12 HB2 ASP 12 -3.918 8.034 9.531 88 HB3 ASP 12 HB3 ASP 12 -3.916 7.429 7.886 89 HD2 ASP 12 HD2 ASP 12 -5.945 8.587 8.484 90 H VAL 13 HN VAL 13 -3.181 4.646 7.145 91 HA VAL 13 HA VAL 13 -0.506 5.614 6.403 92 HB VAL 13 HB VAL 13 -1.732 2.898 5.883 93 HG11 VAL 13 HG11 VAL 13 1.080 3.915 5.347 94 HG12 VAL 13 HG12 VAL 13 0.464 2.277 5.022 95 HG13 VAL 13 HG13 VAL 13 -0.181 3.666 4.116 96 HG21 VAL 13 HG21 VAL 13 0.022 2.072 7.455 97 HG22 VAL 13 HG22 VAL 13 0.402 3.763 7.862 98 HG23 VAL 13 HG23 VAL 13 -1.206 3.098 8.234 99 H LYS 14 HN LYS 14 -1.528 7.398 5.269 100 HA LYS 14 HA LYS 14 -3.550 7.058 3.395 101 HB2 LYS 14 HB2 LYS 14 -3.098 9.236 4.184 102 HB3 LYS 14 HB3 LYS 14 -1.395 9.133 3.788 103 HG2 LYS 14 HG2 LYS 14 -2.622 8.655 1.320 104 HG3 LYS 14 HG3 LYS 14 -3.689 9.836 2.054 105 HD2 LYS 14 HD2 LYS 14 -2.202 11.494 1.634 106 HD3 LYS 14 HD3 LYS 14 -0.973 10.667 2.570 107 HE2 LYS 14 HE2 LYS 14 -0.584 9.187 0.471 108 HE3 LYS 14 HE3 LYS 14 -1.570 10.344 -0.401 109 HZ1 LYS 14 HZ1 LYS 14 0.926 10.996 1.073 110 HZ2 LYS 14 HZ2 LYS 14 0.764 10.952 -0.547 111 H LEU 15 HN LEU 15 -3.564 5.764 1.642 112 HA LEU 15 HA LEU 15 -0.996 5.359 0.282 113 HB2 LEU 15 HB2 LEU 15 -1.659 3.273 0.946 114 HB3 LEU 15 HB3 LEU 15 -3.368 3.632 0.795 115 HG LEU 15 HG LEU 15 -2.684 3.773 -1.807 116 HD11 LEU 15 HD11 LEU 15 -0.880 2.584 -2.459 117 HD12 LEU 15 HD12 LEU 15 -0.286 3.019 -0.838 118 HD13 LEU 15 HD13 LEU 15 -1.018 1.421 -1.119 119 HD21 LEU 15 HD21 LEU 15 -4.453 2.403 -1.414 120 HD22 LEU 15 HD22 LEU 15 -3.217 1.161 -1.727 121 HD23 LEU 15 HD23 LEU 15 -3.660 1.573 -0.053 122 HA PRO 16 HA PRO 16 -2.787 8.241 -2.630 123 HB2 PRO 16 HB2 PRO 16 -0.172 7.619 -3.978 124 HB3 PRO 16 HB3 PRO 16 -0.888 9.187 -3.484 125 HG2 PRO 16 HG2 PRO 16 1.216 8.122 -2.025 126 HG3 PRO 16 HG3 PRO 16 -0.218 9.074 -1.520 127 HD2 PRO 16 HD2 PRO 16 0.252 6.042 -1.437 128 HD3 PRO 16 HD3 PRO 16 -0.333 7.114 -0.129 129 H HIS 17 HN HIS 17 -4.219 6.063 -2.917 130 HA HIS 17 HA HIS 17 -3.598 4.091 -4.626 131 HB2 HIS 17 HB2 HIS 17 -5.742 4.478 -3.345 132 HB3 HIS 17 HB3 HIS 17 -6.255 5.543 -4.638 133 HD1 HIS 17 HD1 HIS 17 -7.479 4.462 -6.543 134 HD2 HIS 17 HD2 HIS 17 -5.209 1.706 -4.342 135 HE1 HIS 17 HE1 HIS 17 -8.030 2.159 -7.495 136 H LYS 18 HN LYS 18 -4.957 7.323 -5.587 137 HA LYS 18 HA LYS 18 -4.976 6.924 -8.294 138 HB2 LYS 18 HB2 LYS 18 -5.973 8.848 -7.137 139 HB3 LYS 18 HB3 LYS 18 -4.380 9.475 -6.766 140 HG2 LYS 18 HG2 LYS 18 -5.308 10.592 -8.770 141 HG3 LYS 18 HG3 LYS 18 -3.865 9.688 -9.183 142 HD2 LYS 18 HD2 LYS 18 -5.007 8.329 -10.607 143 HD3 LYS 18 HD3 LYS 18 -6.243 7.991 -9.411 144 HE2 LYS 18 HE2 LYS 18 -7.503 9.117 -11.031 145 HE3 LYS 18 HE3 LYS 18 -7.085 10.444 -9.967 146 HZ1 LYS 18 HZ1 LYS 18 -6.189 9.953 -12.663 147 HZ2 LYS 18 HZ2 LYS 18 -6.257 11.360 -11.847 148 H ALA 19 HN ALA 19 -2.318 8.591 -6.450 149 HA ALA 19 HA ALA 19 -0.526 8.728 -8.510 150 HB1 ALA 19 HB1 ALA 19 0.550 8.078 -5.806 151 HB2 ALA 19 HB2 ALA 19 0.915 9.446 -6.885 152 HB3 ALA 19 HB3 ALA 19 -0.567 9.461 -5.900 153 H HIS 20 HN HIS 20 -1.101 6.021 -6.179 154 HA HIS 20 HA HIS 20 0.969 4.422 -7.170 155 HB2 HIS 20 HB2 HIS 20 -1.440 4.021 -5.445 156 HB3 HIS 20 HB3 HIS 20 -0.657 2.597 -6.100 157 HD1 HIS 20 HD1 HIS 20 -0.013 5.531 -3.787 158 HD2 HIS 20 HD2 HIS 20 1.797 1.924 -4.934 159 HE1 HIS 20 HE1 HIS 20 1.915 5.149 -2.160 160 H GLN 21 HN GLN 21 -2.273 5.170 -8.319 161 HA GLN 21 HA GLN 21 -2.448 2.846 -9.943 162 HB2 GLN 21 HB2 GLN 21 -4.069 5.388 -9.649 163 HB3 GLN 21 HB3 GLN 21 -4.383 4.300 -10.986 164 HG2 GLN 21 HG2 GLN 21 -4.985 2.492 -9.534 165 HG3 GLN 21 HG3 GLN 21 -4.240 3.247 -8.139 166 HE21 GLN 21 HE21 GLN 21 -7.081 2.652 -9.737 167 HE22 GLN 21 HE22 GLN 21 -8.120 3.830 -9.007 168 H LYS 22 HN LYS 22 -0.811 5.884 -10.127 169 HA LYS 22 HA LYS 22 -0.632 5.658 -13.046 170 HB2 LYS 22 HB2 LYS 22 -1.019 7.889 -11.280 171 HB3 LYS 22 HB3 LYS 22 0.513 8.090 -12.107 172 HG2 LYS 22 HG2 LYS 22 -0.575 7.773 -14.300 173 HG3 LYS 22 HG3 LYS 22 -2.105 7.410 -13.527 174 HD2 LYS 22 HD2 LYS 22 -2.602 9.615 -13.249 175 HD3 LYS 22 HD3 LYS 22 -1.028 9.962 -12.560 176 HE2 LYS 22 HE2 LYS 22 -0.822 11.199 -14.507 177 HE3 LYS 22 HE3 LYS 22 -0.233 9.666 -15.118 178 HZ1 LYS 22 HZ1 LYS 22 -1.963 9.621 -16.527 179 HZ2 LYS 22 HZ2 LYS 22 -3.045 9.689 -15.312 180 H ALA 23 HN ALA 23 1.036 5.280 -9.997 181 HA ALA 23 HA ALA 23 3.651 5.461 -11.211 182 HB1 ALA 23 HB1 ALA 23 4.439 5.009 -8.943 183 HB2 ALA 23 HB2 ALA 23 3.171 6.258 -8.894 184 HB3 ALA 23 HB3 ALA 23 2.790 4.584 -8.425 185 H VAL 24 HN VAL 24 1.143 3.085 -10.577 186 HA VAL 24 HA VAL 24 3.036 0.991 -11.396 187 HB VAL 24 HB VAL 24 0.812 0.970 -9.369 188 HG11 VAL 24 HG11 VAL 24 1.477 -1.144 -11.225 189 HG12 VAL 24 HG12 VAL 24 1.860 -1.641 -9.560 190 HG13 VAL 24 HG13 VAL 24 0.216 -1.094 -9.970 191 HG21 VAL 24 HG21 VAL 24 3.356 -0.434 -8.854 192 HG22 VAL 24 HG22 VAL 24 3.512 1.324 -9.086 193 HG23 VAL 24 HG23 VAL 24 2.430 0.685 -7.825 194 HA PRO 25 HA PRO 25 -0.003 1.515 -14.759 195 HB2 PRO 25 HB2 PRO 25 2.296 0.444 -16.330 196 HB3 PRO 25 HB3 PRO 25 1.374 1.971 -16.512 197 HG2 PRO 25 HG2 PRO 25 4.009 2.102 -15.511 198 HG3 PRO 25 HG3 PRO 25 2.557 3.090 -15.145 199 HD2 PRO 25 HD2 PRO 25 3.651 0.621 -13.672 200 HD3 PRO 25 HD3 PRO 25 3.293 2.239 -12.996 201 H ASP 26 HN ASP 26 -0.460 -0.576 -13.022 202 HA ASP 26 HA ASP 26 -1.152 -2.606 -14.769 203 HB2 ASP 26 HB2 ASP 26 1.512 -2.832 -13.560 204 HB3 ASP 26 HB3 ASP 26 0.489 -4.162 -13.054 205 HD2 ASP 26 HD2 ASP 26 2.252 -5.454 -15.127 206 H CYS 27 HN CYS 27 -3.128 -2.110 -13.531 207 HA CYS 27 HA CYS 27 -3.154 -2.295 -10.716 208 HB2 CYS 27 HB2 CYS 27 -5.635 -2.668 -12.337 209 HB3 CYS 27 HB3 CYS 27 -5.397 -1.798 -10.834 210 H LYS 28 HN LYS 28 -1.805 -4.488 -11.052 211 HA LYS 28 HA LYS 28 -3.750 -6.621 -10.684 212 HB2 LYS 28 HB2 LYS 28 -2.050 -8.059 -12.101 213 HB3 LYS 28 HB3 LYS 28 -3.368 -7.190 -12.861 214 HG2 LYS 28 HG2 LYS 28 -1.842 -5.283 -13.361 215 HG3 LYS 28 HG3 LYS 28 -0.522 -6.115 -12.564 216 HD2 LYS 28 HD2 LYS 28 -1.928 -7.677 -14.696 217 HD3 LYS 28 HD3 LYS 28 -1.028 -6.282 -15.255 218 HE2 LYS 28 HE2 LYS 28 1.026 -7.190 -14.676 219 HE3 LYS 28 HE3 LYS 28 0.390 -8.014 -13.266 220 HZ1 LYS 28 HZ1 LYS 28 0.553 -8.969 -15.996 221 HZ2 LYS 28 HZ2 LYS 28 0.566 -9.821 -14.608 222 H LYS 29 HN LYS 29 -0.267 -5.623 -10.679 223 HA LYS 29 HA LYS 29 0.647 -7.576 -8.965 224 HB2 LYS 29 HB2 LYS 29 2.247 -6.293 -10.099 225 HB3 LYS 29 HB3 LYS 29 1.538 -4.771 -9.599 226 HG2 LYS 29 HG2 LYS 29 3.490 -5.037 -8.235 227 HG3 LYS 29 HG3 LYS 29 2.138 -5.402 -7.182 228 HD2 LYS 29 HD2 LYS 29 2.681 -7.642 -7.021 229 HD3 LYS 29 HD3 LYS 29 3.230 -7.742 -8.682 230 HE2 LYS 29 HE2 LYS 29 5.018 -5.977 -7.240 231 HE3 LYS 29 HE3 LYS 29 4.824 -7.446 -6.306 232 HZ1 LYS 29 HZ1 LYS 29 6.158 -7.096 -8.822 233 HZ2 LYS 29 HZ2 LYS 29 6.308 -8.311 -7.748 234 H CYS 30 HN CYS 30 -1.553 -4.951 -8.378 235 HA CYS 30 HA CYS 30 -1.112 -5.238 -5.500 236 HB2 CYS 30 HB2 CYS 30 -1.752 -2.952 -7.202 237 HB3 CYS 30 HB3 CYS 30 -2.898 -3.123 -5.887 238 H HIS 31 HN HIS 31 -3.382 -5.529 -8.243 239 HA HIS 31 HA HIS 31 -5.386 -6.564 -6.376 240 HB2 HIS 31 HB2 HIS 31 -5.656 -5.253 -9.087 241 HB3 HIS 31 HB3 HIS 31 -6.964 -6.148 -8.341 242 HD1 HIS 31 HD1 HIS 31 -7.674 -5.207 -5.829 243 HD2 HIS 31 HD2 HIS 31 -5.538 -2.617 -8.343 244 HE1 HIS 31 HE1 HIS 31 -8.035 -2.856 -4.906 245 H GLU 32 HN GLU 32 -5.263 -8.750 -6.238 246 HA GLU 32 HA GLU 32 -4.072 -10.248 -8.304 247 HB2 GLU 32 HB2 GLU 32 -3.838 -11.000 -6.017 248 HB3 GLU 32 HB3 GLU 32 -5.573 -11.016 -5.771 249 HG2 GLU 32 HG2 GLU 32 -5.754 -13.116 -6.615 250 HG3 GLU 32 HG3 GLU 32 -4.894 -12.670 -8.075 251 HE2 GLU 32 HE2 GLU 32 -3.033 -15.157 -6.944 252 H LYS 33 HN LYS 33 -7.056 -11.549 -6.915 253 HA LYS 33 HA LYS 33 -8.100 -12.573 -9.148 254 HB2 LYS 33 HB2 LYS 33 -9.475 -11.378 -6.738 255 HB3 LYS 33 HB3 LYS 33 -10.372 -12.189 -8.005 256 HG2 LYS 33 HG2 LYS 33 -9.939 -14.093 -6.818 257 HG3 LYS 33 HG3 LYS 33 -8.358 -14.019 -7.569 258 HD2 LYS 33 HD2 LYS 33 -7.365 -13.663 -5.562 259 HD3 LYS 33 HD3 LYS 33 -8.361 -12.250 -5.275 260 HE2 LYS 33 HE2 LYS 33 -9.421 -15.071 -4.825 261 HE3 LYS 33 HE3 LYS 33 -8.553 -14.204 -3.574 262 HZ1 LYS 33 HZ1 LYS 33 -10.799 -12.844 -4.893 263 HZ2 LYS 33 HZ2 LYS 33 -11.139 -13.977 -3.774 264 H GLY 34 HN GLY 34 -8.000 -9.146 -8.252 265 HA2 GLY 34 HA1 GLY 34 -8.120 -7.991 -10.626 266 HA3 GLY 34 HA2 GLY 34 -9.808 -8.412 -10.423 267 HA PRO 35 HA PRO 35 -8.684 -4.197 -8.524 268 HB2 PRO 35 HB2 PRO 35 -11.082 -3.597 -10.287 269 HB3 PRO 35 HB3 PRO 35 -9.617 -2.623 -9.937 270 HG2 PRO 35 HG2 PRO 35 -9.431 -4.082 -12.458 271 HG3 PRO 35 HG3 PRO 35 -8.422 -3.819 -10.999 272 HD2 PRO 35 HD2 PRO 35 -10.430 -6.122 -11.442 273 HD3 PRO 35 HD3 PRO 35 -8.650 -6.273 -11.547 274 H GLY 36 HN GLY 36 -9.496 -4.079 -6.432 275 HA2 GLY 36 HA1 GLY 36 -11.897 -3.526 -5.553 276 HA3 GLY 36 HA2 GLY 36 -12.152 -5.214 -5.945 277 H LYS 37 HN LYS 37 -12.515 -5.685 -3.667 278 HA LYS 37 HA LYS 37 -10.613 -5.075 -1.700 279 HB2 LYS 37 HB2 LYS 37 -11.952 -6.330 -0.260 280 HB3 LYS 37 HB3 LYS 37 -13.083 -5.714 -1.448 281 HG2 LYS 37 HG2 LYS 37 -13.037 -7.856 -2.673 282 HG3 LYS 37 HG3 LYS 37 -11.791 -8.477 -1.609 283 HD2 LYS 37 HD2 LYS 37 -13.500 -7.990 0.327 284 HD3 LYS 37 HD3 LYS 37 -14.697 -7.881 -0.948 285 HE2 LYS 37 HE2 LYS 37 -12.863 -10.285 -0.496 286 HE3 LYS 37 HE3 LYS 37 -14.525 -10.188 0.051 287 HZ1 LYS 37 HZ1 LYS 37 -14.388 -11.313 -2.093 288 HZ2 LYS 37 HZ2 LYS 37 -15.207 -9.919 -2.287 289 H ILE 38 HN ILE 38 -9.047 -6.440 -0.649 290 HA ILE 38 HA ILE 38 -8.083 -8.563 -2.437 291 HB ILE 38 HB ILE 38 -6.471 -6.844 -0.549 292 HG12 ILE 38 HG12 ILE 38 -6.608 -6.622 -3.566 293 HG13 ILE 38 HG13 ILE 38 -7.531 -5.600 -2.482 294 HG21 ILE 38 HG21 ILE 38 -4.733 -8.164 -0.970 295 HG22 ILE 38 HG22 ILE 38 -5.884 -9.323 -1.677 296 HG23 ILE 38 HG23 ILE 38 -5.051 -8.147 -2.722 297 HD11 ILE 38 HD11 ILE 38 -5.728 -4.249 -2.284 298 HD12 ILE 38 HD12 ILE 38 -4.859 -5.580 -1.484 299 HD13 ILE 38 HD13 ILE 38 -4.745 -5.376 -3.248 300 H GLU 39 HN GLU 39 -7.800 -10.602 -1.609 301 HA GLU 39 HA GLU 39 -8.621 -10.885 1.161 302 HB2 GLU 39 HB2 GLU 39 -9.863 -12.112 -0.682 303 HB3 GLU 39 HB3 GLU 39 -8.406 -13.036 -0.989 304 HG2 GLU 39 HG2 GLU 39 -8.606 -13.384 1.720 305 HG3 GLU 39 HG3 GLU 39 -10.302 -13.189 1.324 306 HE2 GLU 39 HE2 GLU 39 -11.094 -15.095 -0.353 307 H GLY 40 HN GLY 40 -6.973 -11.024 2.619 308 HA2 GLY 40 HA1 GLY 40 -5.237 -12.703 3.276 309 HA3 GLY 40 HA2 GLY 40 -4.482 -12.351 1.734 310 H PHE 41 HN PHE 41 -4.935 -9.513 1.591 311 HA PHE 41 HA PHE 41 -2.784 -8.646 3.203 312 HB2 PHE 41 HB2 PHE 41 -3.473 -7.800 0.898 313 HB3 PHE 41 HB3 PHE 41 -4.946 -7.157 1.594 314 HD1 PHE 41 HD2 PHE 41 -4.608 -5.439 3.552 315 HD2 PHE 41 HD1 PHE 41 -1.625 -6.418 0.697 316 HE1 PHE 41 HE2 PHE 41 -3.433 -3.276 4.039 317 HE2 PHE 41 HE1 PHE 41 -0.450 -4.254 1.184 318 HZ PHE 41 HZ PHE 41 -1.367 -2.709 2.849 319 H GLY 42 HN GLY 42 -2.751 -7.180 4.969 320 HA2 GLY 42 HA1 GLY 42 -5.095 -5.994 6.033 321 HA3 GLY 42 HA2 GLY 42 -4.731 -7.477 6.892 322 H LYS 43 HN LYS 43 -1.808 -7.373 6.557 323 HA LYS 43 HA LYS 43 -0.914 -4.874 7.594 324 HB2 LYS 43 HB2 LYS 43 -2.079 -5.982 9.570 325 HB3 LYS 43 HB3 LYS 43 -0.824 -7.203 9.523 326 HG2 LYS 43 HG2 LYS 43 0.603 -4.778 9.382 327 HG3 LYS 43 HG3 LYS 43 -0.693 -4.430 10.509 328 HD2 LYS 43 HD2 LYS 43 0.481 -7.078 11.017 329 HD3 LYS 43 HD3 LYS 43 1.700 -5.820 11.071 330 HE2 LYS 43 HE2 LYS 43 0.975 -5.598 13.246 331 HE3 LYS 43 HE3 LYS 43 -0.243 -4.574 12.513 332 HZ1 LYS 43 HZ1 LYS 43 -1.495 -6.851 12.256 333 HZ2 LYS 43 HZ2 LYS 43 -0.531 -7.332 13.477 334 H GLU 44 HN GLU 44 0.204 -8.239 8.290 335 HA GLU 44 HA GLU 44 2.760 -7.962 7.803 336 HB2 GLU 44 HB2 GLU 44 2.228 -10.133 8.385 337 HB3 GLU 44 HB3 GLU 44 0.843 -10.204 7.314 338 HG2 GLU 44 HG2 GLU 44 2.088 -10.943 5.519 339 HG3 GLU 44 HG3 GLU 44 3.468 -9.941 5.924 340 HE2 GLU 44 HE2 GLU 44 2.065 -12.989 6.361 341 H MET 45 HN MET 45 0.353 -8.679 5.172 342 HA MET 45 HA MET 45 2.011 -8.777 3.070 343 HB2 MET 45 HB2 MET 45 -0.784 -7.636 3.465 344 HB3 MET 45 HB3 MET 45 -0.047 -7.543 1.878 345 HG2 MET 45 HG2 MET 45 -0.460 -10.112 3.487 346 HG3 MET 45 HG3 MET 45 -1.436 -9.602 2.124 347 HE1 MET 45 HE1 MET 45 -0.886 -10.797 -0.244 348 HE2 MET 45 HE2 MET 45 -0.556 -9.052 -0.128 349 HE3 MET 45 HE3 MET 45 0.607 -10.125 -0.942 350 H ALA 46 HN ALA 46 0.579 -5.769 4.511 351 HA ALA 46 HA ALA 46 1.746 -4.002 2.694 352 HB1 ALA 46 HB1 ALA 46 0.987 -3.554 5.609 353 HB2 ALA 46 HB2 ALA 46 1.162 -2.304 4.354 354 HB3 ALA 46 HB3 ALA 46 -0.147 -3.504 4.238 355 H HIS 47 HN HIS 47 2.843 -5.226 5.923 356 HA HIS 47 HA HIS 47 5.218 -3.712 5.876 357 HB2 HIS 47 HB2 HIS 47 4.448 -6.175 7.466 358 HB3 HIS 47 HB3 HIS 47 5.877 -5.204 7.761 359 HD1 HIS 47 HD1 HIS 47 2.994 -5.684 9.456 360 HD2 HIS 47 HD2 HIS 47 4.553 -2.199 7.717 361 HE1 HIS 47 HE1 HIS 47 1.895 -3.726 10.669 362 H GLY 48 HN GLY 48 4.201 -6.213 3.894 363 HA2 GLY 48 HA1 GLY 48 6.974 -6.831 3.167 364 HA3 GLY 48 HA2 GLY 48 5.906 -8.162 3.567 365 H LYS 49 HN LYS 49 5.519 -9.143 1.599 366 HA LYS 49 HA LYS 49 5.336 -7.779 -0.820 367 HB2 LYS 49 HB2 LYS 49 5.244 -10.463 0.115 368 HB3 LYS 49 HB3 LYS 49 3.822 -10.223 -0.881 369 HG2 LYS 49 HG2 LYS 49 5.409 -9.120 -2.614 370 HG3 LYS 49 HG3 LYS 49 6.731 -9.763 -1.660 371 HD2 LYS 49 HD2 LYS 49 6.496 -11.636 -2.946 372 HD3 LYS 49 HD3 LYS 49 5.138 -12.004 -1.901 373 HE2 LYS 49 HE2 LYS 49 3.610 -11.610 -3.555 374 HE3 LYS 49 HE3 LYS 49 4.395 -10.124 -4.050 375 HZ1 LYS 49 HZ1 LYS 49 5.271 -12.858 -4.818 376 HZ2 LYS 49 HZ2 LYS 49 4.553 -11.778 -5.803 377 H GLY 50 HN GLY 50 3.996 -5.912 -0.394 378 HA2 GLY 50 HA1 GLY 50 1.328 -6.235 -1.197 379 HA3 GLY 50 HA2 GLY 50 1.356 -6.074 0.547 380 H CYS 51 HN CYS 51 3.572 -4.325 0.917 381 HA CYS 51 HA CYS 51 2.899 -2.003 -0.705 382 HB2 CYS 51 HB2 CYS 51 2.982 -1.901 2.316 383 HB3 CYS 51 HB3 CYS 51 2.683 -0.563 1.225 384 H LYS 52 HN LYS 52 4.879 -3.261 2.083 385 HA LYS 52 HA LYS 52 7.074 -1.575 1.476 386 HB2 LYS 52 HB2 LYS 52 6.251 -3.249 3.597 387 HB3 LYS 52 HB3 LYS 52 7.782 -3.898 3.047 388 HG2 LYS 52 HG2 LYS 52 7.576 -0.907 3.333 389 HG3 LYS 52 HG3 LYS 52 7.632 -1.852 4.808 390 HD2 LYS 52 HD2 LYS 52 9.639 -2.487 2.644 391 HD3 LYS 52 HD3 LYS 52 9.877 -1.025 3.582 392 HE2 LYS 52 HE2 LYS 52 10.735 -2.249 5.286 393 HE3 LYS 52 HE3 LYS 52 9.212 -3.101 5.450 394 HZ1 LYS 52 HZ1 LYS 52 11.253 -4.497 4.895 395 HZ2 LYS 52 HZ2 LYS 52 9.943 -4.774 3.968 396 H GLY 53 HN GLY 53 6.378 -5.097 0.965 397 HA2 GLY 53 HA1 GLY 53 8.622 -6.052 -0.105 398 HA3 GLY 53 HA2 GLY 53 7.041 -6.412 -0.768 399 H CYS 54 HN CYS 54 6.253 -3.953 -1.888 400 HA CYS 54 HA CYS 54 7.847 -3.976 -4.238 401 HB2 CYS 54 HB2 CYS 54 5.359 -3.701 -4.227 402 HB3 CYS 54 HB3 CYS 54 5.561 -2.116 -3.508 403 H HIS 55 HN HIS 55 7.256 -1.775 -1.438 404 HA HIS 55 HA HIS 55 8.697 0.393 -2.394 405 HB2 HIS 55 HB2 HIS 55 8.158 -0.545 0.435 406 HB3 HIS 55 HB3 HIS 55 8.864 1.008 0.038 407 HD1 HIS 55 HD1 HIS 55 6.151 0.827 1.529 408 HD2 HIS 55 HD2 HIS 55 6.537 1.205 -2.631 409 HE1 HIS 55 HE1 HIS 55 3.957 1.829 0.695 410 H GLU 56 HN GLU 56 9.711 -2.497 -0.479 411 HA GLU 56 HA GLU 56 12.393 -1.561 -0.367 412 HB2 GLU 56 HB2 GLU 56 12.742 -4.002 0.507 413 HB3 GLU 56 HB3 GLU 56 11.818 -2.880 1.486 414 HG2 GLU 56 HG2 GLU 56 9.848 -4.023 1.182 415 HG3 GLU 56 HG3 GLU 56 10.177 -4.348 -0.508 416 HE2 GLU 56 HE2 GLU 56 12.008 -6.160 -0.721 417 H GLU 57 HN GLU 57 10.410 -3.508 -2.536 418 HA GLU 57 HA GLU 57 12.629 -4.798 -3.749 419 HB2 GLU 57 HB2 GLU 57 10.527 -5.957 -3.807 420 HB3 GLU 57 HB3 GLU 57 9.679 -4.561 -4.440 421 HG2 GLU 57 HG2 GLU 57 10.052 -6.165 -6.257 422 HG3 GLU 57 HG3 GLU 57 10.998 -4.722 -6.562 423 HE2 GLU 57 HE2 GLU 57 11.174 -8.009 -5.733 424 H MET 58 HN MET 58 10.619 -1.889 -4.342 425 HA MET 58 HA MET 58 12.071 -1.410 -6.795 426 HB2 MET 58 HB2 MET 58 9.728 0.002 -5.407 427 HB3 MET 58 HB3 MET 58 10.423 0.572 -6.912 428 HG2 MET 58 HG2 MET 58 10.002 -1.960 -7.692 429 HG3 MET 58 HG3 MET 58 8.827 -1.943 -6.393 430 HE1 MET 58 HE1 MET 58 9.414 -1.875 -9.598 431 HE2 MET 58 HE2 MET 58 7.669 -1.849 -9.949 432 HE3 MET 58 HE3 MET 58 8.700 -0.493 -10.465 433 H LYS 59 HN LYS 59 11.550 -0.033 -3.509 434 HA LYS 59 HA LYS 59 12.870 1.268 -2.285 435 HB2 LYS 59 HB2 LYS 59 14.688 0.321 -4.279 436 HB3 LYS 59 HB3 LYS 59 15.012 2.023 -4.021 437 HG2 LYS 59 HG2 LYS 59 16.253 1.252 -2.248 438 HG3 LYS 59 HG3 LYS 59 14.706 1.245 -1.424 439 HD2 LYS 59 HD2 LYS 59 14.864 -0.995 -1.139 440 HD3 LYS 59 HD3 LYS 59 14.857 -1.219 -2.877 441 HE2 LYS 59 HE2 LYS 59 17.279 -1.058 -3.000 442 HE3 LYS 59 HE3 LYS 59 17.393 -0.490 -1.347 443 HZ1 LYS 59 HZ1 LYS 59 17.899 -2.831 -1.405 444 HZ2 LYS 59 HZ2 LYS 59 16.463 -2.683 -0.650 445 H LYS 60 HN LYS 60 10.627 2.253 -3.571 446 HA LYS 60 HA LYS 60 11.529 4.966 -4.231 447 HB2 LYS 60 HB2 LYS 60 10.087 3.125 -5.908 448 HB3 LYS 60 HB3 LYS 60 9.046 4.480 -5.522 449 HG2 LYS 60 HG2 LYS 60 10.151 5.665 -7.111 450 HG3 LYS 60 HG3 LYS 60 11.531 5.694 -6.031 451 HD2 LYS 60 HD2 LYS 60 11.534 3.117 -7.291 452 HD3 LYS 60 HD3 LYS 60 11.234 4.292 -8.556 453 HE2 LYS 60 HE2 LYS 60 13.463 4.724 -8.571 454 HE3 LYS 60 HE3 LYS 60 13.263 5.486 -7.006 455 HZ1 LYS 60 HZ1 LYS 60 13.515 3.142 -6.066 456 HZ2 LYS 60 HZ2 LYS 60 14.041 2.681 -7.536 457 H GLY 61 HN GLY 61 8.948 2.804 -2.941 458 HA2 GLY 61 HA1 GLY 61 7.484 5.001 -1.789 459 HA3 GLY 61 HA2 GLY 61 7.173 3.286 -1.604 460 HA PRO 62 HA PRO 62 9.017 4.954 2.343 461 HB2 PRO 62 HB2 PRO 62 6.914 4.461 3.985 462 HB3 PRO 62 HB3 PRO 62 6.932 5.888 2.898 463 HG2 PRO 62 HG2 PRO 62 5.182 3.234 2.102 464 HG3 PRO 62 HG3 PRO 62 5.206 4.996 2.438 465 HD2 PRO 62 HD2 PRO 62 5.931 3.618 -0.013 466 HD3 PRO 62 HD3 PRO 62 6.103 5.364 0.339 467 H THR 63 HN THR 63 10.127 3.576 3.806 468 HA THR 63 HA THR 63 9.189 0.813 3.969 469 HB THR 63 HB THR 63 11.790 0.287 3.635 470 HG1 THR 63 HG1 THR 63 11.190 2.797 2.231 471 HG21 THR 63 HG21 THR 63 10.906 1.035 0.965 472 HG22 THR 63 HG22 THR 63 11.064 -0.597 1.658 473 HG23 THR 63 HG23 THR 63 9.543 0.308 1.851 474 H LYS 64 HN LYS 64 9.097 3.160 5.772 475 HA LYS 64 HA LYS 64 10.564 1.893 7.955 476 HB2 LYS 64 HB2 LYS 64 11.278 4.401 6.762 477 HB3 LYS 64 HB3 LYS 64 10.660 4.711 8.371 478 HG2 LYS 64 HG2 LYS 64 12.752 2.570 7.777 479 HG3 LYS 64 HG3 LYS 64 13.166 4.210 8.236 480 HD2 LYS 64 HD2 LYS 64 13.026 3.517 10.396 481 HD3 LYS 64 HD3 LYS 64 11.288 3.487 10.179 482 HE2 LYS 64 HE2 LYS 64 11.372 1.255 10.603 483 HE3 LYS 64 HE3 LYS 64 12.122 1.060 9.032 484 HZ1 LYS 64 HZ1 LYS 64 14.192 0.859 9.975 485 HZ2 LYS 64 HZ2 LYS 64 13.880 1.844 11.234 486 H CYS 65 HN CYS 65 9.640 2.405 10.091 487 HA CYS 65 HA CYS 65 6.877 2.242 10.050 488 HB2 CYS 65 HB2 CYS 65 8.364 3.256 12.449 489 HB3 CYS 65 HB3 CYS 65 6.962 2.208 12.374 490 H GLY 66 HN GLY 66 9.170 4.990 10.441 491 HA2 GLY 66 HA1 GLY 66 6.998 6.881 10.868 492 HA3 GLY 66 HA2 GLY 66 8.720 7.204 10.884 493 H GLU 67 HN GLU 67 7.620 5.231 8.219 494 HA GLU 67 HA GLU 67 7.703 7.609 6.529 495 HB2 GLU 67 HB2 GLU 67 9.112 5.006 6.349 496 HB3 GLU 67 HB3 GLU 67 8.361 5.505 4.846 497 HG2 GLU 67 HG2 GLU 67 9.481 7.785 5.139 498 HG3 GLU 67 HG3 GLU 67 10.346 7.121 6.511 499 HE2 GLU 67 HE2 GLU 67 12.656 6.994 4.799 500 H CYS 68 HN CYS 68 5.647 5.422 7.885 501 HA CYS 68 HA CYS 68 3.880 5.553 5.562 502 HB2 CYS 68 HB2 CYS 68 4.919 3.133 6.808 503 HB3 CYS 68 HB3 CYS 68 3.170 3.189 6.898 504 H HIS 69 HN HIS 69 4.031 4.515 9.057 505 HA HIS 69 HA HIS 69 1.399 5.442 9.540 506 HB2 HIS 69 HB2 HIS 69 3.611 4.591 11.431 507 HB3 HIS 69 HB3 HIS 69 1.958 4.919 11.913 508 HD1 HIS 69 HD1 HIS 69 0.078 3.303 10.712 509 HD2 HIS 69 HD2 HIS 69 4.067 2.008 10.611 510 HE1 HIS 69 HE1 HIS 69 0.006 0.808 10.182 511 H LYS 70 HN LYS 70 0.910 7.583 9.454 512 HA LYS 70 HA LYS 70 2.419 9.348 11.172 513 HB2 LYS 70 HB2 LYS 70 3.672 9.478 9.066 514 HB3 LYS 70 HB3 LYS 70 2.205 9.865 8.191 515 HG2 LYS 70 HG2 LYS 70 3.255 11.974 8.614 516 HG3 LYS 70 HG3 LYS 70 1.931 11.886 9.758 517 HD2 LYS 70 HD2 LYS 70 3.767 12.616 11.077 518 HD3 LYS 70 HD3 LYS 70 3.650 10.906 11.439 519 HE2 LYS 70 HE2 LYS 70 5.925 11.028 10.990 520 HE3 LYS 70 HE3 LYS 70 5.345 10.682 9.373 521 HZ1 LYS 70 HZ1 LYS 70 5.213 13.455 9.734 522 HZ2 LYS 70 HZ2 LYS 70 6.686 12.992 10.251 523 H LYS 71 HN LYS 71 0.842 10.177 12.427 524 HA LYS 71 HA LYS 71 -1.853 10.125 11.706 525 HB2 LYS 71 HB2 LYS 71 -1.459 10.118 13.988 526 HB3 LYS 71 HB3 LYS 71 -0.241 11.374 13.904 527 HG2 LYS 71 HG2 LYS 71 -1.784 13.057 14.066 528 HG3 LYS 71 HG3 LYS 71 -2.885 12.287 12.942 529 HD2 LYS 71 HD2 LYS 71 -3.991 11.087 14.613 530 HD3 LYS 71 HD3 LYS 71 -2.578 11.004 15.646 531 HE2 LYS 71 HE2 LYS 71 -3.693 12.620 16.846 532 HE3 LYS 71 HE3 LYS 71 -2.965 13.702 15.675 533 HZ1 LYS 71 HZ1 LYS 71 -5.466 12.517 14.812 534 HZ2 LYS 71 HZ2 LYS 71 -5.612 13.522 16.085 Start of MODEL 6 1 H1 ALA 1 HN ALA 1 -11.966 11.689 -1.501 2 HA ALA 1 HA ALA 1 -11.870 10.627 -3.840 3 HB1 ALA 1 HB1 ALA 1 -9.805 12.231 -2.368 4 HB2 ALA 1 HB2 ALA 1 -9.399 11.632 -3.993 5 HB3 ALA 1 HB3 ALA 1 -10.818 12.681 -3.761 6 H ASP 2 HN ASP 2 -9.486 9.881 -4.966 7 HA ASP 2 HA ASP 2 -9.410 7.261 -4.803 8 HB2 ASP 2 HB2 ASP 2 -7.637 9.328 -5.726 9 HB3 ASP 2 HB3 ASP 2 -6.643 8.129 -4.923 10 HD2 ASP 2 HD2 ASP 2 -8.540 5.845 -6.153 11 H ASP 3 HN ASP 3 -7.694 9.587 -2.636 12 HA ASP 3 HA ASP 3 -5.979 8.122 -1.300 13 HB2 ASP 3 HB2 ASP 3 -6.487 10.441 -0.698 14 HB3 ASP 3 HB3 ASP 3 -8.087 9.997 -0.140 15 HD2 ASP 3 HD2 ASP 3 -5.691 10.712 2.381 16 H ILE 4 HN ILE 4 -6.036 6.173 -0.159 17 HA ILE 4 HA ILE 4 -8.652 5.343 0.892 18 HB ILE 4 HB ILE 4 -6.641 3.919 -0.758 19 HG12 ILE 4 HG12 ILE 4 -9.657 3.814 -0.478 20 HG13 ILE 4 HG13 ILE 4 -8.744 4.613 -1.743 21 HG21 ILE 4 HG21 ILE 4 -6.331 2.483 1.020 22 HG22 ILE 4 HG22 ILE 4 -7.982 2.717 1.643 23 HG23 ILE 4 HG23 ILE 4 -7.713 1.733 0.184 24 HD11 ILE 4 HD11 ILE 4 -9.115 1.650 -1.258 25 HD12 ILE 4 HD12 ILE 4 -9.314 2.575 -2.765 26 HD13 ILE 4 HD13 ILE 4 -7.683 2.227 -2.144 27 H VAL 5 HN VAL 5 -8.321 6.197 2.974 28 HA VAL 5 HA VAL 5 -5.884 5.712 4.362 29 HB VAL 5 HB VAL 5 -8.565 6.533 5.481 30 HG11 VAL 5 HG11 VAL 5 -6.455 5.899 6.926 31 HG12 VAL 5 HG12 VAL 5 -5.902 7.523 6.452 32 HG13 VAL 5 HG13 VAL 5 -7.437 7.327 7.333 33 HG21 VAL 5 HG21 VAL 5 -6.849 8.780 4.997 34 HG22 VAL 5 HG22 VAL 5 -7.049 7.870 3.480 35 HG23 VAL 5 HG23 VAL 5 -8.480 8.457 4.361 36 H LEU 6 HN LEU 6 -5.276 3.936 5.499 37 HA LEU 6 HA LEU 6 -7.268 1.824 5.763 38 HB2 LEU 6 HB2 LEU 6 -4.256 1.834 5.973 39 HB3 LEU 6 HB3 LEU 6 -5.256 0.430 6.288 40 HG LEU 6 HG LEU 6 -5.347 1.888 3.644 41 HD11 LEU 6 HD11 LEU 6 -3.413 1.036 2.952 42 HD12 LEU 6 HD12 LEU 6 -3.069 0.638 4.653 43 HD13 LEU 6 HD13 LEU 6 -3.813 -0.578 3.588 44 HD21 LEU 6 HD21 LEU 6 -5.822 -0.826 3.271 45 HD22 LEU 6 HD22 LEU 6 -6.664 -0.439 4.791 46 HD23 LEU 6 HD23 LEU 6 -7.034 0.477 3.310 47 H LYS 7 HN LYS 7 -7.279 0.545 7.836 48 HA LYS 7 HA LYS 7 -7.360 2.428 10.027 49 HB2 LYS 7 HB2 LYS 7 -8.170 -0.491 9.980 50 HB3 LYS 7 HB3 LYS 7 -8.587 0.703 11.193 51 HG2 LYS 7 HG2 LYS 7 -9.402 1.892 8.769 52 HG3 LYS 7 HG3 LYS 7 -9.822 0.202 8.568 53 HD2 LYS 7 HD2 LYS 7 -11.491 0.304 10.130 54 HD3 LYS 7 HD3 LYS 7 -10.511 1.223 11.255 55 HE2 LYS 7 HE2 LYS 7 -11.833 3.004 10.738 56 HE3 LYS 7 HE3 LYS 7 -10.958 3.079 9.221 57 HZ1 LYS 7 HZ1 LYS 7 -13.456 1.529 9.661 58 HZ2 LYS 7 HZ2 LYS 7 -13.353 2.933 8.842 59 H ALA 8 HN ALA 8 -5.785 2.672 11.522 60 HA ALA 8 HA ALA 8 -4.212 0.477 12.385 61 HB1 ALA 8 HB1 ALA 8 -2.887 0.649 10.467 62 HB2 ALA 8 HB2 ALA 8 -3.091 2.414 10.361 63 HB3 ALA 8 HB3 ALA 8 -2.030 1.715 11.607 64 H LYS 9 HN LYS 9 -4.445 0.959 14.522 65 HA LYS 9 HA LYS 9 -4.685 3.623 15.434 66 HB2 LYS 9 HB2 LYS 9 -4.857 2.659 17.609 67 HB3 LYS 9 HB3 LYS 9 -5.717 1.613 16.499 68 HG2 LYS 9 HG2 LYS 9 -4.165 -0.108 16.681 69 HG3 LYS 9 HG3 LYS 9 -2.815 0.984 16.921 70 HD2 LYS 9 HD2 LYS 9 -3.975 1.533 19.227 71 HD3 LYS 9 HD3 LYS 9 -4.863 0.047 18.956 72 HE2 LYS 9 HE2 LYS 9 -2.923 -0.567 20.243 73 HE3 LYS 9 HE3 LYS 9 -2.616 -1.132 18.613 74 HZ1 LYS 9 HZ1 LYS 9 -0.717 0.053 18.816 75 HZ2 LYS 9 HZ2 LYS 9 -1.612 1.391 18.570 76 H ASN 10 HN ASN 10 -2.019 1.817 14.335 77 HA ASN 10 HA ASN 10 -0.178 3.030 16.174 78 HB2 ASN 10 HB2 ASN 10 0.263 1.266 13.707 79 HB3 ASN 10 HB3 ASN 10 1.544 1.789 14.781 80 HD21 ASN 10 HD21 ASN 10 2.059 0.544 16.414 81 HD22 ASN 10 HD22 ASN 10 1.105 -0.727 17.102 82 H GLY 11 HN GLY 11 -1.956 4.149 13.639 83 HA2 GLY 11 HA1 GLY 11 -1.322 6.431 12.954 84 HA3 GLY 11 HA2 GLY 11 0.249 5.783 12.528 85 H ASP 12 HN ASP 12 -2.886 6.518 11.386 86 HA ASP 12 HA ASP 12 -3.536 4.617 9.629 87 HB2 ASP 12 HB2 ASP 12 -3.800 7.574 9.750 88 HB3 ASP 12 HB3 ASP 12 -3.937 6.929 8.126 89 HD2 ASP 12 HD2 ASP 12 -6.906 7.427 10.055 90 H VAL 13 HN VAL 13 -3.167 4.506 7.178 91 HA VAL 13 HA VAL 13 -0.492 5.489 6.464 92 HB VAL 13 HB VAL 13 -1.685 2.828 5.673 93 HG11 VAL 13 HG11 VAL 13 1.072 2.694 5.443 94 HG12 VAL 13 HG12 VAL 13 -0.080 2.945 4.109 95 HG13 VAL 13 HG13 VAL 13 0.698 4.344 4.889 96 HG21 VAL 13 HG21 VAL 13 0.146 3.563 7.961 97 HG22 VAL 13 HG22 VAL 13 -1.337 2.579 7.984 98 HG23 VAL 13 HG23 VAL 13 0.149 1.933 7.246 99 H LYS 14 HN LYS 14 -1.502 7.338 5.466 100 HA LYS 14 HA LYS 14 -3.594 7.107 3.630 101 HB2 LYS 14 HB2 LYS 14 -3.182 9.223 4.590 102 HB3 LYS 14 HB3 LYS 14 -1.484 9.198 4.160 103 HG2 LYS 14 HG2 LYS 14 -2.793 8.885 1.688 104 HG3 LYS 14 HG3 LYS 14 -3.807 10.027 2.547 105 HD2 LYS 14 HD2 LYS 14 -1.141 10.861 3.076 106 HD3 LYS 14 HD3 LYS 14 -1.157 10.434 1.377 107 HE2 LYS 14 HE2 LYS 14 -1.870 12.656 1.256 108 HE3 LYS 14 HE3 LYS 14 -3.417 11.836 1.329 109 HZ1 LYS 14 HZ1 LYS 14 -3.197 12.151 3.853 110 HZ2 LYS 14 HZ2 LYS 14 -2.023 13.232 3.529 111 H LEU 15 HN LEU 15 -3.520 5.740 1.913 112 HA LEU 15 HA LEU 15 -1.003 5.609 0.429 113 HB2 LEU 15 HB2 LEU 15 -1.587 3.463 0.990 114 HB3 LEU 15 HB3 LEU 15 -3.307 3.763 0.848 115 HG LEU 15 HG LEU 15 -2.514 4.106 -1.745 116 HD11 LEU 15 HD11 LEU 15 -0.199 3.231 -0.769 117 HD12 LEU 15 HD12 LEU 15 -0.977 1.652 -1.036 118 HD13 LEU 15 HD13 LEU 15 -0.777 2.787 -2.393 119 HD21 LEU 15 HD21 LEU 15 -4.239 2.707 -1.815 120 HD22 LEU 15 HD22 LEU 15 -3.083 1.378 -1.562 121 HD23 LEU 15 HD23 LEU 15 -3.912 2.113 -0.169 122 HA PRO 16 HA PRO 16 -2.928 8.318 -2.499 123 HB2 PRO 16 HB2 PRO 16 -0.712 8.535 -4.119 124 HB3 PRO 16 HB3 PRO 16 -0.846 9.352 -2.528 125 HG2 PRO 16 HG2 PRO 16 0.890 6.755 -3.056 126 HG3 PRO 16 HG3 PRO 16 0.819 8.384 -2.308 127 HD2 PRO 16 HD2 PRO 16 0.023 5.814 -1.175 128 HD3 PRO 16 HD3 PRO 16 -0.121 7.432 -0.423 129 H HIS 17 HN HIS 17 -4.191 6.037 -2.857 130 HA HIS 17 HA HIS 17 -3.469 4.161 -4.600 131 HB2 HIS 17 HB2 HIS 17 -5.660 4.406 -3.402 132 HB3 HIS 17 HB3 HIS 17 -6.170 5.534 -4.642 133 HD1 HIS 17 HD1 HIS 17 -7.195 4.560 -6.734 134 HD2 HIS 17 HD2 HIS 17 -5.146 1.695 -4.456 135 HE1 HIS 17 HE1 HIS 17 -7.691 2.300 -7.812 136 H LYS 18 HN LYS 18 -4.967 7.328 -5.581 137 HA LYS 18 HA LYS 18 -4.919 7.032 -8.264 138 HB2 LYS 18 HB2 LYS 18 -5.862 8.961 -7.101 139 HB3 LYS 18 HB3 LYS 18 -4.262 9.516 -6.652 140 HG2 LYS 18 HG2 LYS 18 -5.063 10.743 -8.639 141 HG3 LYS 18 HG3 LYS 18 -3.655 9.784 -9.048 142 HD2 LYS 18 HD2 LYS 18 -4.822 8.575 -10.578 143 HD3 LYS 18 HD3 LYS 18 -6.072 8.190 -9.412 144 HE2 LYS 18 HE2 LYS 18 -6.929 10.632 -9.811 145 HE3 LYS 18 HE3 LYS 18 -5.895 10.626 -11.226 146 HZ1 LYS 18 HZ1 LYS 18 -8.307 9.043 -10.732 147 HZ2 LYS 18 HZ2 LYS 18 -7.816 9.759 -12.110 148 H ALA 19 HN ALA 19 -2.191 8.489 -6.345 149 HA ALA 19 HA ALA 19 -0.399 8.649 -8.417 150 HB1 ALA 19 HB1 ALA 19 -0.361 9.416 -5.883 151 HB2 ALA 19 HB2 ALA 19 0.515 7.884 -5.653 152 HB3 ALA 19 HB3 ALA 19 1.159 9.120 -6.759 153 H HIS 20 HN HIS 20 -0.936 5.918 -6.088 154 HA HIS 20 HA HIS 20 1.017 4.273 -7.189 155 HB2 HIS 20 HB2 HIS 20 -1.402 3.851 -5.464 156 HB3 HIS 20 HB3 HIS 20 -0.560 2.457 -6.109 157 HD1 HIS 20 HD1 HIS 20 -0.113 5.350 -3.720 158 HD2 HIS 20 HD2 HIS 20 1.951 1.915 -4.958 159 HE1 HIS 20 HE1 HIS 20 1.813 5.042 -2.076 160 H GLN 21 HN GLN 21 -2.175 5.199 -8.296 161 HA GLN 21 HA GLN 21 -2.455 2.900 -9.964 162 HB2 GLN 21 HB2 GLN 21 -4.046 5.392 -9.406 163 HB3 GLN 21 HB3 GLN 21 -4.356 4.551 -10.912 164 HG2 GLN 21 HG2 GLN 21 -4.607 2.395 -9.535 165 HG3 GLN 21 HG3 GLN 21 -4.546 3.393 -8.095 166 HE21 GLN 21 HE21 GLN 21 -6.016 5.407 -8.252 167 HE22 GLN 21 HE22 GLN 21 -7.645 5.125 -8.768 168 H LYS 22 HN LYS 22 -0.653 5.799 -10.065 169 HA LYS 22 HA LYS 22 -0.644 5.779 -12.999 170 HB2 LYS 22 HB2 LYS 22 -1.285 7.898 -11.715 171 HB3 LYS 22 HB3 LYS 22 0.390 7.986 -11.209 172 HG2 LYS 22 HG2 LYS 22 0.582 9.218 -13.153 173 HG3 LYS 22 HG3 LYS 22 0.824 7.629 -13.851 174 HD2 LYS 22 HD2 LYS 22 -1.577 7.483 -14.443 175 HD3 LYS 22 HD3 LYS 22 -1.891 9.017 -13.655 176 HE2 LYS 22 HE2 LYS 22 0.210 8.892 -15.833 177 HE3 LYS 22 HE3 LYS 22 -1.483 8.909 -16.287 178 HZ1 LYS 22 HZ1 LYS 22 0.050 11.099 -15.539 179 HZ2 LYS 22 HZ2 LYS 22 -1.550 11.097 -15.843 180 H ALA 23 HN ALA 23 1.306 5.527 -10.011 181 HA ALA 23 HA ALA 23 3.789 5.433 -11.400 182 HB1 ALA 23 HB1 ALA 23 4.541 4.553 -9.099 183 HB2 ALA 23 HB2 ALA 23 3.831 6.184 -9.148 184 HB3 ALA 23 HB3 ALA 23 2.856 4.806 -8.583 185 H VAL 24 HN VAL 24 1.263 3.118 -10.454 186 HA VAL 24 HA VAL 24 2.920 1.001 -11.644 187 HB VAL 24 HB VAL 24 1.113 0.996 -9.241 188 HG11 VAL 24 HG11 VAL 24 0.223 -0.892 -10.216 189 HG12 VAL 24 HG12 VAL 24 1.712 -1.265 -11.118 190 HG13 VAL 24 HG13 VAL 24 1.623 -1.595 -9.371 191 HG21 VAL 24 HG21 VAL 24 3.680 -0.503 -9.348 192 HG22 VAL 24 HG22 VAL 24 3.791 1.273 -9.401 193 HG23 VAL 24 HG23 VAL 24 2.971 0.472 -8.039 194 HA PRO 25 HA PRO 25 -0.610 1.917 -14.449 195 HB2 PRO 25 HB2 PRO 25 1.364 0.468 -16.219 196 HB3 PRO 25 HB3 PRO 25 0.432 1.976 -16.495 197 HG2 PRO 25 HG2 PRO 25 3.129 2.166 -15.883 198 HG3 PRO 25 HG3 PRO 25 1.728 3.184 -15.416 199 HD2 PRO 25 HD2 PRO 25 3.163 0.979 -13.838 200 HD3 PRO 25 HD3 PRO 25 2.734 2.632 -13.304 201 H ASP 26 HN ASP 26 1.100 -0.956 -13.297 202 HA ASP 26 HA ASP 26 -0.811 -2.660 -14.623 203 HB2 ASP 26 HB2 ASP 26 0.966 -3.944 -12.661 204 HB3 ASP 26 HB3 ASP 26 0.752 -4.303 -14.363 205 HD2 ASP 26 HD2 ASP 26 2.764 -2.705 -12.136 206 H CYS 27 HN CYS 27 -2.807 -2.469 -13.508 207 HA CYS 27 HA CYS 27 -2.803 -2.284 -10.644 208 HB2 CYS 27 HB2 CYS 27 -5.302 -2.719 -12.217 209 HB3 CYS 27 HB3 CYS 27 -5.030 -1.742 -10.788 210 H LYS 28 HN LYS 28 -1.465 -4.569 -11.124 211 HA LYS 28 HA LYS 28 -3.467 -6.637 -10.575 212 HB2 LYS 28 HB2 LYS 28 -1.016 -7.337 -12.150 213 HB3 LYS 28 HB3 LYS 28 -2.568 -8.147 -12.076 214 HG2 LYS 28 HG2 LYS 28 -3.379 -5.754 -13.103 215 HG3 LYS 28 HG3 LYS 28 -1.737 -5.773 -13.712 216 HD2 LYS 28 HD2 LYS 28 -2.490 -8.345 -14.303 217 HD3 LYS 28 HD3 LYS 28 -4.044 -7.544 -14.413 218 HE2 LYS 28 HE2 LYS 28 -3.378 -6.177 -16.206 219 HE3 LYS 28 HE3 LYS 28 -1.683 -6.234 -15.764 220 HZ1 LYS 28 HZ1 LYS 28 -1.529 -8.462 -16.595 221 HZ2 LYS 28 HZ2 LYS 28 -3.140 -8.614 -16.774 222 H LYS 29 HN LYS 29 0.065 -5.791 -10.527 223 HA LYS 29 HA LYS 29 0.887 -7.617 -8.682 224 HB2 LYS 29 HB2 LYS 29 2.449 -6.244 -9.870 225 HB3 LYS 29 HB3 LYS 29 1.790 -4.772 -9.184 226 HG2 LYS 29 HG2 LYS 29 3.744 -5.199 -7.890 227 HG3 LYS 29 HG3 LYS 29 2.424 -5.726 -6.866 228 HD2 LYS 29 HD2 LYS 29 2.964 -7.975 -7.073 229 HD3 LYS 29 HD3 LYS 29 3.551 -7.799 -8.715 230 HE2 LYS 29 HE2 LYS 29 5.683 -7.701 -7.950 231 HE3 LYS 29 HE3 LYS 29 5.300 -6.248 -7.048 232 HZ1 LYS 29 HZ1 LYS 29 5.841 -7.651 -5.332 233 HZ2 LYS 29 HZ2 LYS 29 4.261 -8.039 -5.410 234 H CYS 30 HN CYS 30 -1.268 -4.886 -8.250 235 HA CYS 30 HA CYS 30 -0.992 -5.139 -5.354 236 HB2 CYS 30 HB2 CYS 30 -1.561 -2.906 -7.145 237 HB3 CYS 30 HB3 CYS 30 -2.776 -3.049 -5.890 238 H HIS 31 HN HIS 31 -3.151 -5.504 -8.181 239 HA HIS 31 HA HIS 31 -5.219 -6.516 -6.372 240 HB2 HIS 31 HB2 HIS 31 -5.398 -5.280 -9.127 241 HB3 HIS 31 HB3 HIS 31 -6.730 -6.146 -8.387 242 HD1 HIS 31 HD1 HIS 31 -7.483 -5.120 -5.912 243 HD2 HIS 31 HD2 HIS 31 -5.314 -2.618 -8.488 244 HE1 HIS 31 HE1 HIS 31 -7.866 -2.737 -5.085 245 H GLU 32 HN GLU 32 -5.048 -8.696 -6.173 246 HA GLU 32 HA GLU 32 -3.829 -10.211 -8.230 247 HB2 GLU 32 HB2 GLU 32 -5.094 -10.834 -5.554 248 HB3 GLU 32 HB3 GLU 32 -4.719 -12.145 -6.654 249 HG2 GLU 32 HG2 GLU 32 -2.414 -10.467 -6.651 250 HG3 GLU 32 HG3 GLU 32 -2.911 -10.585 -4.975 251 HE2 GLU 32 HE2 GLU 32 -3.097 -12.891 -7.563 252 H LYS 33 HN LYS 33 -6.711 -11.576 -6.700 253 HA LYS 33 HA LYS 33 -7.802 -12.698 -8.859 254 HB2 LYS 33 HB2 LYS 33 -9.101 -11.486 -6.419 255 HB3 LYS 33 HB3 LYS 33 -10.052 -12.307 -7.640 256 HG2 LYS 33 HG2 LYS 33 -9.562 -14.119 -6.273 257 HG3 LYS 33 HG3 LYS 33 -8.190 -14.211 -7.360 258 HD2 LYS 33 HD2 LYS 33 -6.682 -13.473 -5.760 259 HD3 LYS 33 HD3 LYS 33 -7.846 -12.413 -4.989 260 HE2 LYS 33 HE2 LYS 33 -9.039 -14.591 -4.188 261 HE3 LYS 33 HE3 LYS 33 -7.578 -15.430 -4.673 262 HZ1 LYS 33 HZ1 LYS 33 -6.468 -14.600 -2.898 263 HZ2 LYS 33 HZ2 LYS 33 -7.070 -13.095 -3.054 264 H GLY 34 HN GLY 34 -7.799 -9.240 -8.064 265 HA2 GLY 34 HA1 GLY 34 -8.074 -8.220 -10.521 266 HA3 GLY 34 HA2 GLY 34 -9.738 -8.603 -10.128 267 HA PRO 35 HA PRO 35 -8.501 -4.359 -8.483 268 HB2 PRO 35 HB2 PRO 35 -10.893 -3.621 -10.153 269 HB3 PRO 35 HB3 PRO 35 -9.279 -2.851 -10.018 270 HG2 PRO 35 HG2 PRO 35 -9.544 -4.485 -12.458 271 HG3 PRO 35 HG3 PRO 35 -8.342 -4.223 -11.152 272 HD2 PRO 35 HD2 PRO 35 -10.635 -6.289 -11.108 273 HD3 PRO 35 HD3 PRO 35 -8.925 -6.676 -11.467 274 H GLY 36 HN GLY 36 -9.319 -3.961 -6.428 275 HA2 GLY 36 HA1 GLY 36 -11.632 -3.318 -5.502 276 HA3 GLY 36 HA2 GLY 36 -12.019 -4.989 -5.859 277 H LYS 37 HN LYS 37 -12.371 -5.454 -3.596 278 HA LYS 37 HA LYS 37 -10.477 -4.915 -1.620 279 HB2 LYS 37 HB2 LYS 37 -11.837 -6.177 -0.209 280 HB3 LYS 37 HB3 LYS 37 -12.954 -5.552 -1.406 281 HG2 LYS 37 HG2 LYS 37 -12.913 -7.681 -2.639 282 HG3 LYS 37 HG3 LYS 37 -11.654 -8.309 -1.594 283 HD2 LYS 37 HD2 LYS 37 -13.157 -8.945 -0.010 284 HD3 LYS 37 HD3 LYS 37 -13.919 -7.367 0.001 285 HE2 LYS 37 HE2 LYS 37 -15.547 -7.977 -1.538 286 HE3 LYS 37 HE3 LYS 37 -14.480 -9.062 -2.406 287 HZ1 LYS 37 HZ1 LYS 37 -15.240 -9.811 0.326 288 HZ2 LYS 37 HZ2 LYS 37 -16.358 -9.998 -0.844 289 H ILE 38 HN ILE 38 -8.896 -6.261 -0.598 290 HA ILE 38 HA ILE 38 -7.966 -8.418 -2.363 291 HB ILE 38 HB ILE 38 -6.297 -6.646 -0.578 292 HG12 ILE 38 HG12 ILE 38 -6.492 -6.496 -3.594 293 HG13 ILE 38 HG13 ILE 38 -7.446 -5.479 -2.532 294 HG21 ILE 38 HG21 ILE 38 -5.550 -9.042 -1.189 295 HG22 ILE 38 HG22 ILE 38 -5.302 -8.385 -2.825 296 HG23 ILE 38 HG23 ILE 38 -4.412 -7.698 -1.445 297 HD11 ILE 38 HD11 ILE 38 -4.421 -5.670 -2.260 298 HD12 ILE 38 HD12 ILE 38 -5.204 -4.506 -3.356 299 HD13 ILE 38 HD13 ILE 38 -5.506 -4.421 -1.604 300 H GLU 39 HN GLU 39 -7.668 -10.431 -1.485 301 HA GLU 39 HA GLU 39 -8.441 -10.642 1.300 302 HB2 GLU 39 HB2 GLU 39 -9.270 -12.046 -0.923 303 HB3 GLU 39 HB3 GLU 39 -8.041 -13.124 -0.293 304 HG2 GLU 39 HG2 GLU 39 -9.327 -12.507 2.039 305 HG3 GLU 39 HG3 GLU 39 -10.660 -12.314 0.918 306 HE2 GLU 39 HE2 GLU 39 -9.686 -15.319 -0.588 307 H GLY 40 HN GLY 40 -7.005 -11.240 2.893 308 HA2 GLY 40 HA1 GLY 40 -5.175 -12.633 3.572 309 HA3 GLY 40 HA2 GLY 40 -4.407 -12.346 2.023 310 H PHE 41 HN PHE 41 -4.827 -9.524 1.745 311 HA PHE 41 HA PHE 41 -2.664 -8.566 3.216 312 HB2 PHE 41 HB2 PHE 41 -3.635 -7.728 1.001 313 HB3 PHE 41 HB3 PHE 41 -5.027 -7.118 1.875 314 HD1 PHE 41 HD2 PHE 41 -4.634 -5.309 3.633 315 HD2 PHE 41 HD1 PHE 41 -1.703 -6.418 0.772 316 HE1 PHE 41 HE2 PHE 41 -3.446 -3.130 4.006 317 HE2 PHE 41 HE1 PHE 41 -0.515 -4.239 1.145 318 HZ PHE 41 HZ PHE 41 -1.400 -2.621 2.757 319 H GLY 42 HN GLY 42 -2.722 -8.524 5.442 320 HA2 GLY 42 HA1 GLY 42 -4.909 -6.945 6.644 321 HA3 GLY 42 HA2 GLY 42 -4.425 -8.487 7.321 322 H LYS 43 HN LYS 43 -1.518 -8.048 6.549 323 HA LYS 43 HA LYS 43 -0.631 -5.688 7.799 324 HB2 LYS 43 HB2 LYS 43 -1.577 -7.370 9.690 325 HB3 LYS 43 HB3 LYS 43 0.060 -7.982 9.562 326 HG2 LYS 43 HG2 LYS 43 0.555 -5.277 9.586 327 HG3 LYS 43 HG3 LYS 43 -0.904 -5.332 10.555 328 HD2 LYS 43 HD2 LYS 43 1.022 -7.460 11.274 329 HD3 LYS 43 HD3 LYS 43 1.691 -5.852 11.469 330 HE2 LYS 43 HE2 LYS 43 -0.371 -5.211 12.804 331 HE3 LYS 43 HE3 LYS 43 -0.918 -6.872 12.691 332 HZ1 LYS 43 HZ1 LYS 43 0.756 -5.904 14.611 333 HZ2 LYS 43 HZ2 LYS 43 0.537 -7.484 14.286 334 H GLU 44 HN GLU 44 0.605 -9.083 8.051 335 HA GLU 44 HA GLU 44 3.114 -8.683 7.407 336 HB2 GLU 44 HB2 GLU 44 2.463 -10.909 7.869 337 HB3 GLU 44 HB3 GLU 44 1.237 -10.921 6.617 338 HG2 GLU 44 HG2 GLU 44 3.040 -12.235 5.746 339 HG3 GLU 44 HG3 GLU 44 3.135 -10.703 4.900 340 HE2 GLU 44 HE2 GLU 44 4.719 -9.141 5.996 341 H MET 45 HN MET 45 0.445 -8.988 4.975 342 HA MET 45 HA MET 45 1.932 -8.898 2.715 343 HB2 MET 45 HB2 MET 45 -0.817 -7.866 3.500 344 HB3 MET 45 HB3 MET 45 -0.229 -7.521 1.886 345 HG2 MET 45 HG2 MET 45 -1.344 -9.565 1.551 346 HG3 MET 45 HG3 MET 45 0.307 -10.105 1.781 347 HE1 MET 45 HE1 MET 45 0.031 -12.625 4.282 348 HE2 MET 45 HE2 MET 45 -0.824 -12.752 2.726 349 HE3 MET 45 HE3 MET 45 0.737 -11.901 2.817 350 H ALA 46 HN ALA 46 0.460 -6.032 4.415 351 HA ALA 46 HA ALA 46 1.610 -4.116 2.766 352 HB1 ALA 46 HB1 ALA 46 -0.245 -3.606 4.232 353 HB2 ALA 46 HB2 ALA 46 0.707 -4.044 5.671 354 HB3 ALA 46 HB3 ALA 46 1.137 -2.599 4.726 355 H HIS 47 HN HIS 47 2.798 -5.734 5.760 356 HA HIS 47 HA HIS 47 5.184 -4.147 5.748 357 HB2 HIS 47 HB2 HIS 47 4.399 -6.561 7.406 358 HB3 HIS 47 HB3 HIS 47 5.815 -5.564 7.674 359 HD1 HIS 47 HD1 HIS 47 2.943 -6.038 9.386 360 HD2 HIS 47 HD2 HIS 47 4.449 -2.579 7.553 361 HE1 HIS 47 HE1 HIS 47 1.819 -4.065 10.550 362 H GLY 48 HN GLY 48 4.174 -6.308 3.586 363 HA2 GLY 48 HA1 GLY 48 6.878 -7.183 2.971 364 HA3 GLY 48 HA2 GLY 48 5.730 -8.459 3.324 365 H LYS 49 HN LYS 49 5.241 -9.379 1.360 366 HA LYS 49 HA LYS 49 5.183 -7.927 -1.038 367 HB2 LYS 49 HB2 LYS 49 4.595 -10.682 -0.133 368 HB3 LYS 49 HB3 LYS 49 3.731 -10.177 -1.571 369 HG2 LYS 49 HG2 LYS 49 5.810 -9.594 -2.710 370 HG3 LYS 49 HG3 LYS 49 6.742 -9.806 -1.241 371 HD2 LYS 49 HD2 LYS 49 6.414 -12.193 -1.246 372 HD3 LYS 49 HD3 LYS 49 5.125 -12.095 -2.430 373 HE2 LYS 49 HE2 LYS 49 6.600 -12.188 -4.157 374 HE3 LYS 49 HE3 LYS 49 7.539 -10.859 -3.507 375 HZ1 LYS 49 HZ1 LYS 49 8.673 -12.445 -2.043 376 HZ2 LYS 49 HZ2 LYS 49 7.788 -13.684 -2.619 377 H GLY 50 HN GLY 50 3.884 -6.038 -0.315 378 HA2 GLY 50 HA1 GLY 50 1.182 -6.308 -1.195 379 HA3 GLY 50 HA2 GLY 50 1.271 -6.114 0.544 380 H CYS 51 HN CYS 51 3.432 -4.391 0.923 381 HA CYS 51 HA CYS 51 2.854 -2.101 -0.784 382 HB2 CYS 51 HB2 CYS 51 2.889 -1.925 2.234 383 HB3 CYS 51 HB3 CYS 51 2.630 -0.610 1.104 384 H LYS 52 HN LYS 52 4.761 -3.340 2.062 385 HA LYS 52 HA LYS 52 6.993 -1.704 1.493 386 HB2 LYS 52 HB2 LYS 52 6.115 -3.401 3.578 387 HB3 LYS 52 HB3 LYS 52 7.653 -4.049 3.045 388 HG2 LYS 52 HG2 LYS 52 7.462 -1.062 3.365 389 HG3 LYS 52 HG3 LYS 52 7.476 -2.023 4.831 390 HD2 LYS 52 HD2 LYS 52 9.521 -2.746 2.758 391 HD3 LYS 52 HD3 LYS 52 9.746 -1.204 3.559 392 HE2 LYS 52 HE2 LYS 52 9.653 -2.319 5.782 393 HE3 LYS 52 HE3 LYS 52 9.360 -3.866 5.011 394 HZ1 LYS 52 HZ1 LYS 52 11.611 -4.003 5.086 395 HZ2 LYS 52 HZ2 LYS 52 11.602 -3.059 3.760 396 H GLY 53 HN GLY 53 6.260 -5.212 0.936 397 HA2 GLY 53 HA1 GLY 53 8.509 -6.177 -0.119 398 HA3 GLY 53 HA2 GLY 53 6.930 -6.521 -0.798 399 H CYS 54 HN CYS 54 6.162 -4.065 -1.918 400 HA CYS 54 HA CYS 54 7.773 -4.079 -4.252 401 HB2 CYS 54 HB2 CYS 54 5.286 -3.773 -4.245 402 HB3 CYS 54 HB3 CYS 54 5.509 -2.192 -3.524 403 H HIS 55 HN HIS 55 7.217 -1.913 -1.423 404 HA HIS 55 HA HIS 55 8.677 0.255 -2.359 405 HB2 HIS 55 HB2 HIS 55 8.104 -0.713 0.453 406 HB3 HIS 55 HB3 HIS 55 8.859 0.826 0.092 407 HD1 HIS 55 HD1 HIS 55 6.132 0.706 1.556 408 HD2 HIS 55 HD2 HIS 55 6.560 1.133 -2.595 409 HE1 HIS 55 HE1 HIS 55 3.975 1.786 0.722 410 H GLU 56 HN GLU 56 9.656 -2.657 -0.455 411 HA GLU 56 HA GLU 56 12.348 -1.757 -0.342 412 HB2 GLU 56 HB2 GLU 56 12.658 -4.220 0.505 413 HB3 GLU 56 HB3 GLU 56 11.778 -3.080 1.503 414 HG2 GLU 56 HG2 GLU 56 9.764 -4.153 1.197 415 HG3 GLU 56 HG3 GLU 56 10.088 -4.511 -0.487 416 HE2 GLU 56 HE2 GLU 56 10.701 -7.256 2.245 417 H GLU 57 HN GLU 57 10.342 -3.637 -2.538 418 HA GLU 57 HA GLU 57 12.545 -4.957 -3.755 419 HB2 GLU 57 HB2 GLU 57 10.399 -6.063 -3.801 420 HB3 GLU 57 HB3 GLU 57 9.608 -4.660 -4.489 421 HG2 GLU 57 HG2 GLU 57 11.335 -4.972 -6.471 422 HG3 GLU 57 HG3 GLU 57 11.522 -6.593 -5.830 423 HE2 GLU 57 HE2 GLU 57 8.415 -7.658 -6.848 424 H MET 58 HN MET 58 10.558 -2.027 -4.342 425 HA MET 58 HA MET 58 12.032 -1.541 -6.780 426 HB2 MET 58 HB2 MET 58 9.691 -0.122 -5.396 427 HB3 MET 58 HB3 MET 58 10.401 0.457 -6.891 428 HG2 MET 58 HG2 MET 58 9.966 -2.056 -7.707 429 HG3 MET 58 HG3 MET 58 8.792 -2.060 -6.406 430 HE1 MET 58 HE1 MET 58 9.520 -1.726 -9.677 431 HE2 MET 58 HE2 MET 58 7.780 -2.023 -9.904 432 HE3 MET 58 HE3 MET 58 8.505 -0.503 -10.479 433 H LYS 59 HN LYS 59 11.481 -0.156 -3.498 434 HA LYS 59 HA LYS 59 12.810 1.120 -2.255 435 HB2 LYS 59 HB2 LYS 59 14.636 0.144 -4.213 436 HB3 LYS 59 HB3 LYS 59 14.966 1.852 -4.001 437 HG2 LYS 59 HG2 LYS 59 16.192 1.140 -2.197 438 HG3 LYS 59 HG3 LYS 59 14.640 1.132 -1.383 439 HD2 LYS 59 HD2 LYS 59 14.714 -1.121 -1.127 440 HD3 LYS 59 HD3 LYS 59 14.946 -1.359 -2.848 441 HE2 LYS 59 HE2 LYS 59 17.216 -0.576 -0.963 442 HE3 LYS 59 HE3 LYS 59 16.827 -2.241 -1.344 443 HZ1 LYS 59 HZ1 LYS 59 16.994 -1.246 -3.800 444 HZ2 LYS 59 HZ2 LYS 59 18.022 -0.217 -3.068 445 H LYS 60 HN LYS 60 10.588 2.150 -3.485 446 HA LYS 60 HA LYS 60 11.521 4.847 -4.168 447 HB2 LYS 60 HB2 LYS 60 10.298 3.105 -5.957 448 HB3 LYS 60 HB3 LYS 60 8.971 4.103 -5.398 449 HG2 LYS 60 HG2 LYS 60 9.867 6.055 -6.290 450 HG3 LYS 60 HG3 LYS 60 11.524 5.540 -6.048 451 HD2 LYS 60 HD2 LYS 60 10.137 3.795 -7.964 452 HD3 LYS 60 HD3 LYS 60 10.071 5.471 -8.471 453 HE2 LYS 60 HE2 LYS 60 12.621 5.562 -7.985 454 HE3 LYS 60 HE3 LYS 60 12.557 3.814 -7.867 455 HZ1 LYS 60 HZ1 LYS 60 12.887 3.975 -10.101 456 HZ2 LYS 60 HZ2 LYS 60 11.277 4.201 -10.184 457 H GLY 61 HN GLY 61 8.894 2.729 -2.884 458 HA2 GLY 61 HA1 GLY 61 7.493 4.950 -1.701 459 HA3 GLY 61 HA2 GLY 61 7.137 3.242 -1.535 460 HA PRO 62 HA PRO 62 9.036 4.805 2.427 461 HB2 PRO 62 HB2 PRO 62 6.929 4.356 4.071 462 HB3 PRO 62 HB3 PRO 62 6.975 5.789 2.993 463 HG2 PRO 62 HG2 PRO 62 5.178 3.170 2.184 464 HG3 PRO 62 HG3 PRO 62 5.206 4.930 2.526 465 HD2 PRO 62 HD2 PRO 62 5.911 3.572 0.065 466 HD3 PRO 62 HD3 PRO 62 6.122 5.310 0.436 467 H THR 63 HN THR 63 10.120 3.378 3.859 468 HA THR 63 HA THR 63 9.107 0.637 3.983 469 HB THR 63 HB THR 63 11.693 0.051 3.656 470 HG1 THR 63 HG1 THR 63 11.196 2.566 2.223 471 HG21 THR 63 HG21 THR 63 11.049 -0.722 1.599 472 HG22 THR 63 HG22 THR 63 9.478 0.063 1.894 473 HG23 THR 63 HG23 THR 63 10.756 0.932 1.011 474 H LYS 64 HN LYS 64 9.045 2.945 5.827 475 HA LYS 64 HA LYS 64 10.506 1.627 7.988 476 HB2 LYS 64 HB2 LYS 64 11.241 4.130 6.848 477 HB3 LYS 64 HB3 LYS 64 10.538 4.467 8.417 478 HG2 LYS 64 HG2 LYS 64 12.039 2.677 9.414 479 HG3 LYS 64 HG3 LYS 64 12.800 2.495 7.846 480 HD2 LYS 64 HD2 LYS 64 14.114 4.312 8.196 481 HD3 LYS 64 HD3 LYS 64 12.722 5.318 8.543 482 HE2 LYS 64 HE2 LYS 64 12.749 4.742 10.884 483 HE3 LYS 64 HE3 LYS 64 13.830 3.388 10.621 484 HZ1 LYS 64 HZ1 LYS 64 15.530 4.794 10.954 485 HZ2 LYS 64 HZ2 LYS 64 15.116 5.671 9.646 486 H CYS 65 HN CYS 65 9.551 2.002 10.116 487 HA CYS 65 HA CYS 65 6.794 1.840 10.059 488 HB2 CYS 65 HB2 CYS 65 8.280 2.763 12.499 489 HB3 CYS 65 HB3 CYS 65 6.868 1.732 12.387 490 H GLY 66 HN GLY 66 9.065 4.585 10.610 491 HA2 GLY 66 HA1 GLY 66 6.870 6.441 11.072 492 HA3 GLY 66 HA2 GLY 66 8.589 6.775 11.139 493 H GLU 67 HN GLU 67 7.532 4.917 8.368 494 HA GLU 67 HA GLU 67 7.644 7.368 6.787 495 HB2 GLU 67 HB2 GLU 67 9.038 4.757 6.496 496 HB3 GLU 67 HB3 GLU 67 8.348 5.378 5.010 497 HG2 GLU 67 HG2 GLU 67 9.496 7.604 5.491 498 HG3 GLU 67 HG3 GLU 67 10.289 6.844 6.856 499 HE2 GLU 67 HE2 GLU 67 12.777 6.363 4.603 500 H CYS 68 HN CYS 68 5.555 5.156 8.017 501 HA CYS 68 HA CYS 68 3.838 5.368 5.665 502 HB2 CYS 68 HB2 CYS 68 4.847 2.900 6.844 503 HB3 CYS 68 HB3 CYS 68 3.096 2.957 6.886 504 H HIS 69 HN HIS 69 3.926 4.200 9.121 505 HA HIS 69 HA HIS 69 1.284 5.115 9.588 506 HB2 HIS 69 HB2 HIS 69 3.451 4.182 11.492 507 HB3 HIS 69 HB3 HIS 69 1.785 4.486 11.944 508 HD1 HIS 69 HD1 HIS 69 -0.057 2.920 10.620 509 HD2 HIS 69 HD2 HIS 69 3.937 1.636 10.582 510 HE1 HIS 69 HE1 HIS 69 -0.106 0.449 9.985 511 H LYS 70 HN LYS 70 0.780 7.250 9.628 512 HA LYS 70 HA LYS 70 2.258 8.935 11.439 513 HB2 LYS 70 HB2 LYS 70 3.637 9.270 9.521 514 HB3 LYS 70 HB3 LYS 70 2.256 9.423 8.454 515 HG2 LYS 70 HG2 LYS 70 1.619 11.425 10.139 516 HG3 LYS 70 HG3 LYS 70 3.343 11.405 10.452 517 HD2 LYS 70 HD2 LYS 70 2.400 11.374 7.580 518 HD3 LYS 70 HD3 LYS 70 2.315 12.881 8.470 519 HE2 LYS 70 HE2 LYS 70 4.852 11.193 8.265 520 HE3 LYS 70 HE3 LYS 70 4.486 12.518 7.179 521 HZ1 LYS 70 HZ1 LYS 70 4.210 13.849 9.377 522 HZ2 LYS 70 HZ2 LYS 70 5.079 12.654 10.061 523 H LYS 71 HN LYS 71 0.700 9.858 12.646 524 HA LYS 71 HA LYS 71 -1.983 9.741 12.031 525 HB2 LYS 71 HB2 LYS 71 -0.716 10.212 14.260 526 HB3 LYS 71 HB3 LYS 71 -0.821 11.896 13.786 527 HG2 LYS 71 HG2 LYS 71 -3.411 10.746 13.328 528 HG3 LYS 71 HG3 LYS 71 -2.889 10.200 14.909 529 HD2 LYS 71 HD2 LYS 71 -3.038 12.295 15.825 530 HD3 LYS 71 HD3 LYS 71 -2.311 13.066 14.429 531 HE2 LYS 71 HE2 LYS 71 -4.642 12.458 13.266 532 HE3 LYS 71 HE3 LYS 71 -5.217 12.385 14.920 533 HZ1 LYS 71 HZ1 LYS 71 -4.179 14.712 13.461 534 HZ2 LYS 71 HZ2 LYS 71 -5.483 14.616 14.431 Start of MODEL 7 1 H1 ALA 1 HN ALA 1 -12.246 10.433 -1.511 2 HA ALA 1 HA ALA 1 -11.346 11.187 -3.683 3 HB1 ALA 1 HB1 ALA 1 -9.443 12.444 -3.779 4 HB2 ALA 1 HB2 ALA 1 -9.900 12.874 -2.113 5 HB3 ALA 1 HB3 ALA 1 -8.690 11.601 -2.404 6 H ASP 2 HN ASP 2 -9.322 9.939 -4.710 7 HA ASP 2 HA ASP 2 -9.746 7.328 -4.425 8 HB2 ASP 2 HB2 ASP 2 -7.847 8.983 -5.725 9 HB3 ASP 2 HB3 ASP 2 -6.879 7.822 -4.838 10 HD2 ASP 2 HD2 ASP 2 -7.245 6.240 -7.911 11 H ASP 3 HN ASP 3 -7.619 9.460 -2.474 12 HA ASP 3 HA ASP 3 -5.933 7.891 -1.242 13 HB2 ASP 3 HB2 ASP 3 -6.089 10.151 -0.506 14 HB3 ASP 3 HB3 ASP 3 -7.791 10.005 -0.116 15 HD2 ASP 3 HD2 ASP 3 -4.793 8.508 0.956 16 H ILE 4 HN ILE 4 -6.141 5.827 -0.362 17 HA ILE 4 HA ILE 4 -8.706 5.175 0.904 18 HB ILE 4 HB ILE 4 -6.791 3.671 -0.785 19 HG12 ILE 4 HG12 ILE 4 -9.800 3.651 -0.415 20 HG13 ILE 4 HG13 ILE 4 -8.906 4.432 -1.704 21 HG21 ILE 4 HG21 ILE 4 -8.039 2.555 1.692 22 HG22 ILE 4 HG22 ILE 4 -7.967 1.539 0.232 23 HG23 ILE 4 HG23 ILE 4 -6.469 2.196 0.934 24 HD11 ILE 4 HD11 ILE 4 -9.358 1.483 -1.224 25 HD12 ILE 4 HD12 ILE 4 -9.537 2.420 -2.727 26 HD13 ILE 4 HD13 ILE 4 -7.914 2.009 -2.123 27 H VAL 5 HN VAL 5 -8.304 6.023 2.974 28 HA VAL 5 HA VAL 5 -5.863 5.510 4.321 29 HB VAL 5 HB VAL 5 -8.553 6.320 5.438 30 HG11 VAL 5 HG11 VAL 5 -6.293 5.629 6.813 31 HG12 VAL 5 HG12 VAL 5 -6.060 7.383 6.614 32 HG13 VAL 5 HG13 VAL 5 -7.532 6.764 7.401 33 HG21 VAL 5 HG21 VAL 5 -8.233 8.483 4.784 34 HG22 VAL 5 HG22 VAL 5 -6.458 8.353 4.819 35 HG23 VAL 5 HG23 VAL 5 -7.374 7.677 3.450 36 H LEU 6 HN LEU 6 -5.232 3.772 5.519 37 HA LEU 6 HA LEU 6 -7.154 1.591 5.707 38 HB2 LEU 6 HB2 LEU 6 -4.155 1.714 6.032 39 HB3 LEU 6 HB3 LEU 6 -5.112 0.272 6.310 40 HG LEU 6 HG LEU 6 -5.101 1.740 3.665 41 HD11 LEU 6 HD11 LEU 6 -2.806 1.018 4.275 42 HD12 LEU 6 HD12 LEU 6 -3.401 -0.653 4.413 43 HD13 LEU 6 HD13 LEU 6 -3.456 0.184 2.843 44 HD21 LEU 6 HD21 LEU 6 -5.984 -1.045 4.467 45 HD22 LEU 6 HD22 LEU 6 -7.023 0.312 3.970 46 HD23 LEU 6 HD23 LEU 6 -5.911 -0.434 2.797 47 H LYS 7 HN LYS 7 -6.435 0.173 7.882 48 HA LYS 7 HA LYS 7 -7.076 2.043 10.034 49 HB2 LYS 7 HB2 LYS 7 -7.266 -0.965 10.175 50 HB3 LYS 7 HB3 LYS 7 -8.080 0.232 11.163 51 HG2 LYS 7 HG2 LYS 7 -8.878 0.920 8.566 52 HG3 LYS 7 HG3 LYS 7 -8.827 -0.830 8.507 53 HD2 LYS 7 HD2 LYS 7 -10.985 -0.544 9.322 54 HD3 LYS 7 HD3 LYS 7 -10.118 -0.637 10.842 55 HE2 LYS 7 HE2 LYS 7 -10.246 1.692 11.223 56 HE3 LYS 7 HE3 LYS 7 -10.444 2.067 9.522 57 HZ1 LYS 7 HZ1 LYS 7 -12.664 1.879 9.734 58 HZ2 LYS 7 HZ2 LYS 7 -12.584 0.430 10.472 59 H ALA 8 HN ALA 8 -5.681 2.450 11.696 60 HA ALA 8 HA ALA 8 -3.745 0.680 12.603 61 HB1 ALA 8 HB1 ALA 8 -2.719 2.755 10.624 62 HB2 ALA 8 HB2 ALA 8 -1.695 1.777 11.701 63 HB3 ALA 8 HB3 ALA 8 -2.661 0.987 10.432 64 H LYS 9 HN LYS 9 -3.959 1.317 14.693 65 HA LYS 9 HA LYS 9 -4.540 4.032 15.334 66 HB2 LYS 9 HB2 LYS 9 -3.945 1.589 17.024 67 HB3 LYS 9 HB3 LYS 9 -4.346 3.157 17.695 68 HG2 LYS 9 HG2 LYS 9 -6.321 2.707 15.715 69 HG3 LYS 9 HG3 LYS 9 -6.115 1.150 16.491 70 HD2 LYS 9 HD2 LYS 9 -6.227 2.548 18.741 71 HD3 LYS 9 HD3 LYS 9 -6.959 3.783 17.735 72 HE2 LYS 9 HE2 LYS 9 -8.938 2.701 18.017 73 HE3 LYS 9 HE3 LYS 9 -8.315 1.443 16.968 74 HZ1 LYS 9 HZ1 LYS 9 -7.415 0.322 18.943 75 HZ2 LYS 9 HZ2 LYS 9 -7.980 1.495 19.921 76 H ASN 10 HN ASN 10 -1.723 2.483 14.354 77 HA ASN 10 HA ASN 10 -0.019 3.926 16.164 78 HB2 ASN 10 HB2 ASN 10 0.942 2.411 13.710 79 HB3 ASN 10 HB3 ASN 10 1.770 2.639 15.237 80 HD21 ASN 10 HD21 ASN 10 0.600 0.338 13.460 81 HD22 ASN 10 HD22 ASN 10 -0.098 -0.754 14.610 82 H GLY 11 HN GLY 11 -1.857 4.707 13.514 83 HA2 GLY 11 HA1 GLY 11 -1.429 7.045 12.775 84 HA3 GLY 11 HA2 GLY 11 0.186 6.509 12.356 85 H ASP 12 HN ASP 12 -3.005 6.945 11.220 86 HA ASP 12 HA ASP 12 -3.580 4.959 9.572 87 HB2 ASP 12 HB2 ASP 12 -3.956 7.881 9.557 88 HB3 ASP 12 HB3 ASP 12 -3.941 7.227 7.931 89 HD2 ASP 12 HD2 ASP 12 -7.347 7.180 9.351 90 H VAL 13 HN VAL 13 -3.050 4.416 7.300 91 HA VAL 13 HA VAL 13 -0.431 5.470 6.479 92 HB VAL 13 HB VAL 13 -1.643 2.734 6.036 93 HG11 VAL 13 HG11 VAL 13 0.496 4.145 4.680 94 HG12 VAL 13 HG12 VAL 13 1.114 2.686 5.491 95 HG13 VAL 13 HG13 VAL 13 -0.223 2.556 4.322 96 HG21 VAL 13 HG21 VAL 13 0.899 3.006 7.521 97 HG22 VAL 13 HG22 VAL 13 -0.536 3.650 8.354 98 HG23 VAL 13 HG23 VAL 13 -0.503 1.952 7.822 99 H LYS 14 HN LYS 14 -1.534 7.245 5.381 100 HA LYS 14 HA LYS 14 -3.562 6.872 3.529 101 HB2 LYS 14 HB2 LYS 14 -3.154 9.058 4.297 102 HB3 LYS 14 HB3 LYS 14 -1.445 8.983 3.918 103 HG2 LYS 14 HG2 LYS 14 -2.703 8.475 1.446 104 HG3 LYS 14 HG3 LYS 14 -3.710 9.706 2.181 105 HD2 LYS 14 HD2 LYS 14 -1.779 11.186 2.504 106 HD3 LYS 14 HD3 LYS 14 -0.672 9.931 1.984 107 HE2 LYS 14 HE2 LYS 14 -1.587 9.970 -0.290 108 HE3 LYS 14 HE3 LYS 14 -2.879 11.050 0.195 109 HZ1 LYS 14 HZ1 LYS 14 -1.311 12.797 0.552 110 HZ2 LYS 14 HZ2 LYS 14 -0.022 11.808 0.441 111 H LEU 15 HN LEU 15 -3.593 5.626 1.744 112 HA LEU 15 HA LEU 15 -1.031 5.224 0.371 113 HB2 LEU 15 HB2 LEU 15 -1.738 3.141 1.041 114 HB3 LEU 15 HB3 LEU 15 -3.436 3.512 0.820 115 HG LEU 15 HG LEU 15 -2.670 3.657 -1.747 116 HD11 LEU 15 HD11 LEU 15 -0.297 2.881 -0.649 117 HD12 LEU 15 HD12 LEU 15 -1.006 1.313 -1.106 118 HD13 LEU 15 HD13 LEU 15 -0.790 2.585 -2.333 119 HD21 LEU 15 HD21 LEU 15 -3.224 1.106 -1.803 120 HD22 LEU 15 HD22 LEU 15 -3.552 1.330 -0.068 121 HD23 LEU 15 HD23 LEU 15 -4.457 2.276 -1.274 122 HA PRO 16 HA PRO 16 -2.807 8.168 -2.489 123 HB2 PRO 16 HB2 PRO 16 -0.197 7.549 -3.849 124 HB3 PRO 16 HB3 PRO 16 -0.904 9.115 -3.332 125 HG2 PRO 16 HG2 PRO 16 1.193 8.010 -1.902 126 HG3 PRO 16 HG3 PRO 16 -0.223 8.969 -1.359 127 HD2 PRO 16 HD2 PRO 16 0.220 5.934 -1.332 128 HD3 PRO 16 HD3 PRO 16 -0.362 6.989 -0.008 129 H HIS 17 HN HIS 17 -4.219 5.950 -2.780 130 HA HIS 17 HA HIS 17 -3.615 4.028 -4.540 131 HB2 HIS 17 HB2 HIS 17 -5.747 4.377 -3.232 132 HB3 HIS 17 HB3 HIS 17 -6.278 5.468 -4.497 133 HD1 HIS 17 HD1 HIS 17 -7.532 4.420 -6.399 134 HD2 HIS 17 HD2 HIS 17 -5.198 1.632 -4.306 135 HE1 HIS 17 HE1 HIS 17 -8.078 2.136 -7.398 136 H LYS 18 HN LYS 18 -4.977 7.280 -5.418 137 HA LYS 18 HA LYS 18 -5.001 6.913 -8.143 138 HB2 LYS 18 HB2 LYS 18 -6.049 8.788 -6.906 139 HB3 LYS 18 HB3 LYS 18 -4.464 9.474 -6.609 140 HG2 LYS 18 HG2 LYS 18 -5.276 10.618 -8.544 141 HG3 LYS 18 HG3 LYS 18 -4.108 9.467 -9.160 142 HD2 LYS 18 HD2 LYS 18 -5.813 8.918 -10.601 143 HD3 LYS 18 HD3 LYS 18 -6.332 7.902 -9.271 144 HE2 LYS 18 HE2 LYS 18 -7.340 10.570 -8.796 145 HE3 LYS 18 HE3 LYS 18 -7.719 10.138 -10.452 146 HZ1 LYS 18 HZ1 LYS 18 -9.387 9.391 -8.740 147 HZ2 LYS 18 HZ2 LYS 18 -8.854 8.189 -9.702 148 H ALA 19 HN ALA 19 -2.363 8.369 -6.110 149 HA ALA 19 HA ALA 19 -0.560 8.740 -8.166 150 HB1 ALA 19 HB1 ALA 19 -0.660 9.091 -5.402 151 HB2 ALA 19 HB2 ALA 19 0.661 7.919 -5.628 152 HB3 ALA 19 HB3 ALA 19 0.713 9.491 -6.462 153 H HIS 20 HN HIS 20 -1.005 5.888 -5.965 154 HA HIS 20 HA HIS 20 1.034 4.384 -7.127 155 HB2 HIS 20 HB2 HIS 20 -1.355 3.780 -5.411 156 HB3 HIS 20 HB3 HIS 20 -0.443 2.455 -6.108 157 HD1 HIS 20 HD1 HIS 20 -0.043 5.376 -3.712 158 HD2 HIS 20 HD2 HIS 20 2.001 1.907 -4.886 159 HE1 HIS 20 HE1 HIS 20 1.877 5.083 -2.057 160 H GLN 21 HN GLN 21 -2.206 5.196 -8.183 161 HA GLN 21 HA GLN 21 -2.418 2.948 -9.916 162 HB2 GLN 21 HB2 GLN 21 -4.050 5.445 -9.412 163 HB3 GLN 21 HB3 GLN 21 -4.376 4.477 -10.836 164 HG2 GLN 21 HG2 GLN 21 -4.908 2.527 -9.525 165 HG3 GLN 21 HG3 GLN 21 -4.208 3.213 -8.073 166 HE21 GLN 21 HE21 GLN 21 -7.009 2.570 -9.667 167 HE22 GLN 21 HE22 GLN 21 -8.095 3.685 -8.907 168 H LYS 22 HN LYS 22 -0.566 5.773 -9.944 169 HA LYS 22 HA LYS 22 -0.586 5.861 -12.880 170 HB2 LYS 22 HB2 LYS 22 -1.228 7.945 -11.512 171 HB3 LYS 22 HB3 LYS 22 0.463 8.033 -11.061 172 HG2 LYS 22 HG2 LYS 22 0.701 9.237 -12.990 173 HG3 LYS 22 HG3 LYS 22 0.696 7.673 -13.781 174 HD2 LYS 22 HD2 LYS 22 -1.398 7.979 -14.674 175 HD3 LYS 22 HD3 LYS 22 -2.024 8.723 -13.216 176 HE2 LYS 22 HE2 LYS 22 -0.021 10.270 -14.869 177 HE3 LYS 22 HE3 LYS 22 -1.669 10.151 -15.454 178 HZ1 LYS 22 HZ1 LYS 22 -2.204 10.851 -12.988 179 HZ2 LYS 22 HZ2 LYS 22 -0.697 11.468 -13.021 180 H ALA 23 HN ALA 23 1.388 5.635 -9.892 181 HA ALA 23 HA ALA 23 3.859 5.549 -11.285 182 HB1 ALA 23 HB1 ALA 23 2.842 5.285 -8.512 183 HB2 ALA 23 HB2 ALA 23 4.331 4.373 -8.856 184 HB3 ALA 23 HB3 ALA 23 4.281 6.131 -9.127 185 H VAL 24 HN VAL 24 1.398 3.173 -10.255 186 HA VAL 24 HA VAL 24 3.098 1.064 -11.391 187 HB VAL 24 HB VAL 24 0.939 1.035 -9.284 188 HG11 VAL 24 HG11 VAL 24 0.345 -0.955 -10.197 189 HG12 VAL 24 HG12 VAL 24 1.888 -1.143 -11.065 190 HG13 VAL 24 HG13 VAL 24 1.788 -1.536 -9.332 191 HG21 VAL 24 HG21 VAL 24 2.588 0.765 -7.770 192 HG22 VAL 24 HG22 VAL 24 3.517 -0.326 -8.825 193 HG23 VAL 24 HG23 VAL 24 3.637 1.437 -9.042 194 HA PRO 25 HA PRO 25 -0.098 1.645 -14.552 195 HB2 PRO 25 HB2 PRO 25 1.507 0.947 -16.650 196 HB3 PRO 25 HB3 PRO 25 1.616 2.553 -15.857 197 HG2 PRO 25 HG2 PRO 25 3.176 0.200 -15.464 198 HG3 PRO 25 HG3 PRO 25 3.896 1.833 -15.639 199 HD2 PRO 25 HD2 PRO 25 3.622 0.675 -13.195 200 HD3 PRO 25 HD3 PRO 25 3.273 2.418 -13.407 201 H ASP 26 HN ASP 26 -0.311 -0.553 -12.812 202 HA ASP 26 HA ASP 26 -1.105 -2.522 -14.645 203 HB2 ASP 26 HB2 ASP 26 0.936 -3.579 -12.689 204 HB3 ASP 26 HB3 ASP 26 0.408 -4.274 -14.208 205 HD2 ASP 26 HD2 ASP 26 2.886 -2.689 -16.027 206 H CYS 27 HN CYS 27 -3.110 -2.226 -13.463 207 HA CYS 27 HA CYS 27 -3.146 -2.385 -10.630 208 HB2 CYS 27 HB2 CYS 27 -5.620 -2.819 -12.234 209 HB3 CYS 27 HB3 CYS 27 -5.378 -1.901 -10.760 210 H LYS 28 HN LYS 28 -1.719 -4.554 -11.111 211 HA LYS 28 HA LYS 28 -3.631 -6.744 -10.793 212 HB2 LYS 28 HB2 LYS 28 -1.143 -7.309 -12.337 213 HB3 LYS 28 HB3 LYS 28 -2.716 -8.077 -12.414 214 HG2 LYS 28 HG2 LYS 28 -3.497 -5.685 -13.318 215 HG3 LYS 28 HG3 LYS 28 -1.798 -5.502 -13.706 216 HD2 LYS 28 HD2 LYS 28 -1.913 -6.982 -15.444 217 HD3 LYS 28 HD3 LYS 28 -2.844 -8.141 -14.516 218 HE2 LYS 28 HE2 LYS 28 -4.876 -7.314 -15.250 219 HE3 LYS 28 HE3 LYS 28 -4.319 -5.653 -15.269 220 HZ1 LYS 28 HZ1 LYS 28 -4.326 -6.029 -17.504 221 HZ2 LYS 28 HZ2 LYS 28 -2.853 -6.676 -17.252 222 H LYS 29 HN LYS 29 -0.092 -5.904 -10.719 223 HA LYS 29 HA LYS 29 0.657 -7.784 -8.875 224 HB2 LYS 29 HB2 LYS 29 1.766 -4.979 -9.200 225 HB3 LYS 29 HB3 LYS 29 2.585 -6.332 -8.447 226 HG2 LYS 29 HG2 LYS 29 1.521 -6.777 -11.223 227 HG3 LYS 29 HG3 LYS 29 2.894 -5.698 -11.072 228 HD2 LYS 29 HD2 LYS 29 3.578 -7.859 -9.407 229 HD3 LYS 29 HD3 LYS 29 2.776 -8.629 -10.762 230 HE2 LYS 29 HE2 LYS 29 4.320 -7.695 -12.355 231 HE3 LYS 29 HE3 LYS 29 4.923 -6.518 -11.205 232 HZ1 LYS 29 HZ1 LYS 29 5.492 -8.789 -9.920 233 HZ2 LYS 29 HZ2 LYS 29 5.615 -9.330 -11.451 234 H CYS 30 HN CYS 30 -1.327 -4.926 -8.458 235 HA CYS 30 HA CYS 30 -1.002 -5.118 -5.566 236 HB2 CYS 30 HB2 CYS 30 -1.602 -2.927 -7.420 237 HB3 CYS 30 HB3 CYS 30 -2.714 -2.986 -6.067 238 H HIS 31 HN HIS 31 -3.164 -5.669 -8.323 239 HA HIS 31 HA HIS 31 -5.224 -6.542 -6.428 240 HB2 HIS 31 HB2 HIS 31 -5.468 -5.214 -9.128 241 HB3 HIS 31 HB3 HIS 31 -6.785 -6.144 -8.441 242 HD1 HIS 31 HD1 HIS 31 -7.500 -5.285 -5.872 243 HD2 HIS 31 HD2 HIS 31 -5.479 -2.587 -8.370 244 HE1 HIS 31 HE1 HIS 31 -7.936 -2.960 -4.915 245 H GLU 32 HN GLU 32 -5.095 -8.727 -6.255 246 HA GLU 32 HA GLU 32 -3.949 -10.269 -8.308 247 HB2 GLU 32 HB2 GLU 32 -5.293 -10.836 -5.667 248 HB3 GLU 32 HB3 GLU 32 -5.036 -12.168 -6.776 249 HG2 GLU 32 HG2 GLU 32 -2.803 -10.255 -5.964 250 HG3 GLU 32 HG3 GLU 32 -3.152 -11.727 -5.079 251 HE2 GLU 32 HE2 GLU 32 -0.517 -11.961 -6.863 252 H LYS 33 HN LYS 33 -6.924 -11.557 -6.912 253 HA LYS 33 HA LYS 33 -7.985 -12.555 -9.153 254 HB2 LYS 33 HB2 LYS 33 -9.329 -11.415 -6.701 255 HB3 LYS 33 HB3 LYS 33 -10.248 -12.192 -7.975 256 HG2 LYS 33 HG2 LYS 33 -9.800 -14.131 -6.853 257 HG3 LYS 33 HG3 LYS 33 -8.222 -14.032 -7.609 258 HD2 LYS 33 HD2 LYS 33 -7.293 -13.897 -5.547 259 HD3 LYS 33 HD3 LYS 33 -8.049 -12.328 -5.347 260 HE2 LYS 33 HE2 LYS 33 -10.035 -13.322 -4.338 261 HE3 LYS 33 HE3 LYS 33 -9.511 -14.941 -4.756 262 HZ1 LYS 33 HZ1 LYS 33 -7.970 -13.174 -2.934 263 HZ2 LYS 33 HZ2 LYS 33 -9.035 -14.286 -2.407 264 H GLY 34 HN GLY 34 -7.879 -9.144 -8.206 265 HA2 GLY 34 HA1 GLY 34 -8.042 -7.956 -10.563 266 HA3 GLY 34 HA2 GLY 34 -9.727 -8.379 -10.332 267 HA PRO 35 HA PRO 35 -8.648 -4.198 -8.393 268 HB2 PRO 35 HB2 PRO 35 -11.101 -3.584 -10.062 269 HB3 PRO 35 HB3 PRO 35 -9.614 -2.624 -9.774 270 HG2 PRO 35 HG2 PRO 35 -9.535 -4.078 -12.326 271 HG3 PRO 35 HG3 PRO 35 -8.478 -3.820 -10.901 272 HD2 PRO 35 HD2 PRO 35 -10.536 -6.096 -11.233 273 HD3 PRO 35 HD3 PRO 35 -8.771 -6.279 -11.468 274 H GLY 36 HN GLY 36 -9.387 -4.182 -6.271 275 HA2 GLY 36 HA1 GLY 36 -11.748 -3.640 -5.292 276 HA3 GLY 36 HA2 GLY 36 -12.043 -5.306 -5.749 277 H LYS 37 HN LYS 37 -12.316 -5.970 -3.536 278 HA LYS 37 HA LYS 37 -10.419 -5.430 -1.550 279 HB2 LYS 37 HB2 LYS 37 -11.683 -6.848 -0.197 280 HB3 LYS 37 HB3 LYS 37 -12.854 -6.205 -1.329 281 HG2 LYS 37 HG2 LYS 37 -12.706 -8.250 -2.711 282 HG3 LYS 37 HG3 LYS 37 -11.433 -8.885 -1.688 283 HD2 LYS 37 HD2 LYS 37 -12.959 -9.016 0.234 284 HD3 LYS 37 HD3 LYS 37 -14.226 -8.200 -0.661 285 HE2 LYS 37 HE2 LYS 37 -14.554 -10.067 -2.132 286 HE3 LYS 37 HE3 LYS 37 -13.022 -10.795 -1.694 287 HZ1 LYS 37 HZ1 LYS 37 -15.361 -10.527 0.119 288 HZ2 LYS 37 HZ2 LYS 37 -14.844 -11.913 -0.561 289 H ILE 38 HN ILE 38 -8.764 -6.770 -0.628 290 HA ILE 38 HA ILE 38 -7.749 -8.747 -2.552 291 HB ILE 38 HB ILE 38 -6.157 -7.021 -0.655 292 HG12 ILE 38 HG12 ILE 38 -6.387 -6.692 -3.655 293 HG13 ILE 38 HG13 ILE 38 -7.363 -5.781 -2.519 294 HG21 ILE 38 HG21 ILE 38 -5.505 -9.413 -2.006 295 HG22 ILE 38 HG22 ILE 38 -4.685 -8.094 -2.875 296 HG23 ILE 38 HG23 ILE 38 -4.418 -8.310 -1.129 297 HD11 ILE 38 HD11 ILE 38 -4.893 -5.391 -1.410 298 HD12 ILE 38 HD12 ILE 38 -4.450 -5.558 -3.126 299 HD13 ILE 38 HD13 ILE 38 -5.608 -4.302 -2.624 300 H GLU 39 HN GLU 39 -7.360 -10.803 -1.827 301 HA GLU 39 HA GLU 39 -8.143 -11.276 0.914 302 HB2 GLU 39 HB2 GLU 39 -8.901 -12.559 -1.329 303 HB3 GLU 39 HB3 GLU 39 -7.473 -13.514 -0.981 304 HG2 GLU 39 HG2 GLU 39 -8.405 -13.723 1.440 305 HG3 GLU 39 HG3 GLU 39 -9.909 -13.095 0.797 306 HE2 GLU 39 HE2 GLU 39 -10.853 -15.532 1.088 307 H GLY 40 HN GLY 40 -6.646 -11.593 2.503 308 HA2 GLY 40 HA1 GLY 40 -4.742 -12.919 3.201 309 HA3 GLY 40 HA2 GLY 40 -3.967 -12.537 1.677 310 H PHE 41 HN PHE 41 -4.593 -9.757 1.436 311 HA PHE 41 HA PHE 41 -2.596 -8.697 3.131 312 HB2 PHE 41 HB2 PHE 41 -3.233 -7.987 0.753 313 HB3 PHE 41 HB3 PHE 41 -4.757 -7.385 1.374 314 HD1 PHE 41 HD1 PHE 41 -4.727 -5.454 3.001 315 HD2 PHE 41 HD2 PHE 41 -1.278 -6.666 0.847 316 HE1 PHE 41 HE1 PHE 41 -3.664 -3.226 3.451 317 HE2 PHE 41 HE2 PHE 41 -0.214 -4.437 1.296 318 HZ PHE 41 HZ PHE 41 -1.420 -2.744 2.593 319 H GLY 42 HN GLY 42 -2.850 -6.859 4.634 320 HA2 GLY 42 HA1 GLY 42 -5.208 -5.819 5.576 321 HA3 GLY 42 HA2 GLY 42 -4.996 -7.312 6.469 322 H LYS 43 HN LYS 43 -1.968 -7.152 6.250 323 HA LYS 43 HA LYS 43 -1.129 -4.742 7.430 324 HB2 LYS 43 HB2 LYS 43 -2.509 -5.617 9.314 325 HB3 LYS 43 HB3 LYS 43 -1.484 -7.037 9.380 326 HG2 LYS 43 HG2 LYS 43 0.174 -4.640 9.356 327 HG3 LYS 43 HG3 LYS 43 -1.031 -4.505 10.621 328 HD2 LYS 43 HD2 LYS 43 -0.178 -7.152 10.887 329 HD3 LYS 43 HD3 LYS 43 1.298 -6.327 10.426 330 HE2 LYS 43 HE2 LYS 43 1.410 -5.944 12.705 331 HE3 LYS 43 HE3 LYS 43 0.448 -4.546 12.269 332 HZ1 LYS 43 HZ1 LYS 43 -0.649 -5.689 14.055 333 HZ2 LYS 43 HZ2 LYS 43 -1.560 -5.945 12.730 334 H GLU 44 HN GLU 44 -0.250 -8.138 8.307 335 HA GLU 44 HA GLU 44 2.357 -7.979 8.109 336 HB2 GLU 44 HB2 GLU 44 1.587 -10.099 8.687 337 HB3 GLU 44 HB3 GLU 44 0.428 -10.163 7.373 338 HG2 GLU 44 HG2 GLU 44 2.209 -11.726 6.849 339 HG3 GLU 44 HG3 GLU 44 2.354 -10.375 5.742 340 HE2 GLU 44 HE2 GLU 44 5.248 -9.134 7.269 341 H MET 45 HN MET 45 0.200 -8.578 5.247 342 HA MET 45 HA MET 45 2.089 -8.819 3.341 343 HB2 MET 45 HB2 MET 45 -0.699 -7.616 3.424 344 HB3 MET 45 HB3 MET 45 0.208 -7.497 1.930 345 HG2 MET 45 HG2 MET 45 -0.403 -10.098 3.419 346 HG3 MET 45 HG3 MET 45 -1.227 -9.541 1.976 347 HE1 MET 45 HE1 MET 45 -0.314 -9.331 -0.264 348 HE2 MET 45 HE2 MET 45 0.883 -10.500 -0.873 349 HE3 MET 45 HE3 MET 45 -0.598 -11.078 -0.072 350 H ALA 46 HN ALA 46 0.582 -5.723 4.502 351 HA ALA 46 HA ALA 46 1.936 -4.010 2.823 352 HB1 ALA 46 HB1 ALA 46 1.521 -3.076 5.606 353 HB2 ALA 46 HB2 ALA 46 0.901 -2.418 4.073 354 HB3 ALA 46 HB3 ALA 46 0.089 -3.804 4.839 355 H HIS 47 HN HIS 47 2.949 -5.553 5.908 356 HA HIS 47 HA HIS 47 5.396 -4.068 5.952 357 HB2 HIS 47 HB2 HIS 47 4.460 -6.434 7.602 358 HB3 HIS 47 HB3 HIS 47 5.911 -5.499 7.907 359 HD1 HIS 47 HD1 HIS 47 2.947 -5.829 9.511 360 HD2 HIS 47 HD2 HIS 47 4.707 -2.457 7.744 361 HE1 HIS 47 HE1 HIS 47 1.883 -3.798 10.631 362 H GLY 48 HN GLY 48 4.386 -6.191 3.763 363 HA2 GLY 48 HA1 GLY 48 7.068 -7.161 3.231 364 HA3 GLY 48 HA2 GLY 48 5.885 -8.404 3.584 365 H LYS 49 HN LYS 49 5.610 -9.338 1.555 366 HA LYS 49 HA LYS 49 5.540 -7.890 -0.827 367 HB2 LYS 49 HB2 LYS 49 4.906 -9.938 -1.849 368 HB3 LYS 49 HB3 LYS 49 6.008 -10.339 -0.548 369 HG2 LYS 49 HG2 LYS 49 3.715 -10.521 0.859 370 HG3 LYS 49 HG3 LYS 49 3.034 -10.802 -0.731 371 HD2 LYS 49 HD2 LYS 49 4.471 -12.722 -1.111 372 HD3 LYS 49 HD3 LYS 49 5.458 -12.345 0.288 373 HE2 LYS 49 HE2 LYS 49 3.687 -12.927 1.826 374 HE3 LYS 49 HE3 LYS 49 2.482 -12.943 0.553 375 HZ1 LYS 49 HZ1 LYS 49 4.054 -15.086 1.399 376 HZ2 LYS 49 HZ2 LYS 49 2.970 -15.089 0.184 377 H GLY 50 HN GLY 50 4.187 -6.032 -0.346 378 HA2 GLY 50 HA1 GLY 50 1.526 -6.362 -1.240 379 HA3 GLY 50 HA2 GLY 50 1.538 -6.173 0.502 380 H CYS 51 HN CYS 51 3.688 -4.412 0.934 381 HA CYS 51 HA CYS 51 3.062 -2.116 -0.752 382 HB2 CYS 51 HB2 CYS 51 3.134 -1.963 2.265 383 HB3 CYS 51 HB3 CYS 51 2.815 -0.653 1.146 384 H LYS 52 HN LYS 52 5.021 -3.351 2.061 385 HA LYS 52 HA LYS 52 7.213 -1.664 1.494 386 HB2 LYS 52 HB2 LYS 52 6.392 -3.416 3.558 387 HB3 LYS 52 HB3 LYS 52 7.939 -4.021 2.999 388 HG2 LYS 52 HG2 LYS 52 7.650 -1.044 3.406 389 HG3 LYS 52 HG3 LYS 52 7.771 -2.058 4.830 390 HD2 LYS 52 HD2 LYS 52 9.751 -2.500 2.592 391 HD3 LYS 52 HD3 LYS 52 9.960 -1.093 3.617 392 HE2 LYS 52 HE2 LYS 52 11.185 -2.640 4.848 393 HE3 LYS 52 HE3 LYS 52 9.615 -2.869 5.591 394 HZ1 LYS 52 HZ1 LYS 52 10.984 -4.616 3.670 395 HZ2 LYS 52 HZ2 LYS 52 10.176 -5.024 5.023 396 H GLY 53 HN GLY 53 6.555 -5.180 0.894 397 HA2 GLY 53 HA1 GLY 53 8.807 -6.083 -0.201 398 HA3 GLY 53 HA2 GLY 53 7.230 -6.444 -0.874 399 H CYS 54 HN CYS 54 6.414 -3.968 -1.934 400 HA CYS 54 HA CYS 54 8.010 -3.913 -4.282 401 HB2 CYS 54 HB2 CYS 54 5.514 -3.665 -4.251 402 HB3 CYS 54 HB3 CYS 54 5.710 -2.087 -3.515 403 H HIS 55 HN HIS 55 7.369 -1.766 -1.447 404 HA HIS 55 HA HIS 55 8.789 0.434 -2.340 405 HB2 HIS 55 HB2 HIS 55 8.254 -0.590 0.460 406 HB3 HIS 55 HB3 HIS 55 8.963 0.976 0.116 407 HD1 HIS 55 HD1 HIS 55 6.246 0.752 1.590 408 HD2 HIS 55 HD2 HIS 55 6.644 1.254 -2.555 409 HE1 HIS 55 HE1 HIS 55 4.055 1.781 0.781 410 H GLU 56 HN GLU 56 9.847 -2.510 -0.542 411 HA GLU 56 HA GLU 56 12.519 -1.532 -0.406 412 HB2 GLU 56 HB2 GLU 56 12.907 -3.980 0.420 413 HB3 GLU 56 HB3 GLU 56 11.965 -2.896 1.424 414 HG2 GLU 56 HG2 GLU 56 10.021 -4.076 1.107 415 HG3 GLU 56 HG3 GLU 56 10.340 -4.343 -0.595 416 HE2 GLU 56 HE2 GLU 56 11.480 -6.127 2.546 417 H GLU 57 HN GLU 57 10.553 -3.545 -2.557 418 HA GLU 57 HA GLU 57 12.778 -4.749 -3.824 419 HB2 GLU 57 HB2 GLU 57 10.677 -5.926 -3.868 420 HB3 GLU 57 HB3 GLU 57 9.824 -4.538 -4.513 421 HG2 GLU 57 HG2 GLU 57 11.487 -4.740 -6.545 422 HG3 GLU 57 HG3 GLU 57 11.805 -6.351 -5.932 423 HE2 GLU 57 HE2 GLU 57 10.480 -5.761 -8.355 424 H MET 58 HN MET 58 10.909 -1.758 -4.190 425 HA MET 58 HA MET 58 12.257 -1.254 -6.713 426 HB2 MET 58 HB2 MET 58 9.971 0.192 -5.261 427 HB3 MET 58 HB3 MET 58 10.608 0.692 -6.815 428 HG2 MET 58 HG2 MET 58 10.102 -1.842 -7.500 429 HG3 MET 58 HG3 MET 58 9.008 -1.786 -6.132 430 HE1 MET 58 HE1 MET 58 9.215 -1.978 -9.294 431 HE2 MET 58 HE2 MET 58 7.587 -1.468 -9.804 432 HE3 MET 58 HE3 MET 58 8.993 -0.431 -10.147 433 H LYS 59 HN LYS 59 11.767 0.056 -3.391 434 HA LYS 59 HA LYS 59 13.103 1.321 -2.149 435 HB2 LYS 59 HB2 LYS 59 15.054 1.517 -4.456 436 HB3 LYS 59 HB3 LYS 59 15.371 1.808 -2.757 437 HG2 LYS 59 HG2 LYS 59 14.257 -0.885 -3.533 438 HG3 LYS 59 HG3 LYS 59 15.933 -0.555 -3.923 439 HD2 LYS 59 HD2 LYS 59 14.925 0.060 -1.135 440 HD3 LYS 59 HD3 LYS 59 15.278 -1.602 -1.564 441 HE2 LYS 59 HE2 LYS 59 17.502 -0.166 -2.542 442 HE3 LYS 59 HE3 LYS 59 17.136 0.615 -1.016 443 HZ1 LYS 59 HZ1 LYS 59 18.092 -2.080 -1.483 444 HZ2 LYS 59 HZ2 LYS 59 18.312 -1.124 -0.183 445 H LYS 60 HN LYS 60 10.867 2.377 -3.309 446 HA LYS 60 HA LYS 60 11.781 5.094 -3.909 447 HB2 LYS 60 HB2 LYS 60 10.005 3.343 -5.544 448 HB3 LYS 60 HB3 LYS 60 9.539 5.025 -5.386 449 HG2 LYS 60 HG2 LYS 60 12.367 4.190 -6.160 450 HG3 LYS 60 HG3 LYS 60 11.108 4.436 -7.353 451 HD2 LYS 60 HD2 LYS 60 10.902 6.763 -6.840 452 HD3 LYS 60 HD3 LYS 60 11.715 6.589 -5.298 453 HE2 LYS 60 HE2 LYS 60 13.591 7.293 -6.388 454 HE3 LYS 60 HE3 LYS 60 13.662 5.674 -7.055 455 HZ1 LYS 60 HZ1 LYS 60 13.698 7.291 -8.839 456 HZ2 LYS 60 HZ2 LYS 60 12.283 6.490 -8.933 457 H GLY 61 HN GLY 61 9.132 2.891 -2.828 458 HA2 GLY 61 HA1 GLY 61 7.615 5.017 -1.644 459 HA3 GLY 61 HA2 GLY 61 7.342 3.293 -1.499 460 HA PRO 62 HA PRO 62 9.055 4.926 2.522 461 HB2 PRO 62 HB2 PRO 62 6.908 4.455 4.102 462 HB3 PRO 62 HB3 PRO 62 6.955 5.875 3.006 463 HG2 PRO 62 HG2 PRO 62 5.248 3.207 2.182 464 HG3 PRO 62 HG3 PRO 62 5.220 4.973 2.491 465 HD2 PRO 62 HD2 PRO 62 6.037 3.586 0.080 466 HD3 PRO 62 HD3 PRO 62 6.183 5.337 0.421 467 H THR 63 HN THR 63 10.311 3.478 3.713 468 HA THR 63 HA THR 63 9.270 0.739 3.946 469 HB THR 63 HB THR 63 11.884 0.217 3.649 470 HG1 THR 63 HG1 THR 63 12.882 2.068 2.968 471 HG21 THR 63 HG21 THR 63 10.760 1.064 1.019 472 HG22 THR 63 HG22 THR 63 11.371 -0.530 1.525 473 HG23 THR 63 HG23 THR 63 9.712 -0.037 1.945 474 H LYS 64 HN LYS 64 9.366 3.224 5.716 475 HA LYS 64 HA LYS 64 10.744 1.870 7.923 476 HB2 LYS 64 HB2 LYS 64 11.561 4.291 6.740 477 HB3 LYS 64 HB3 LYS 64 10.757 4.754 8.227 478 HG2 LYS 64 HG2 LYS 64 13.121 4.337 8.704 479 HG3 LYS 64 HG3 LYS 64 12.160 3.101 9.491 480 HD2 LYS 64 HD2 LYS 64 12.693 1.463 7.786 481 HD3 LYS 64 HD3 LYS 64 13.369 2.683 6.725 482 HE2 LYS 64 HE2 LYS 64 14.783 2.891 9.212 483 HE3 LYS 64 HE3 LYS 64 14.687 1.183 8.834 484 HZ1 LYS 64 HZ1 LYS 64 16.606 2.491 7.809 485 HZ2 LYS 64 HZ2 LYS 64 15.779 1.533 6.785 486 H CYS 65 HN CYS 65 9.782 2.251 10.037 487 HA CYS 65 HA CYS 65 7.030 2.106 9.987 488 HB2 CYS 65 HB2 CYS 65 8.500 3.075 12.416 489 HB3 CYS 65 HB3 CYS 65 7.105 2.020 12.310 490 H GLY 66 HN GLY 66 9.303 4.858 10.503 491 HA2 GLY 66 HA1 GLY 66 7.124 6.727 10.955 492 HA3 GLY 66 HA2 GLY 66 8.844 7.059 10.967 493 H GLU 67 HN GLU 67 7.806 5.137 8.259 494 HA GLU 67 HA GLU 67 7.855 7.554 6.624 495 HB2 GLU 67 HB2 GLU 67 9.492 5.217 6.510 496 HB3 GLU 67 HB3 GLU 67 8.449 5.154 5.104 497 HG2 GLU 67 HG2 GLU 67 9.111 7.739 4.888 498 HG3 GLU 67 HG3 GLU 67 10.486 7.254 5.861 499 HE2 GLU 67 HE2 GLU 67 11.940 5.545 4.708 500 H CYS 68 HN CYS 68 5.843 5.225 7.906 501 HA CYS 68 HA CYS 68 4.045 5.459 5.609 502 HB2 CYS 68 HB2 CYS 68 5.099 3.020 6.780 503 HB3 CYS 68 HB3 CYS 68 3.354 3.070 6.934 504 H HIS 69 HN HIS 69 4.237 4.404 9.097 505 HA HIS 69 HA HIS 69 1.597 5.315 9.601 506 HB2 HIS 69 HB2 HIS 69 3.814 4.422 11.464 507 HB3 HIS 69 HB3 HIS 69 2.169 4.756 11.965 508 HD1 HIS 69 HD1 HIS 69 0.265 3.168 10.783 509 HD2 HIS 69 HD2 HIS 69 4.243 1.854 10.575 510 HE1 HIS 69 HE1 HIS 69 0.168 0.684 10.209 511 H LYS 70 HN LYS 70 1.200 7.484 9.402 512 HA LYS 70 HA LYS 70 2.596 9.210 11.243 513 HB2 LYS 70 HB2 LYS 70 4.056 9.293 9.271 514 HB3 LYS 70 HB3 LYS 70 2.696 9.727 8.255 515 HG2 LYS 70 HG2 LYS 70 3.755 11.804 8.778 516 HG3 LYS 70 HG3 LYS 70 2.336 11.754 9.805 517 HD2 LYS 70 HD2 LYS 70 3.762 12.171 11.532 518 HD3 LYS 70 HD3 LYS 70 4.224 10.486 11.401 519 HE2 LYS 70 HE2 LYS 70 6.241 10.967 10.364 520 HE3 LYS 70 HE3 LYS 70 5.593 12.343 9.494 521 HZ1 LYS 70 HZ1 LYS 70 5.459 13.260 11.993 522 HZ2 LYS 70 HZ2 LYS 70 6.735 12.264 12.169 523 H LYS 71 HN LYS 71 0.936 10.109 12.330 524 HA LYS 71 HA LYS 71 -1.678 10.127 11.355 525 HB2 LYS 71 HB2 LYS 71 -1.505 10.142 13.664 526 HB3 LYS 71 HB3 LYS 71 -0.244 11.358 13.683 527 HG2 LYS 71 HG2 LYS 71 -1.739 13.092 13.674 528 HG3 LYS 71 HG3 LYS 71 -2.756 12.338 12.463 529 HD2 LYS 71 HD2 LYS 71 -2.822 10.928 15.068 530 HD3 LYS 71 HD3 LYS 71 -3.370 12.589 15.176 531 HE2 LYS 71 HE2 LYS 71 -5.359 11.994 14.267 532 HE3 LYS 71 HE3 LYS 71 -4.543 11.500 12.797 533 HZ1 LYS 71 HZ1 LYS 71 -5.843 9.709 13.997 534 HZ2 LYS 71 HZ2 LYS 71 -4.309 9.300 13.631 Start of MODEL 8 1 H1 ALA 1 HN ALA 1 -11.174 10.353 -1.018 2 HA ALA 1 HA ALA 1 -11.715 10.907 -3.635 3 HB1 ALA 1 HB1 ALA 1 -9.789 12.752 -2.617 4 HB2 ALA 1 HB2 ALA 1 -8.929 11.632 -3.701 5 HB3 ALA 1 HB3 ALA 1 -10.334 12.547 -4.299 6 H ASP 2 HN ASP 2 -9.387 9.984 -4.941 7 HA ASP 2 HA ASP 2 -9.547 7.367 -4.762 8 HB2 ASP 2 HB2 ASP 2 -7.641 9.257 -5.786 9 HB3 ASP 2 HB3 ASP 2 -6.720 7.983 -5.011 10 HD2 ASP 2 HD2 ASP 2 -8.984 7.851 -8.127 11 H ASP 3 HN ASP 3 -7.571 9.542 -2.670 12 HA ASP 3 HA ASP 3 -5.913 7.955 -1.405 13 HB2 ASP 3 HB2 ASP 3 -6.050 10.196 -0.644 14 HB3 ASP 3 HB3 ASP 3 -7.776 10.097 -0.357 15 HD2 ASP 3 HD2 ASP 3 -6.551 10.066 2.938 16 H ILE 4 HN ILE 4 -6.139 5.908 -0.491 17 HA ILE 4 HA ILE 4 -8.752 5.260 0.679 18 HB ILE 4 HB ILE 4 -6.788 3.742 -0.944 19 HG12 ILE 4 HG12 ILE 4 -9.810 3.678 -0.687 20 HG13 ILE 4 HG13 ILE 4 -8.899 4.566 -1.893 21 HG21 ILE 4 HG21 ILE 4 -8.126 1.651 0.075 22 HG22 ILE 4 HG22 ILE 4 -6.550 2.198 0.694 23 HG23 ILE 4 HG23 ILE 4 -8.048 2.678 1.526 24 HD11 ILE 4 HD11 ILE 4 -8.962 2.714 -3.195 25 HD12 ILE 4 HD12 ILE 4 -7.882 1.923 -2.022 26 HD13 ILE 4 HD13 ILE 4 -9.647 1.748 -1.866 27 H VAL 5 HN VAL 5 -8.239 6.298 2.703 28 HA VAL 5 HA VAL 5 -5.895 5.668 4.127 29 HB VAL 5 HB VAL 5 -8.578 6.634 5.135 30 HG11 VAL 5 HG11 VAL 5 -7.647 6.693 7.158 31 HG12 VAL 5 HG12 VAL 5 -6.158 5.975 6.497 32 HG13 VAL 5 HG13 VAL 5 -6.350 7.744 6.542 33 HG21 VAL 5 HG21 VAL 5 -7.425 8.914 4.954 34 HG22 VAL 5 HG22 VAL 5 -6.249 8.108 3.889 35 HG23 VAL 5 HG23 VAL 5 -7.970 8.158 3.437 36 H LEU 6 HN LEU 6 -5.337 3.878 5.262 37 HA LEU 6 HA LEU 6 -7.327 1.782 5.468 38 HB2 LEU 6 HB2 LEU 6 -4.345 1.891 5.897 39 HB3 LEU 6 HB3 LEU 6 -5.308 0.479 6.286 40 HG LEU 6 HG LEU 6 -5.256 1.712 3.524 41 HD11 LEU 6 HD11 LEU 6 -3.667 -0.731 4.263 42 HD12 LEU 6 HD12 LEU 6 -3.502 0.350 2.859 43 HD13 LEU 6 HD13 LEU 6 -2.983 0.899 4.471 44 HD21 LEU 6 HD21 LEU 6 -7.012 -0.087 4.585 45 HD22 LEU 6 HD22 LEU 6 -6.607 0.051 2.857 46 HD23 LEU 6 HD23 LEU 6 -5.788 -1.163 3.869 47 H LYS 7 HN LYS 7 -7.065 0.422 7.657 48 HA LYS 7 HA LYS 7 -7.543 2.388 9.767 49 HB2 LYS 7 HB2 LYS 7 -8.687 0.460 10.898 50 HB3 LYS 7 HB3 LYS 7 -9.433 0.998 9.406 51 HG2 LYS 7 HG2 LYS 7 -8.836 -0.924 8.239 52 HG3 LYS 7 HG3 LYS 7 -7.357 -1.155 9.150 53 HD2 LYS 7 HD2 LYS 7 -8.608 -2.881 10.062 54 HD3 LYS 7 HD3 LYS 7 -9.062 -1.604 11.173 55 HE2 LYS 7 HE2 LYS 7 -11.229 -1.922 10.584 56 HE3 LYS 7 HE3 LYS 7 -10.846 -1.329 8.980 57 HZ1 LYS 7 HZ1 LYS 7 -10.018 -4.045 9.298 58 HZ2 LYS 7 HZ2 LYS 7 -11.611 -3.893 9.601 59 H ALA 8 HN ALA 8 -5.852 2.818 11.072 60 HA ALA 8 HA ALA 8 -4.410 0.621 12.226 61 HB1 ALA 8 HB1 ALA 8 -3.396 1.791 9.858 62 HB2 ALA 8 HB2 ALA 8 -2.431 2.474 11.189 63 HB3 ALA 8 HB3 ALA 8 -2.539 0.709 10.983 64 H LYS 9 HN LYS 9 -4.643 1.186 14.334 65 HA LYS 9 HA LYS 9 -4.989 3.882 15.114 66 HB2 LYS 9 HB2 LYS 9 -5.181 3.015 17.329 67 HB3 LYS 9 HB3 LYS 9 -5.989 1.896 16.250 68 HG2 LYS 9 HG2 LYS 9 -4.717 0.270 17.206 69 HG3 LYS 9 HG3 LYS 9 -3.384 0.907 16.264 70 HD2 LYS 9 HD2 LYS 9 -2.820 2.473 18.150 71 HD3 LYS 9 HD3 LYS 9 -4.130 1.790 19.093 72 HE2 LYS 9 HE2 LYS 9 -3.058 -0.358 19.242 73 HE3 LYS 9 HE3 LYS 9 -1.934 0.019 17.951 74 HZ1 LYS 9 HZ1 LYS 9 -1.921 1.659 20.402 75 HZ2 LYS 9 HZ2 LYS 9 -1.140 0.231 20.389 76 H ASN 10 HN ASN 10 -2.253 2.141 14.125 77 HA ASN 10 HA ASN 10 -0.471 3.406 15.973 78 HB2 ASN 10 HB2 ASN 10 0.011 1.693 13.479 79 HB3 ASN 10 HB3 ASN 10 1.299 2.278 14.514 80 HD21 ASN 10 HD21 ASN 10 1.836 1.196 16.281 81 HD22 ASN 10 HD22 ASN 10 0.997 -0.167 16.944 82 H GLY 11 HN GLY 11 -2.256 4.451 13.371 83 HA2 GLY 11 HA1 GLY 11 -1.723 6.794 12.764 84 HA3 GLY 11 HA2 GLY 11 -0.116 6.226 12.356 85 H ASP 12 HN ASP 12 -3.240 6.865 11.154 86 HA ASP 12 HA ASP 12 -3.850 4.997 9.380 87 HB2 ASP 12 HB2 ASP 12 -4.093 7.935 9.512 88 HB3 ASP 12 HB3 ASP 12 -4.078 7.357 7.858 89 HD2 ASP 12 HD2 ASP 12 -6.985 5.266 9.033 90 H VAL 13 HN VAL 13 -3.246 4.515 7.127 91 HA VAL 13 HA VAL 13 -0.600 5.570 6.400 92 HB VAL 13 HB VAL 13 -1.775 2.835 5.862 93 HG11 VAL 13 HG11 VAL 13 0.562 4.281 4.797 94 HG12 VAL 13 HG12 VAL 13 0.928 2.655 5.420 95 HG13 VAL 13 HG13 VAL 13 -0.306 2.866 4.155 96 HG21 VAL 13 HG21 VAL 13 -0.927 2.129 7.801 97 HG22 VAL 13 HG22 VAL 13 0.658 2.851 7.429 98 HG23 VAL 13 HG23 VAL 13 -0.602 3.828 8.222 99 H LYS 14 HN LYS 14 -1.598 7.340 5.249 100 HA LYS 14 HA LYS 14 -3.618 7.013 3.375 101 HB2 LYS 14 HB2 LYS 14 -3.140 9.189 4.157 102 HB3 LYS 14 HB3 LYS 14 -1.440 9.068 3.754 103 HG2 LYS 14 HG2 LYS 14 -2.664 8.596 1.291 104 HG3 LYS 14 HG3 LYS 14 -3.741 9.770 2.021 105 HD2 LYS 14 HD2 LYS 14 -2.230 11.462 1.792 106 HD3 LYS 14 HD3 LYS 14 -0.924 10.496 2.451 107 HE2 LYS 14 HE2 LYS 14 -0.247 9.715 0.361 108 HE3 LYS 14 HE3 LYS 14 -1.864 9.775 -0.312 109 HZ1 LYS 14 HZ1 LYS 14 -1.416 12.374 0.110 110 HZ2 LYS 14 HZ2 LYS 14 0.117 11.897 -0.165 111 H LEU 15 HN LEU 15 -3.654 5.738 1.610 112 HA LEU 15 HA LEU 15 -1.089 5.287 0.258 113 HB2 LEU 15 HB2 LEU 15 -1.812 3.219 0.959 114 HB3 LEU 15 HB3 LEU 15 -3.507 3.599 0.726 115 HG LEU 15 HG LEU 15 -2.724 3.699 -1.841 116 HD11 LEU 15 HD11 LEU 15 -0.836 2.631 -2.385 117 HD12 LEU 15 HD12 LEU 15 -0.376 2.875 -0.683 118 HD13 LEU 15 HD13 LEU 15 -1.109 1.336 -1.194 119 HD21 LEU 15 HD21 LEU 15 -4.184 1.949 -0.203 120 HD22 LEU 15 HD22 LEU 15 -4.207 2.055 -1.979 121 HD23 LEU 15 HD23 LEU 15 -3.104 0.916 -1.170 122 HA PRO 16 HA PRO 16 -2.854 8.198 -2.647 123 HB2 PRO 16 HB2 PRO 16 -0.226 7.588 -3.973 124 HB3 PRO 16 HB3 PRO 16 -0.948 9.153 -3.474 125 HG2 PRO 16 HG2 PRO 16 1.145 8.083 -1.992 126 HG3 PRO 16 HG3 PRO 16 -0.304 9.024 -1.511 127 HD2 PRO 16 HD2 PRO 16 0.174 5.992 -1.442 128 HD3 PRO 16 HD3 PRO 16 -0.421 7.053 -0.130 129 H HIS 17 HN HIS 17 -4.240 5.958 -2.926 130 HA HIS 17 HA HIS 17 -3.611 4.022 -4.651 131 HB2 HIS 17 HB2 HIS 17 -5.768 4.390 -3.391 132 HB3 HIS 17 HB3 HIS 17 -6.273 5.464 -4.680 133 HD1 HIS 17 HD1 HIS 17 -7.478 4.394 -6.604 134 HD2 HIS 17 HD2 HIS 17 -5.215 1.628 -4.406 135 HE1 HIS 17 HE1 HIS 17 -8.012 2.097 -7.579 136 H LYS 18 HN LYS 18 -4.962 7.257 -5.609 137 HA LYS 18 HA LYS 18 -4.946 6.859 -8.322 138 HB2 LYS 18 HB2 LYS 18 -5.984 8.767 -7.155 139 HB3 LYS 18 HB3 LYS 18 -4.400 9.422 -6.794 140 HG2 LYS 18 HG2 LYS 18 -5.354 10.512 -8.800 141 HG3 LYS 18 HG3 LYS 18 -3.898 9.630 -9.214 142 HD2 LYS 18 HD2 LYS 18 -5.022 8.215 -10.604 143 HD3 LYS 18 HD3 LYS 18 -6.277 7.915 -9.419 144 HE2 LYS 18 HE2 LYS 18 -7.466 8.999 -11.144 145 HE3 LYS 18 HE3 LYS 18 -7.147 10.313 -10.030 146 HZ1 LYS 18 HZ1 LYS 18 -5.459 11.142 -11.410 147 HZ2 LYS 18 HZ2 LYS 18 -5.246 9.745 -12.218 148 H ALA 19 HN ALA 19 -2.308 8.334 -6.300 149 HA ALA 19 HA ALA 19 -0.479 8.622 -8.344 150 HB1 ALA 19 HB1 ALA 19 -0.602 9.037 -5.586 151 HB2 ALA 19 HB2 ALA 19 0.714 7.855 -5.780 152 HB3 ALA 19 HB3 ALA 19 0.779 9.408 -6.646 153 H HIS 20 HN HIS 20 -1.005 5.830 -6.088 154 HA HIS 20 HA HIS 20 1.033 4.270 -7.183 155 HB2 HIS 20 HB2 HIS 20 -1.382 3.743 -5.479 156 HB3 HIS 20 HB3 HIS 20 -0.484 2.389 -6.134 157 HD1 HIS 20 HD1 HIS 20 -0.104 5.327 -3.768 158 HD2 HIS 20 HD2 HIS 20 1.978 1.870 -4.911 159 HE1 HIS 20 HE1 HIS 20 1.804 5.057 -2.096 160 H GLN 21 HN GLN 21 -2.197 5.088 -8.283 161 HA GLN 21 HA GLN 21 -2.435 2.804 -9.955 162 HB2 GLN 21 HB2 GLN 21 -4.003 5.347 -9.522 163 HB3 GLN 21 HB3 GLN 21 -4.319 4.400 -10.962 164 HG2 GLN 21 HG2 GLN 21 -4.925 2.447 -9.670 165 HG3 GLN 21 HG3 GLN 21 -4.279 3.134 -8.192 166 HE21 GLN 21 HE21 GLN 21 -7.018 2.508 -9.884 167 HE22 GLN 21 HE22 GLN 21 -8.118 3.652 -9.189 168 H LYS 22 HN LYS 22 -0.543 5.620 -10.055 169 HA LYS 22 HA LYS 22 -0.514 5.604 -12.990 170 HB2 LYS 22 HB2 LYS 22 -1.117 7.760 -12.004 171 HB3 LYS 22 HB3 LYS 22 0.340 7.756 -11.031 172 HG2 LYS 22 HG2 LYS 22 0.743 7.354 -13.972 173 HG3 LYS 22 HG3 LYS 22 0.166 8.939 -13.494 174 HD2 LYS 22 HD2 LYS 22 2.199 8.356 -11.622 175 HD3 LYS 22 HD3 LYS 22 2.829 7.743 -13.138 176 HE2 LYS 22 HE2 LYS 22 1.834 10.146 -13.998 177 HE3 LYS 22 HE3 LYS 22 2.211 10.564 -12.338 178 HZ1 LYS 22 HZ1 LYS 22 4.457 9.351 -12.941 179 HZ2 LYS 22 HZ2 LYS 22 4.051 9.746 -14.467 180 H ALA 23 HN ALA 23 1.438 5.378 -9.986 181 HA ALA 23 HA ALA 23 3.904 5.137 -11.378 182 HB1 ALA 23 HB1 ALA 23 2.888 4.959 -8.578 183 HB2 ALA 23 HB2 ALA 23 4.404 4.095 -8.931 184 HB3 ALA 23 HB3 ALA 23 4.286 5.845 -9.234 185 H VAL 24 HN VAL 24 1.253 2.980 -10.505 186 HA VAL 24 HA VAL 24 2.832 0.764 -11.607 187 HB VAL 24 HB VAL 24 1.009 0.796 -9.202 188 HG11 VAL 24 HG11 VAL 24 0.322 -1.247 -9.827 189 HG12 VAL 24 HG12 VAL 24 1.561 -1.371 -11.099 190 HG13 VAL 24 HG13 VAL 24 1.967 -1.789 -9.417 191 HG21 VAL 24 HG21 VAL 24 3.200 -0.523 -8.398 192 HG22 VAL 24 HG22 VAL 24 3.939 0.487 -9.665 193 HG23 VAL 24 HG23 VAL 24 3.062 1.250 -8.316 194 HA PRO 25 HA PRO 25 -0.848 1.962 -14.218 195 HB2 PRO 25 HB2 PRO 25 1.080 0.562 -16.095 196 HB3 PRO 25 HB3 PRO 25 0.075 2.028 -16.333 197 HG2 PRO 25 HG2 PRO 25 2.773 2.248 -15.806 198 HG3 PRO 25 HG3 PRO 25 1.407 3.300 -15.309 199 HD2 PRO 25 HD2 PRO 25 2.989 1.236 -13.720 200 HD3 PRO 25 HD3 PRO 25 2.351 2.822 -13.191 201 H ASP 26 HN ASP 26 0.961 -1.000 -13.398 202 HA ASP 26 HA ASP 26 -1.035 -2.631 -14.654 203 HB2 ASP 26 HB2 ASP 26 0.807 -3.948 -12.755 204 HB3 ASP 26 HB3 ASP 26 0.499 -4.318 -14.440 205 HD2 ASP 26 HD2 ASP 26 2.544 -2.837 -12.300 206 H CYS 27 HN CYS 27 -3.008 -2.555 -13.509 207 HA CYS 27 HA CYS 27 -2.963 -2.401 -10.641 208 HB2 CYS 27 HB2 CYS 27 -5.474 -2.874 -12.185 209 HB3 CYS 27 HB3 CYS 27 -5.206 -1.916 -10.743 210 H LYS 28 HN LYS 28 -1.577 -4.653 -11.217 211 HA LYS 28 HA LYS 28 -3.522 -6.776 -10.662 212 HB2 LYS 28 HB2 LYS 28 -1.060 -7.346 -12.286 213 HB3 LYS 28 HB3 LYS 28 -2.553 -8.255 -12.172 214 HG2 LYS 28 HG2 LYS 28 -3.504 -5.862 -13.147 215 HG3 LYS 28 HG3 LYS 28 -1.903 -5.877 -13.858 216 HD2 LYS 28 HD2 LYS 28 -2.884 -8.519 -14.209 217 HD3 LYS 28 HD3 LYS 28 -4.250 -7.480 -14.562 218 HE2 LYS 28 HE2 LYS 28 -2.699 -6.122 -16.091 219 HE3 LYS 28 HE3 LYS 28 -1.486 -7.364 -15.853 220 HZ1 LYS 28 HZ1 LYS 28 -3.761 -7.443 -17.551 221 HZ2 LYS 28 HZ2 LYS 28 -2.508 -8.481 -17.496 222 H LYS 29 HN LYS 29 0.012 -5.921 -10.664 223 HA LYS 29 HA LYS 29 0.839 -7.735 -8.806 224 HB2 LYS 29 HB2 LYS 29 2.393 -6.395 -10.054 225 HB3 LYS 29 HB3 LYS 29 1.781 -4.910 -9.354 226 HG2 LYS 29 HG2 LYS 29 3.706 -5.312 -8.058 227 HG3 LYS 29 HG3 LYS 29 2.436 -5.969 -7.044 228 HD2 LYS 29 HD2 LYS 29 3.134 -8.148 -7.335 229 HD3 LYS 29 HD3 LYS 29 3.566 -7.900 -9.016 230 HE2 LYS 29 HE2 LYS 29 5.252 -6.498 -6.953 231 HE3 LYS 29 HE3 LYS 29 5.425 -8.238 -7.073 232 HZ1 LYS 29 HZ1 LYS 29 6.918 -6.933 -8.583 233 HZ2 LYS 29 HZ2 LYS 29 6.012 -8.030 -9.376 234 H CYS 30 HN CYS 30 -1.273 -4.974 -8.384 235 HA CYS 30 HA CYS 30 -0.936 -5.161 -5.491 236 HB2 CYS 30 HB2 CYS 30 -1.632 -2.982 -7.337 237 HB3 CYS 30 HB3 CYS 30 -2.710 -3.084 -5.959 238 H HIS 31 HN HIS 31 -3.169 -5.583 -8.254 239 HA HIS 31 HA HIS 31 -5.182 -6.570 -6.370 240 HB2 HIS 31 HB2 HIS 31 -5.425 -5.315 -9.107 241 HB3 HIS 31 HB3 HIS 31 -6.732 -6.241 -8.394 242 HD1 HIS 31 HD1 HIS 31 -7.531 -5.306 -5.903 243 HD2 HIS 31 HD2 HIS 31 -5.410 -2.672 -8.385 244 HE1 HIS 31 HE1 HIS 31 -7.984 -2.959 -5.009 245 H GLU 32 HN GLU 32 -4.973 -8.747 -6.148 246 HA GLU 32 HA GLU 32 -3.779 -10.299 -8.161 247 HB2 GLU 32 HB2 GLU 32 -3.687 -10.825 -5.715 248 HB3 GLU 32 HB3 GLU 32 -5.404 -11.176 -5.732 249 HG2 GLU 32 HG2 GLU 32 -3.746 -12.608 -7.781 250 HG3 GLU 32 HG3 GLU 32 -3.481 -13.076 -6.114 251 HE2 GLU 32 HE2 GLU 32 -6.297 -14.906 -7.717 252 H LYS 33 HN LYS 33 -6.788 -11.531 -6.736 253 HA LYS 33 HA LYS 33 -7.802 -12.672 -8.931 254 HB2 LYS 33 HB2 LYS 33 -9.075 -11.460 -6.502 255 HB3 LYS 33 HB3 LYS 33 -10.108 -12.050 -7.788 256 HG2 LYS 33 HG2 LYS 33 -9.749 -14.203 -7.172 257 HG3 LYS 33 HG3 LYS 33 -8.013 -14.002 -7.301 258 HD2 LYS 33 HD2 LYS 33 -8.227 -14.506 -5.026 259 HD3 LYS 33 HD3 LYS 33 -8.239 -12.754 -4.977 260 HE2 LYS 33 HE2 LYS 33 -10.837 -12.946 -5.170 261 HE3 LYS 33 HE3 LYS 33 -10.620 -14.642 -4.785 262 HZ1 LYS 33 HZ1 LYS 33 -10.958 -12.993 -2.854 263 HZ2 LYS 33 HZ2 LYS 33 -9.787 -14.110 -2.674 264 H GLY 34 HN GLY 34 -7.700 -9.206 -8.207 265 HA2 GLY 34 HA1 GLY 34 -7.767 -8.128 -10.593 266 HA3 GLY 34 HA2 GLY 34 -9.450 -8.601 -10.475 267 HA PRO 35 HA PRO 35 -8.534 -4.271 -8.686 268 HB2 PRO 35 HB2 PRO 35 -10.693 -3.198 -10.132 269 HB3 PRO 35 HB3 PRO 35 -8.981 -3.201 -10.666 270 HG2 PRO 35 HG2 PRO 35 -11.067 -5.050 -11.070 271 HG3 PRO 35 HG3 PRO 35 -10.250 -4.716 -12.631 272 HD2 PRO 35 HD2 PRO 35 -9.398 -6.874 -11.649 273 HD3 PRO 35 HD3 PRO 35 -8.115 -5.629 -11.551 274 H GLY 36 HN GLY 36 -9.367 -4.256 -6.596 275 HA2 GLY 36 HA1 GLY 36 -11.814 -3.714 -5.790 276 HA3 GLY 36 HA2 GLY 36 -12.016 -5.413 -6.165 277 H LYS 37 HN LYS 37 -12.423 -5.869 -3.894 278 HA LYS 37 HA LYS 37 -10.584 -5.183 -1.889 279 HB2 LYS 37 HB2 LYS 37 -11.934 -6.433 -0.463 280 HB3 LYS 37 HB3 LYS 37 -13.049 -5.882 -1.696 281 HG2 LYS 37 HG2 LYS 37 -12.924 -8.049 -2.857 282 HG3 LYS 37 HG3 LYS 37 -11.666 -8.604 -1.772 283 HD2 LYS 37 HD2 LYS 37 -13.506 -9.573 -0.736 284 HD3 LYS 37 HD3 LYS 37 -13.479 -8.041 0.115 285 HE2 LYS 37 HE2 LYS 37 -15.656 -7.851 -0.555 286 HE3 LYS 37 HE3 LYS 37 -14.986 -7.370 -2.101 287 HZ1 LYS 37 HZ1 LYS 37 -15.084 -10.222 -1.824 288 HZ2 LYS 37 HZ2 LYS 37 -16.565 -9.561 -1.676 289 H ILE 38 HN ILE 38 -9.055 -6.546 -0.744 290 HA ILE 38 HA ILE 38 -7.990 -8.657 -2.488 291 HB ILE 38 HB ILE 38 -6.448 -6.889 -0.588 292 HG12 ILE 38 HG12 ILE 38 -6.521 -6.678 -3.607 293 HG13 ILE 38 HG13 ILE 38 -7.509 -5.684 -2.556 294 HG21 ILE 38 HG21 ILE 38 -5.779 -9.358 -1.614 295 HG22 ILE 38 HG22 ILE 38 -5.023 -8.230 -2.765 296 HG23 ILE 38 HG23 ILE 38 -4.640 -8.121 -1.030 297 HD11 ILE 38 HD11 ILE 38 -5.469 -4.843 -1.405 298 HD12 ILE 38 HD12 ILE 38 -4.461 -5.859 -2.464 299 HD13 ILE 38 HD13 ILE 38 -5.408 -4.518 -3.154 300 H GLU 39 HN GLU 39 -7.727 -10.679 -1.626 301 HA GLU 39 HA GLU 39 -8.561 -10.918 1.147 302 HB2 GLU 39 HB2 GLU 39 -9.009 -12.486 -1.291 303 HB3 GLU 39 HB3 GLU 39 -8.419 -13.497 0.014 304 HG2 GLU 39 HG2 GLU 39 -10.247 -12.952 1.439 305 HG3 GLU 39 HG3 GLU 39 -10.644 -11.501 0.539 306 HE2 GLU 39 HE2 GLU 39 -12.349 -11.932 -1.120 307 H GLY 40 HN GLY 40 -6.907 -11.041 2.600 308 HA2 GLY 40 HA1 GLY 40 -5.184 -12.734 3.272 309 HA3 GLY 40 HA2 GLY 40 -4.426 -12.394 1.729 310 H PHE 41 HN PHE 41 -4.824 -9.568 1.544 311 HA PHE 41 HA PHE 41 -2.686 -8.698 3.159 312 HB2 PHE 41 HB2 PHE 41 -3.361 -7.858 0.854 313 HB3 PHE 41 HB3 PHE 41 -4.842 -7.216 1.536 314 HD1 PHE 41 HD1 PHE 41 -4.597 -5.425 3.383 315 HD2 PHE 41 HD2 PHE 41 -1.446 -6.531 0.764 316 HE1 PHE 41 HE1 PHE 41 -3.433 -3.254 3.866 317 HE2 PHE 41 HE2 PHE 41 -0.282 -4.360 1.248 318 HZ PHE 41 HZ PHE 41 -1.290 -2.748 2.793 319 H GLY 42 HN GLY 42 -2.633 -7.327 4.971 320 HA2 GLY 42 HA1 GLY 42 -4.942 -6.052 6.016 321 HA3 GLY 42 HA2 GLY 42 -4.652 -7.562 6.855 322 H LYS 43 HN LYS 43 -1.728 -7.583 6.579 323 HA LYS 43 HA LYS 43 -0.775 -5.129 7.705 324 HB2 LYS 43 HB2 LYS 43 -1.982 -6.534 9.578 325 HB3 LYS 43 HB3 LYS 43 -0.516 -7.492 9.541 326 HG2 LYS 43 HG2 LYS 43 0.433 -4.844 9.522 327 HG3 LYS 43 HG3 LYS 43 -0.946 -4.774 10.600 328 HD2 LYS 43 HD2 LYS 43 0.536 -7.183 11.201 329 HD3 LYS 43 HD3 LYS 43 1.673 -5.851 11.128 330 HE2 LYS 43 HE2 LYS 43 1.021 -5.324 13.242 331 HE3 LYS 43 HE3 LYS 43 -0.482 -4.752 12.545 332 HZ1 LYS 43 HZ1 LYS 43 -1.043 -7.330 12.693 333 HZ2 LYS 43 HZ2 LYS 43 0.040 -7.283 13.908 334 H GLU 44 HN GLU 44 0.289 -8.544 8.220 335 HA GLU 44 HA GLU 44 2.845 -8.294 7.746 336 HB2 GLU 44 HB2 GLU 44 0.889 -10.464 7.086 337 HB3 GLU 44 HB3 GLU 44 2.493 -10.632 6.401 338 HG2 GLU 44 HG2 GLU 44 1.910 -11.550 8.859 339 HG3 GLU 44 HG3 GLU 44 3.503 -10.935 8.464 340 HE2 GLU 44 HE2 GLU 44 4.089 -9.010 9.435 341 H MET 45 HN MET 45 0.401 -8.709 5.093 342 HA MET 45 HA MET 45 2.082 -8.731 2.982 343 HB2 MET 45 HB2 MET 45 -0.711 -7.630 3.458 344 HB3 MET 45 HB3 MET 45 0.027 -7.374 1.890 345 HG2 MET 45 HG2 MET 45 0.535 -10.091 2.394 346 HG3 MET 45 HG3 MET 45 -1.070 -9.856 3.058 347 HE1 MET 45 HE1 MET 45 -0.758 -11.193 -0.891 348 HE2 MET 45 HE2 MET 45 0.512 -11.230 0.356 349 HE3 MET 45 HE3 MET 45 -1.122 -11.826 0.732 350 H ALA 46 HN ALA 46 0.573 -5.783 4.490 351 HA ALA 46 HA ALA 46 1.824 -3.938 2.832 352 HB1 ALA 46 HB1 ALA 46 0.872 -3.716 5.717 353 HB2 ALA 46 HB2 ALA 46 1.261 -2.338 4.659 354 HB3 ALA 46 HB3 ALA 46 -0.097 -3.415 4.254 355 H HIS 47 HN HIS 47 2.858 -5.479 5.925 356 HA HIS 47 HA HIS 47 5.260 -3.931 5.993 357 HB2 HIS 47 HB2 HIS 47 4.375 -6.338 7.610 358 HB3 HIS 47 HB3 HIS 47 5.806 -5.380 7.933 359 HD1 HIS 47 HD1 HIS 47 2.887 -5.782 9.563 360 HD2 HIS 47 HD2 HIS 47 4.502 -2.359 7.755 361 HE1 HIS 47 HE1 HIS 47 1.769 -3.784 10.689 362 H GLY 48 HN GLY 48 4.300 -6.143 3.823 363 HA2 GLY 48 HA1 GLY 48 7.028 -6.984 3.272 364 HA3 GLY 48 HA2 GLY 48 5.895 -8.272 3.631 365 H LYS 49 HN LYS 49 5.558 -9.231 1.638 366 HA LYS 49 HA LYS 49 5.480 -7.821 -0.769 367 HB2 LYS 49 HB2 LYS 49 5.679 -10.429 -0.067 368 HB3 LYS 49 HB3 LYS 49 4.001 -10.389 -0.568 369 HG2 LYS 49 HG2 LYS 49 4.588 -9.520 -2.765 370 HG3 LYS 49 HG3 LYS 49 6.243 -9.220 -2.274 371 HD2 LYS 49 HD2 LYS 49 6.619 -11.663 -1.977 372 HD3 LYS 49 HD3 LYS 49 4.950 -11.987 -2.403 373 HE2 LYS 49 HE2 LYS 49 6.309 -10.313 -4.422 374 HE3 LYS 49 HE3 LYS 49 7.116 -11.851 -4.187 375 HZ1 LYS 49 HZ1 LYS 49 5.221 -13.013 -4.849 376 HZ2 LYS 49 HZ2 LYS 49 4.186 -11.804 -4.504 377 H GLY 50 HN GLY 50 4.126 -5.957 -0.294 378 HA2 GLY 50 HA1 GLY 50 1.469 -6.290 -1.188 379 HA3 GLY 50 HA2 GLY 50 1.474 -6.108 0.555 380 H CYS 51 HN CYS 51 3.623 -4.344 0.997 381 HA CYS 51 HA CYS 51 3.002 -2.045 -0.685 382 HB2 CYS 51 HB2 CYS 51 3.038 -1.899 2.333 383 HB3 CYS 51 HB3 CYS 51 2.732 -0.586 1.215 384 H LYS 52 HN LYS 52 4.930 -3.270 2.153 385 HA LYS 52 HA LYS 52 7.128 -1.582 1.593 386 HB2 LYS 52 HB2 LYS 52 6.288 -3.349 3.659 387 HB3 LYS 52 HB3 LYS 52 7.876 -3.881 3.145 388 HG2 LYS 52 HG2 LYS 52 7.530 -0.920 3.447 389 HG3 LYS 52 HG3 LYS 52 7.466 -1.849 4.932 390 HD2 LYS 52 HD2 LYS 52 9.665 -2.796 3.256 391 HD3 LYS 52 HD3 LYS 52 9.790 -1.063 3.487 392 HE2 LYS 52 HE2 LYS 52 9.765 -1.296 5.911 393 HE3 LYS 52 HE3 LYS 52 9.319 -2.987 5.807 394 HZ1 LYS 52 HZ1 LYS 52 11.611 -3.074 6.110 395 HZ2 LYS 52 HZ2 LYS 52 11.536 -3.178 4.487 396 H GLY 53 HN GLY 53 6.488 -5.112 1.053 397 HA2 GLY 53 HA1 GLY 53 8.759 -6.019 -0.005 398 HA3 GLY 53 HA2 GLY 53 7.188 -6.410 -0.678 399 H CYS 54 HN CYS 54 6.344 -3.992 -1.815 400 HA CYS 54 HA CYS 54 7.949 -3.970 -4.151 401 HB2 CYS 54 HB2 CYS 54 5.453 -3.732 -4.132 402 HB3 CYS 54 HB3 CYS 54 5.639 -2.138 -3.428 403 H HIS 55 HN HIS 55 7.337 -1.798 -1.337 404 HA HIS 55 HA HIS 55 8.740 0.399 -2.291 405 HB2 HIS 55 HB2 HIS 55 8.190 -0.558 0.529 406 HB3 HIS 55 HB3 HIS 55 8.904 0.997 0.154 407 HD1 HIS 55 HD1 HIS 55 6.180 0.820 1.617 408 HD2 HIS 55 HD2 HIS 55 6.599 1.215 -2.538 409 HE1 HIS 55 HE1 HIS 55 3.996 1.834 0.772 410 H GLU 56 HN GLU 56 9.795 -2.445 -0.319 411 HA GLU 56 HA GLU 56 12.460 -1.481 -0.223 412 HB2 GLU 56 HB2 GLU 56 12.833 -3.932 0.641 413 HB3 GLU 56 HB3 GLU 56 11.924 -2.806 1.629 414 HG2 GLU 56 HG2 GLU 56 9.937 -3.931 1.332 415 HG3 GLU 56 HG3 GLU 56 10.270 -4.292 -0.350 416 HE2 GLU 56 HE2 GLU 56 9.466 -5.976 1.915 417 H GLU 57 HN GLU 57 10.513 -3.331 -2.464 418 HA GLU 57 HA GLU 57 12.755 -4.638 -3.647 419 HB2 GLU 57 HB2 GLU 57 10.665 -5.819 -3.727 420 HB3 GLU 57 HB3 GLU 57 9.807 -4.427 -4.357 421 HG2 GLU 57 HG2 GLU 57 10.251 -6.086 -6.150 422 HG3 GLU 57 HG3 GLU 57 11.056 -4.566 -6.486 423 HE2 GLU 57 HE2 GLU 57 11.596 -7.793 -6.359 424 H MET 58 HN MET 58 10.639 -1.802 -4.313 425 HA MET 58 HA MET 58 12.127 -1.271 -6.724 426 HB2 MET 58 HB2 MET 58 9.746 0.075 -5.339 427 HB3 MET 58 HB3 MET 58 10.452 0.705 -6.814 428 HG2 MET 58 HG2 MET 58 10.102 -1.831 -7.654 429 HG3 MET 58 HG3 MET 58 8.880 -1.838 -6.398 430 HE1 MET 58 HE1 MET 58 9.328 -1.917 -9.571 431 HE2 MET 58 HE2 MET 58 7.550 -1.997 -9.598 432 HE3 MET 58 HE3 MET 58 8.395 -0.704 -10.481 433 H LYS 59 HN LYS 59 11.538 0.130 -3.452 434 HA LYS 59 HA LYS 59 12.853 1.427 -2.213 435 HB2 LYS 59 HB2 LYS 59 14.811 1.666 -4.509 436 HB3 LYS 59 HB3 LYS 59 15.109 1.954 -2.806 437 HG2 LYS 59 HG2 LYS 59 14.080 -0.762 -3.635 438 HG3 LYS 59 HG3 LYS 59 15.758 -0.379 -3.959 439 HD2 LYS 59 HD2 LYS 59 15.151 0.475 -1.264 440 HD3 LYS 59 HD3 LYS 59 14.564 -1.164 -1.458 441 HE2 LYS 59 HE2 LYS 59 16.744 -1.977 -2.118 442 HE3 LYS 59 HE3 LYS 59 17.362 -0.354 -2.350 443 HZ1 LYS 59 HZ1 LYS 59 16.822 -1.739 0.190 444 HZ2 LYS 59 HZ2 LYS 59 18.147 -0.899 -0.246 445 H LYS 60 HN LYS 60 10.591 2.385 -3.455 446 HA LYS 60 HA LYS 60 11.439 5.115 -4.117 447 HB2 LYS 60 HB2 LYS 60 10.425 3.442 -5.992 448 HB3 LYS 60 HB3 LYS 60 8.934 4.106 -5.355 449 HG2 LYS 60 HG2 LYS 60 9.878 6.431 -5.671 450 HG3 LYS 60 HG3 LYS 60 11.309 5.724 -6.395 451 HD2 LYS 60 HD2 LYS 60 9.538 4.503 -7.977 452 HD3 LYS 60 HD3 LYS 60 8.484 5.809 -7.474 453 HE2 LYS 60 HE2 LYS 60 9.454 7.094 -9.076 454 HE3 LYS 60 HE3 LYS 60 10.903 7.113 -8.092 455 HZ1 LYS 60 HZ1 LYS 60 11.699 6.183 -10.030 456 HZ2 LYS 60 HZ2 LYS 60 11.284 4.804 -9.271 457 H GLY 61 HN GLY 61 8.903 2.899 -2.828 458 HA2 GLY 61 HA1 GLY 61 7.417 5.070 -1.646 459 HA3 GLY 61 HA2 GLY 61 7.118 3.350 -1.489 460 HA PRO 62 HA PRO 62 8.965 4.975 2.478 461 HB2 PRO 62 HB2 PRO 62 6.862 4.457 4.116 462 HB3 PRO 62 HB3 PRO 62 6.886 5.903 3.055 463 HG2 PRO 62 HG2 PRO 62 5.123 3.272 2.224 464 HG3 PRO 62 HG3 PRO 62 5.159 5.030 2.581 465 HD2 PRO 62 HD2 PRO 62 5.872 3.675 0.112 466 HD3 PRO 62 HD3 PRO 62 6.051 5.417 0.484 467 H THR 63 HN THR 63 10.072 3.578 3.928 468 HA THR 63 HA THR 63 9.139 0.810 4.043 469 HB THR 63 HB THR 63 11.717 0.266 3.709 470 HG1 THR 63 HG1 THR 63 12.668 1.969 2.381 471 HG21 THR 63 HG21 THR 63 11.138 -0.428 1.600 472 HG22 THR 63 HG22 THR 63 9.536 0.275 1.929 473 HG23 THR 63 HG23 THR 63 10.774 1.235 1.083 474 H LYS 64 HN LYS 64 9.052 3.155 5.873 475 HA LYS 64 HA LYS 64 10.490 1.847 8.053 476 HB2 LYS 64 HB2 LYS 64 11.368 4.240 6.889 477 HB3 LYS 64 HB3 LYS 64 10.522 4.743 8.338 478 HG2 LYS 64 HG2 LYS 64 11.850 2.954 9.613 479 HG3 LYS 64 HG3 LYS 64 12.800 2.720 8.159 480 HD2 LYS 64 HD2 LYS 64 12.502 5.561 9.042 481 HD3 LYS 64 HD3 LYS 64 13.421 4.537 10.126 482 HE2 LYS 64 HE2 LYS 64 15.019 3.967 8.408 483 HE3 LYS 64 HE3 LYS 64 13.990 4.592 7.134 484 HZ1 LYS 64 HZ1 LYS 64 15.788 6.036 8.855 485 HZ2 LYS 64 HZ2 LYS 64 15.193 6.470 7.403 486 H CYS 65 HN CYS 65 9.539 2.296 10.180 487 HA CYS 65 HA CYS 65 6.786 2.137 10.125 488 HB2 CYS 65 HB2 CYS 65 8.260 3.150 12.535 489 HB3 CYS 65 HB3 CYS 65 6.854 2.108 12.454 490 H GLY 66 HN GLY 66 9.045 4.904 10.675 491 HA2 GLY 66 HA1 GLY 66 6.850 6.770 11.038 492 HA3 GLY 66 HA2 GLY 66 8.569 7.108 11.092 493 H GLU 67 HN GLU 67 7.589 5.157 8.378 494 HA GLU 67 HA GLU 67 7.689 7.556 6.720 495 HB2 GLU 67 HB2 GLU 67 9.328 5.225 6.672 496 HB3 GLU 67 HB3 GLU 67 8.308 5.123 5.252 497 HG2 GLU 67 HG2 GLU 67 8.969 7.723 5.019 498 HG3 GLU 67 HG3 GLU 67 10.348 7.222 5.978 499 HE2 GLU 67 HE2 GLU 67 10.316 6.424 2.162 500 H CYS 68 HN CYS 68 5.609 5.316 7.998 501 HA CYS 68 HA CYS 68 3.872 5.521 5.656 502 HB2 CYS 68 HB2 CYS 68 4.876 3.075 6.874 503 HB3 CYS 68 HB3 CYS 68 3.126 3.141 6.946 504 H HIS 69 HN HIS 69 3.960 4.428 9.136 505 HA HIS 69 HA HIS 69 1.327 5.369 9.591 506 HB2 HIS 69 HB2 HIS 69 3.496 4.474 11.509 507 HB3 HIS 69 HB3 HIS 69 1.832 4.794 11.959 508 HD1 HIS 69 HD1 HIS 69 -0.020 3.203 10.684 509 HD2 HIS 69 HD2 HIS 69 3.969 1.905 10.654 510 HE1 HIS 69 HE1 HIS 69 -0.081 0.718 10.108 511 H LYS 70 HN LYS 70 0.878 7.521 9.497 512 HA LYS 70 HA LYS 70 2.554 9.255 11.148 513 HB2 LYS 70 HB2 LYS 70 1.738 9.848 8.287 514 HB3 LYS 70 HB3 LYS 70 2.467 11.003 9.385 515 HG2 LYS 70 HG2 LYS 70 3.777 8.332 8.714 516 HG3 LYS 70 HG3 LYS 70 4.073 9.785 7.780 517 HD2 LYS 70 HD2 LYS 70 4.374 9.980 10.771 518 HD3 LYS 70 HD3 LYS 70 5.608 9.096 9.895 519 HE2 LYS 70 HE2 LYS 70 6.164 11.018 8.535 520 HE3 LYS 70 HE3 LYS 70 4.726 11.884 9.036 521 HZ1 LYS 70 HZ1 LYS 70 7.170 11.378 10.597 522 HZ2 LYS 70 HZ2 LYS 70 6.360 12.778 10.403 523 H LYS 71 HN LYS 71 1.188 9.842 12.752 524 HA LYS 71 HA LYS 71 -1.557 9.719 12.619 525 HB2 LYS 71 HB2 LYS 71 0.084 9.975 14.624 526 HB3 LYS 71 HB3 LYS 71 -0.111 11.698 14.372 527 HG2 LYS 71 HG2 LYS 71 -2.737 10.542 14.256 528 HG3 LYS 71 HG3 LYS 71 -1.936 9.837 15.646 529 HD2 LYS 71 HD2 LYS 71 -2.437 11.741 16.777 530 HD3 LYS 71 HD3 LYS 71 -1.221 12.547 15.806 531 HE2 LYS 71 HE2 LYS 71 -2.781 13.637 14.519 532 HE3 LYS 71 HE3 LYS 71 -3.818 12.228 14.403 533 HZ1 LYS 71 HZ1 LYS 71 -5.112 13.307 15.882 534 HZ2 LYS 71 HZ2 LYS 71 -4.011 12.964 17.031 Start of MODEL 9 1 H1 ALA 1 HN ALA 1 -10.455 10.650 -0.785 2 HA ALA 1 HA ALA 1 -11.808 10.725 -3.323 3 HB1 ALA 1 HB1 ALA 1 -10.316 12.841 -3.111 4 HB2 ALA 1 HB2 ALA 1 -8.947 11.712 -3.255 5 HB3 ALA 1 HB3 ALA 1 -10.142 11.835 -4.568 6 H ASP 2 HN ASP 2 -9.467 9.809 -4.808 7 HA ASP 2 HA ASP 2 -9.626 7.197 -4.578 8 HB2 ASP 2 HB2 ASP 2 -7.826 9.036 -5.775 9 HB3 ASP 2 HB3 ASP 2 -6.798 7.909 -4.911 10 HD2 ASP 2 HD2 ASP 2 -8.336 8.436 -7.692 11 H ASP 3 HN ASP 3 -7.643 9.411 -2.551 12 HA ASP 3 HA ASP 3 -5.915 7.859 -1.325 13 HB2 ASP 3 HB2 ASP 3 -6.023 10.072 -0.535 14 HB3 ASP 3 HB3 ASP 3 -7.759 10.014 -0.298 15 HD2 ASP 3 HD2 ASP 3 -4.929 8.454 0.976 16 H ILE 4 HN ILE 4 -5.955 6.008 -0.005 17 HA ILE 4 HA ILE 4 -8.568 5.266 1.115 18 HB ILE 4 HB ILE 4 -6.652 3.737 -0.553 19 HG12 ILE 4 HG12 ILE 4 -9.657 3.722 -0.165 20 HG13 ILE 4 HG13 ILE 4 -8.769 4.451 -1.488 21 HG21 ILE 4 HG21 ILE 4 -7.753 1.612 0.501 22 HG22 ILE 4 HG22 ILE 4 -6.312 2.343 1.249 23 HG23 ILE 4 HG23 ILE 4 -7.926 2.651 1.935 24 HD11 ILE 4 HD11 ILE 4 -7.779 1.957 -1.725 25 HD12 ILE 4 HD12 ILE 4 -9.321 1.549 -0.935 26 HD13 ILE 4 HD13 ILE 4 -9.319 2.429 -2.482 27 H VAL 5 HN VAL 5 -8.252 6.025 3.199 28 HA VAL 5 HA VAL 5 -5.756 5.618 4.524 29 HB VAL 5 HB VAL 5 -8.419 6.385 5.720 30 HG11 VAL 5 HG11 VAL 5 -7.233 7.269 7.506 31 HG12 VAL 5 HG12 VAL 5 -6.267 5.827 7.108 32 HG13 VAL 5 HG13 VAL 5 -5.730 7.435 6.566 33 HG21 VAL 5 HG21 VAL 5 -7.016 7.743 3.649 34 HG22 VAL 5 HG22 VAL 5 -8.435 8.294 4.571 35 HG23 VAL 5 HG23 VAL 5 -6.795 8.678 5.147 36 H LEU 6 HN LEU 6 -5.089 3.858 5.651 37 HA LEU 6 HA LEU 6 -7.044 1.720 5.987 38 HB2 LEU 6 HB2 LEU 6 -4.027 1.765 6.061 39 HB3 LEU 6 HB3 LEU 6 -4.993 0.352 6.438 40 HG LEU 6 HG LEU 6 -5.169 1.792 3.783 41 HD11 LEU 6 HD11 LEU 6 -3.230 -0.297 4.723 42 HD12 LEU 6 HD12 LEU 6 -3.775 -0.282 3.028 43 HD13 LEU 6 HD13 LEU 6 -2.957 1.143 3.713 44 HD21 LEU 6 HD21 LEU 6 -7.008 0.187 4.673 45 HD22 LEU 6 HD22 LEU 6 -6.408 -0.005 3.008 46 HD23 LEU 6 HD23 LEU 6 -5.833 -1.095 4.292 47 H LYS 7 HN LYS 7 -7.378 0.678 8.020 48 HA LYS 7 HA LYS 7 -7.213 2.496 10.210 49 HB2 LYS 7 HB2 LYS 7 -8.134 -0.393 10.114 50 HB3 LYS 7 HB3 LYS 7 -8.395 0.728 11.435 51 HG2 LYS 7 HG2 LYS 7 -9.310 2.112 9.139 52 HG3 LYS 7 HG3 LYS 7 -9.865 0.466 8.909 53 HD2 LYS 7 HD2 LYS 7 -10.568 0.709 11.495 54 HD3 LYS 7 HD3 LYS 7 -10.561 2.417 11.103 55 HE2 LYS 7 HE2 LYS 7 -12.814 1.527 10.729 56 HE3 LYS 7 HE3 LYS 7 -12.119 1.975 9.184 57 HZ1 LYS 7 HZ1 LYS 7 -11.525 -0.744 9.889 58 HZ2 LYS 7 HZ2 LYS 7 -13.129 -0.484 9.796 59 H ALA 8 HN ALA 8 -5.531 2.770 11.568 60 HA ALA 8 HA ALA 8 -4.014 0.529 12.461 61 HB1 ALA 8 HB1 ALA 8 -1.844 1.285 11.571 62 HB2 ALA 8 HB2 ALA 8 -2.968 0.894 10.248 63 HB3 ALA 8 HB3 ALA 8 -2.657 2.592 10.678 64 H LYS 9 HN LYS 9 -4.137 1.033 14.599 65 HA LYS 9 HA LYS 9 -4.319 3.711 15.488 66 HB2 LYS 9 HB2 LYS 9 -4.081 1.016 16.800 67 HB3 LYS 9 HB3 LYS 9 -3.883 2.469 17.759 68 HG2 LYS 9 HG2 LYS 9 -6.103 3.064 17.576 69 HG3 LYS 9 HG3 LYS 9 -6.225 2.520 15.914 70 HD2 LYS 9 HD2 LYS 9 -5.785 0.172 17.486 71 HD3 LYS 9 HD3 LYS 9 -6.978 1.119 18.353 72 HE2 LYS 9 HE2 LYS 9 -8.583 0.857 16.715 73 HE3 LYS 9 HE3 LYS 9 -7.423 0.969 15.407 74 HZ1 LYS 9 HZ1 LYS 9 -8.241 -1.277 15.522 75 HZ2 LYS 9 HZ2 LYS 9 -6.691 -1.326 16.019 76 H ASN 10 HN ASN 10 -1.718 1.873 14.303 77 HA ASN 10 HA ASN 10 0.209 3.050 16.070 78 HB2 ASN 10 HB2 ASN 10 0.455 1.266 13.594 79 HB3 ASN 10 HB3 ASN 10 1.848 1.848 14.485 80 HD21 ASN 10 HD21 ASN 10 2.460 0.900 16.327 81 HD22 ASN 10 HD22 ASN 10 1.666 -0.440 17.085 82 H GLY 11 HN GLY 11 -1.658 4.202 13.600 83 HA2 GLY 11 HA1 GLY 11 -1.042 6.500 12.936 84 HA3 GLY 11 HA2 GLY 11 0.511 5.853 12.446 85 H ASP 12 HN ASP 12 -2.639 6.640 11.409 86 HA ASP 12 HA ASP 12 -3.395 4.778 9.664 87 HB2 ASP 12 HB2 ASP 12 -3.577 7.726 9.829 88 HB3 ASP 12 HB3 ASP 12 -3.712 7.139 8.183 89 HD2 ASP 12 HD2 ASP 12 -6.000 8.152 8.804 90 H VAL 13 HN VAL 13 -2.987 4.417 7.317 91 HA VAL 13 HA VAL 13 -0.345 5.398 6.481 92 HB VAL 13 HB VAL 13 -1.638 2.731 5.879 93 HG11 VAL 13 HG11 VAL 13 1.266 3.321 5.431 94 HG12 VAL 13 HG12 VAL 13 0.187 2.182 4.591 95 HG13 VAL 13 HG13 VAL 13 0.078 3.926 4.252 96 HG21 VAL 13 HG21 VAL 13 -0.884 2.037 7.860 97 HG22 VAL 13 HG22 VAL 13 0.774 2.386 7.312 98 HG23 VAL 13 HG23 VAL 13 -0.155 3.628 8.186 99 H LYS 14 HN LYS 14 -1.402 7.253 5.495 100 HA LYS 14 HA LYS 14 -3.508 6.999 3.686 101 HB2 LYS 14 HB2 LYS 14 -3.070 9.129 4.605 102 HB3 LYS 14 HB3 LYS 14 -1.380 9.089 4.147 103 HG2 LYS 14 HG2 LYS 14 -2.732 8.741 1.703 104 HG3 LYS 14 HG3 LYS 14 -3.727 9.901 2.559 105 HD2 LYS 14 HD2 LYS 14 -1.190 10.878 3.089 106 HD3 LYS 14 HD3 LYS 14 -0.965 10.202 1.488 107 HE2 LYS 14 HE2 LYS 14 -2.744 11.565 0.557 108 HE3 LYS 14 HE3 LYS 14 -3.303 12.045 2.148 109 HZ1 LYS 14 HZ1 LYS 14 -1.790 13.660 0.866 110 HZ2 LYS 14 HZ2 LYS 14 -1.443 13.425 2.440 111 H LEU 15 HN LEU 15 -3.485 5.643 1.965 112 HA LEU 15 HA LEU 15 -0.984 5.461 0.455 113 HB2 LEU 15 HB2 LEU 15 -1.572 3.326 1.061 114 HB3 LEU 15 HB3 LEU 15 -3.293 3.633 0.933 115 HG LEU 15 HG LEU 15 -2.547 3.929 -1.672 116 HD11 LEU 15 HD11 LEU 15 -0.199 3.121 -0.753 117 HD12 LEU 15 HD12 LEU 15 -0.951 1.517 -0.928 118 HD13 LEU 15 HD13 LEU 15 -0.818 2.596 -2.338 119 HD21 LEU 15 HD21 LEU 15 -3.958 2.023 -0.061 120 HD22 LEU 15 HD22 LEU 15 -4.199 2.454 -1.771 121 HD23 LEU 15 HD23 LEU 15 -3.053 1.164 -1.331 122 HA PRO 16 HA PRO 16 -2.935 8.151 -2.473 123 HB2 PRO 16 HB2 PRO 16 -0.747 8.298 -4.146 124 HB3 PRO 16 HB3 PRO 16 -0.846 9.159 -2.576 125 HG2 PRO 16 HG2 PRO 16 0.861 6.541 -3.066 126 HG3 PRO 16 HG3 PRO 16 0.806 8.188 -2.357 127 HD2 PRO 16 HD2 PRO 16 0.018 5.651 -1.150 128 HD3 PRO 16 HD3 PRO 16 -0.112 7.287 -0.436 129 H HIS 17 HN HIS 17 -4.231 5.873 -2.760 130 HA HIS 17 HA HIS 17 -3.577 3.963 -4.490 131 HB2 HIS 17 HB2 HIS 17 -5.735 4.255 -3.247 132 HB3 HIS 17 HB3 HIS 17 -6.259 5.372 -4.491 133 HD1 HIS 17 HD1 HIS 17 -7.387 4.376 -6.512 134 HD2 HIS 17 HD2 HIS 17 -5.242 1.527 -4.304 135 HE1 HIS 17 HE1 HIS 17 -7.927 2.110 -7.553 136 H LYS 18 HN LYS 18 -5.109 7.103 -5.509 137 HA LYS 18 HA LYS 18 -5.078 6.748 -8.187 138 HB2 LYS 18 HB2 LYS 18 -6.074 8.677 -7.122 139 HB3 LYS 18 HB3 LYS 18 -4.510 9.259 -6.590 140 HG2 LYS 18 HG2 LYS 18 -3.938 9.115 -9.211 141 HG3 LYS 18 HG3 LYS 18 -5.679 9.231 -9.373 142 HD2 LYS 18 HD2 LYS 18 -4.845 11.490 -9.440 143 HD3 LYS 18 HD3 LYS 18 -5.606 11.295 -7.874 144 HE2 LYS 18 HE2 LYS 18 -3.504 11.111 -6.738 145 HE3 LYS 18 HE3 LYS 18 -2.631 10.771 -8.220 146 HZ1 LYS 18 HZ1 LYS 18 -4.023 13.355 -7.896 147 HZ2 LYS 18 HZ2 LYS 18 -2.533 13.149 -7.273 148 H ALA 19 HN ALA 19 -2.383 8.382 -6.367 149 HA ALA 19 HA ALA 19 -0.609 8.516 -8.437 150 HB1 ALA 19 HB1 ALA 19 -0.589 9.281 -5.875 151 HB2 ALA 19 HB2 ALA 19 0.405 7.814 -5.702 152 HB3 ALA 19 HB3 ALA 19 0.916 9.110 -6.810 153 H HIS 20 HN HIS 20 -1.237 5.774 -6.168 154 HA HIS 20 HA HIS 20 0.811 4.163 -7.210 155 HB2 HIS 20 HB2 HIS 20 -1.580 3.752 -5.455 156 HB3 HIS 20 HB3 HIS 20 -0.784 2.341 -6.123 157 HD1 HIS 20 HD1 HIS 20 -0.234 5.204 -3.724 158 HD2 HIS 20 HD2 HIS 20 1.756 1.756 -5.048 159 HE1 HIS 20 HE1 HIS 20 1.728 4.854 -2.130 160 H GLN 21 HN GLN 21 -2.398 5.027 -8.322 161 HA GLN 21 HA GLN 21 -2.679 2.710 -9.948 162 HB2 GLN 21 HB2 GLN 21 -4.210 5.319 -9.684 163 HB3 GLN 21 HB3 GLN 21 -4.603 4.163 -10.941 164 HG2 GLN 21 HG2 GLN 21 -5.068 2.416 -9.290 165 HG3 GLN 21 HG3 GLN 21 -4.460 3.415 -7.985 166 HE21 GLN 21 HE21 GLN 21 -7.121 2.558 -9.905 167 HE22 GLN 21 HE22 GLN 21 -8.289 3.689 -9.308 168 H LYS 22 HN LYS 22 -1.093 5.817 -10.165 169 HA LYS 22 HA LYS 22 -0.922 5.575 -13.076 170 HB2 LYS 22 HB2 LYS 22 -1.715 7.725 -12.127 171 HB3 LYS 22 HB3 LYS 22 -0.199 7.899 -11.268 172 HG2 LYS 22 HG2 LYS 22 0.489 7.316 -13.983 173 HG3 LYS 22 HG3 LYS 22 -0.797 8.504 -14.051 174 HD2 LYS 22 HD2 LYS 22 0.607 9.737 -12.164 175 HD3 LYS 22 HD3 LYS 22 1.927 8.740 -12.743 176 HE2 LYS 22 HE2 LYS 22 0.412 10.017 -14.943 177 HE3 LYS 22 HE3 LYS 22 1.120 11.184 -13.843 178 HZ1 LYS 22 HZ1 LYS 22 2.734 10.629 -15.519 179 HZ2 LYS 22 HZ2 LYS 22 3.269 9.969 -14.129 180 H ALA 23 HN ALA 23 0.891 5.377 -10.033 181 HA ALA 23 HA ALA 23 3.451 5.450 -11.275 182 HB1 ALA 23 HB1 ALA 23 2.338 4.787 -8.549 183 HB2 ALA 23 HB2 ALA 23 4.035 4.410 -8.934 184 HB3 ALA 23 HB3 ALA 23 3.453 6.090 -9.026 185 H VAL 24 HN VAL 24 1.059 2.937 -10.375 186 HA VAL 24 HA VAL 24 2.884 0.940 -11.520 187 HB VAL 24 HB VAL 24 0.757 0.831 -9.401 188 HG11 VAL 24 HG11 VAL 24 0.840 -1.615 -9.448 189 HG12 VAL 24 HG12 VAL 24 0.240 -0.973 -10.996 190 HG13 VAL 24 HG13 VAL 24 1.914 -1.564 -10.867 191 HG21 VAL 24 HG21 VAL 24 3.458 -0.502 -9.344 192 HG22 VAL 24 HG22 VAL 24 3.300 1.240 -9.011 193 HG23 VAL 24 HG23 VAL 24 2.443 0.058 -7.993 194 HA PRO 25 HA PRO 25 -0.191 1.286 -14.784 195 HB2 PRO 25 HB2 PRO 25 1.473 0.509 -16.796 196 HB3 PRO 25 HB3 PRO 25 1.594 2.133 -16.043 197 HG2 PRO 25 HG2 PRO 25 3.096 -0.235 -15.552 198 HG3 PRO 25 HG3 PRO 25 3.844 1.388 -15.706 199 HD2 PRO 25 HD2 PRO 25 3.425 0.198 -13.272 200 HD3 PRO 25 HD3 PRO 25 3.218 1.962 -13.489 201 H ASP 26 HN ASP 26 -0.357 -0.877 -12.918 202 HA ASP 26 HA ASP 26 -1.167 -2.897 -14.707 203 HB2 ASP 26 HB2 ASP 26 0.900 -3.813 -12.688 204 HB3 ASP 26 HB3 ASP 26 0.310 -4.665 -14.101 205 HD2 ASP 26 HD2 ASP 26 2.762 -3.368 -16.146 206 H CYS 27 HN CYS 27 -3.153 -2.330 -13.491 207 HA CYS 27 HA CYS 27 -3.218 -2.499 -10.678 208 HB2 CYS 27 HB2 CYS 27 -5.684 -2.853 -12.327 209 HB3 CYS 27 HB3 CYS 27 -5.453 -1.974 -10.828 210 H LYS 28 HN LYS 28 -1.900 -4.708 -10.951 211 HA LYS 28 HA LYS 28 -3.875 -6.813 -10.596 212 HB2 LYS 28 HB2 LYS 28 -2.123 -8.264 -11.982 213 HB3 LYS 28 HB3 LYS 28 -3.487 -7.462 -12.735 214 HG2 LYS 28 HG2 LYS 28 -2.016 -5.486 -13.251 215 HG3 LYS 28 HG3 LYS 28 -0.655 -6.329 -12.539 216 HD2 LYS 28 HD2 LYS 28 -0.426 -7.776 -14.328 217 HD3 LYS 28 HD3 LYS 28 -2.153 -7.872 -14.613 218 HE2 LYS 28 HE2 LYS 28 -1.995 -6.335 -16.272 219 HE3 LYS 28 HE3 LYS 28 -1.335 -5.159 -15.153 220 HZ1 LYS 28 HZ1 LYS 28 0.862 -6.433 -15.515 221 HZ2 LYS 28 HZ2 LYS 28 0.154 -7.075 -16.834 222 H LYS 29 HN LYS 29 -0.369 -5.887 -10.582 223 HA LYS 29 HA LYS 29 0.495 -7.827 -8.834 224 HB2 LYS 29 HB2 LYS 29 2.080 -6.525 -10.024 225 HB3 LYS 29 HB3 LYS 29 1.445 -5.016 -9.401 226 HG2 LYS 29 HG2 LYS 29 3.401 -5.405 -8.100 227 HG3 LYS 29 HG3 LYS 29 2.084 -5.879 -7.045 228 HD2 LYS 29 HD2 LYS 29 2.691 -8.092 -7.060 229 HD3 LYS 29 HD3 LYS 29 3.054 -8.086 -8.775 230 HE2 LYS 29 HE2 LYS 29 5.056 -6.443 -7.649 231 HE3 LYS 29 HE3 LYS 29 4.872 -7.743 -6.488 232 HZ1 LYS 29 HZ1 LYS 29 5.881 -7.872 -9.198 233 HZ2 LYS 29 HZ2 LYS 29 6.220 -8.837 -7.930 234 H CYS 30 HN CYS 30 -1.639 -5.127 -8.290 235 HA CYS 30 HA CYS 30 -1.234 -5.399 -5.408 236 HB2 CYS 30 HB2 CYS 30 -1.841 -3.128 -7.146 237 HB3 CYS 30 HB3 CYS 30 -2.985 -3.264 -5.825 238 H HIS 31 HN HIS 31 -3.470 -5.737 -8.164 239 HA HIS 31 HA HIS 31 -5.503 -6.715 -6.294 240 HB2 HIS 31 HB2 HIS 31 -5.761 -5.431 -9.022 241 HB3 HIS 31 HB3 HIS 31 -7.081 -6.284 -8.245 242 HD1 HIS 31 HD1 HIS 31 -7.698 -5.286 -5.713 243 HD2 HIS 31 HD2 HIS 31 -5.625 -2.779 -8.362 244 HE1 HIS 31 HE1 HIS 31 -8.011 -2.908 -4.840 245 H GLU 32 HN GLU 32 -5.445 -8.901 -6.154 246 HA GLU 32 HA GLU 32 -4.295 -10.407 -8.264 247 HB2 GLU 32 HB2 GLU 32 -5.619 -11.156 -5.630 248 HB3 GLU 32 HB3 GLU 32 -5.031 -12.367 -6.752 249 HG2 GLU 32 HG2 GLU 32 -2.978 -12.130 -5.817 250 HG3 GLU 32 HG3 GLU 32 -2.892 -10.539 -6.548 251 HE2 GLU 32 HE2 GLU 32 -2.259 -9.220 -5.033 252 H LYS 33 HN LYS 33 -7.173 -11.721 -6.680 253 HA LYS 33 HA LYS 33 -8.346 -12.772 -8.836 254 HB2 LYS 33 HB2 LYS 33 -9.470 -11.650 -6.286 255 HB3 LYS 33 HB3 LYS 33 -10.561 -12.261 -7.512 256 HG2 LYS 33 HG2 LYS 33 -8.458 -14.188 -7.287 257 HG3 LYS 33 HG3 LYS 33 -8.899 -13.752 -5.648 258 HD2 LYS 33 HD2 LYS 33 -11.137 -14.478 -5.907 259 HD3 LYS 33 HD3 LYS 33 -11.093 -14.329 -7.652 260 HE2 LYS 33 HE2 LYS 33 -9.427 -16.378 -6.120 261 HE3 LYS 33 HE3 LYS 33 -11.026 -16.726 -6.748 262 HZ1 LYS 33 HZ1 LYS 33 -10.254 -16.377 -8.965 263 HZ2 LYS 33 HZ2 LYS 33 -8.843 -15.720 -8.486 264 H GLY 34 HN GLY 34 -8.226 -9.338 -7.969 265 HA2 GLY 34 HA1 GLY 34 -8.554 -8.254 -10.391 266 HA3 GLY 34 HA2 GLY 34 -10.215 -8.604 -9.954 267 HA PRO 35 HA PRO 35 -8.805 -4.428 -8.263 268 HB2 PRO 35 HB2 PRO 35 -10.783 -2.969 -9.468 269 HB3 PRO 35 HB3 PRO 35 -9.270 -3.424 -10.319 270 HG2 PRO 35 HG2 PRO 35 -11.678 -4.761 -10.125 271 HG3 PRO 35 HG3 PRO 35 -11.252 -4.594 -11.860 272 HD2 PRO 35 HD2 PRO 35 -10.575 -6.868 -11.016 273 HD3 PRO 35 HD3 PRO 35 -9.109 -5.887 -11.314 274 H GLY 36 HN GLY 36 -9.526 -4.090 -6.162 275 HA2 GLY 36 HA1 GLY 36 -11.790 -3.400 -5.138 276 HA3 GLY 36 HA2 GLY 36 -12.232 -5.052 -5.519 277 H LYS 37 HN LYS 37 -12.490 -5.662 -3.304 278 HA LYS 37 HA LYS 37 -10.529 -5.180 -1.361 279 HB2 LYS 37 HB2 LYS 37 -11.867 -6.442 0.055 280 HB3 LYS 37 HB3 LYS 37 -13.017 -5.814 -1.108 281 HG2 LYS 37 HG2 LYS 37 -13.031 -7.925 -2.345 282 HG3 LYS 37 HG3 LYS 37 -11.701 -8.552 -1.393 283 HD2 LYS 37 HD2 LYS 37 -13.110 -9.279 0.231 284 HD3 LYS 37 HD3 LYS 37 -13.835 -7.691 0.389 285 HE2 LYS 37 HE2 LYS 37 -15.196 -8.239 -1.737 286 HE3 LYS 37 HE3 LYS 37 -14.619 -9.886 -1.579 287 HZ1 LYS 37 HZ1 LYS 37 -16.078 -8.452 0.575 288 HZ2 LYS 37 HZ2 LYS 37 -16.782 -9.496 -0.458 289 H ILE 38 HN ILE 38 -8.915 -6.559 -0.456 290 HA ILE 38 HA ILE 38 -8.066 -8.656 -2.330 291 HB ILE 38 HB ILE 38 -6.349 -6.983 -0.495 292 HG12 ILE 38 HG12 ILE 38 -6.590 -6.724 -3.501 293 HG13 ILE 38 HG13 ILE 38 -7.499 -5.726 -2.384 294 HG21 ILE 38 HG21 ILE 38 -5.829 -9.455 -1.641 295 HG22 ILE 38 HG22 ILE 38 -5.066 -8.298 -2.758 296 HG23 ILE 38 HG23 ILE 38 -4.628 -8.290 -1.033 297 HD11 ILE 38 HD11 ILE 38 -5.262 -4.762 -3.217 298 HD12 ILE 38 HD12 ILE 38 -5.511 -4.751 -1.455 299 HD13 ILE 38 HD13 ILE 38 -4.471 -5.990 -2.199 300 H GLU 39 HN GLU 39 -7.905 -10.718 -1.576 301 HA GLU 39 HA GLU 39 -8.572 -11.056 1.218 302 HB2 GLU 39 HB2 GLU 39 -9.536 -12.302 -1.018 303 HB3 GLU 39 HB3 GLU 39 -8.281 -13.436 -0.563 304 HG2 GLU 39 HG2 GLU 39 -9.751 -12.599 1.812 305 HG3 GLU 39 HG3 GLU 39 -10.876 -13.161 0.592 306 HE2 GLU 39 HE2 GLU 39 -8.190 -14.328 2.585 307 H GLY 40 HN GLY 40 -6.927 -11.293 2.663 308 HA2 GLY 40 HA1 GLY 40 -5.160 -12.931 3.253 309 HA3 GLY 40 HA2 GLY 40 -4.443 -12.578 1.694 310 H PHE 41 HN PHE 41 -4.952 -9.718 1.613 311 HA PHE 41 HA PHE 41 -2.734 -8.870 3.158 312 HB2 PHE 41 HB2 PHE 41 -3.460 -8.005 0.880 313 HB3 PHE 41 HB3 PHE 41 -4.933 -7.384 1.598 314 HD1 PHE 41 HD1 PHE 41 -4.575 -5.691 3.587 315 HD2 PHE 41 HD2 PHE 41 -1.652 -6.582 0.642 316 HE1 PHE 41 HE1 PHE 41 -3.421 -3.515 4.073 317 HE2 PHE 41 HE2 PHE 41 -0.498 -4.407 1.129 318 HZ PHE 41 HZ PHE 41 -1.397 -2.899 2.838 319 H GLY 42 HN GLY 42 -2.665 -7.357 4.901 320 HA2 GLY 42 HA1 GLY 42 -4.965 -6.180 6.035 321 HA3 GLY 42 HA2 GLY 42 -4.611 -7.676 6.875 322 H LYS 43 HN LYS 43 -1.688 -7.605 6.473 323 HA LYS 43 HA LYS 43 -0.760 -5.129 7.554 324 HB2 LYS 43 HB2 LYS 43 -1.876 -6.428 9.502 325 HB3 LYS 43 HB3 LYS 43 -0.491 -7.496 9.404 326 HG2 LYS 43 HG2 LYS 43 0.811 -5.100 9.370 327 HG3 LYS 43 HG3 LYS 43 -0.621 -4.623 10.260 328 HD2 LYS 43 HD2 LYS 43 0.876 -7.145 11.039 329 HD3 LYS 43 HD3 LYS 43 1.462 -5.582 11.569 330 HE2 LYS 43 HE2 LYS 43 -0.038 -5.643 13.269 331 HE3 LYS 43 HE3 LYS 43 -1.330 -5.530 12.090 332 HZ1 LYS 43 HZ1 LYS 43 -0.698 -7.734 13.679 333 HZ2 LYS 43 HZ2 LYS 43 -1.869 -7.647 12.551 334 H GLU 44 HN GLU 44 0.397 -8.508 8.098 335 HA GLU 44 HA GLU 44 2.937 -8.168 7.502 336 HB2 GLU 44 HB2 GLU 44 1.044 -10.454 7.084 337 HB3 GLU 44 HB3 GLU 44 2.622 -10.601 6.336 338 HG2 GLU 44 HG2 GLU 44 2.193 -11.378 8.872 339 HG3 GLU 44 HG3 GLU 44 3.736 -10.722 8.364 340 HE2 GLU 44 HE2 GLU 44 4.221 -8.670 9.022 341 H MET 45 HN MET 45 0.398 -8.921 5.010 342 HA MET 45 HA MET 45 1.915 -9.025 2.815 343 HB2 MET 45 HB2 MET 45 -0.823 -7.782 3.344 344 HB3 MET 45 HB3 MET 45 -0.177 -7.820 1.715 345 HG2 MET 45 HG2 MET 45 0.261 -10.430 2.465 346 HG3 MET 45 HG3 MET 45 -1.166 -10.073 3.418 347 HE1 MET 45 HE1 MET 45 0.120 -11.533 0.749 348 HE2 MET 45 HE2 MET 45 -1.494 -12.274 0.619 349 HE3 MET 45 HE3 MET 45 -0.852 -11.296 -0.723 350 H ALA 46 HN ALA 46 0.725 -6.019 4.441 351 HA ALA 46 HA ALA 46 1.777 -4.258 2.519 352 HB1 ALA 46 HB1 ALA 46 0.035 -4.011 4.535 353 HB2 ALA 46 HB2 ALA 46 1.492 -3.459 5.396 354 HB3 ALA 46 HB3 ALA 46 0.958 -2.619 3.920 355 H HIS 47 HN HIS 47 2.974 -5.205 5.823 356 HA HIS 47 HA HIS 47 5.365 -3.834 5.627 357 HB2 HIS 47 HB2 HIS 47 4.698 -6.346 7.186 358 HB3 HIS 47 HB3 HIS 47 6.118 -5.353 7.446 359 HD1 HIS 47 HD1 HIS 47 3.333 -5.936 9.258 360 HD2 HIS 47 HD2 HIS 47 4.721 -2.377 7.526 361 HE1 HIS 47 HE1 HIS 47 2.244 -4.034 10.564 362 H GLY 48 HN GLY 48 4.249 -6.627 3.924 363 HA2 GLY 48 HA1 GLY 48 7.004 -7.124 2.977 364 HA3 GLY 48 HA2 GLY 48 5.915 -8.438 3.372 365 H LYS 49 HN LYS 49 5.531 -9.360 1.363 366 HA LYS 49 HA LYS 49 5.294 -7.926 -1.004 367 HB2 LYS 49 HB2 LYS 49 5.316 -10.610 -0.198 368 HB3 LYS 49 HB3 LYS 49 3.768 -10.404 -0.993 369 HG2 LYS 49 HG2 LYS 49 4.994 -10.756 -2.903 370 HG3 LYS 49 HG3 LYS 49 5.344 -9.045 -2.757 371 HD2 LYS 49 HD2 LYS 49 7.427 -9.576 -1.479 372 HD3 LYS 49 HD3 LYS 49 7.076 -11.288 -1.613 373 HE2 LYS 49 HE2 LYS 49 8.289 -11.242 -3.541 374 HE3 LYS 49 HE3 LYS 49 6.905 -10.450 -4.267 375 HZ1 LYS 49 HZ1 LYS 49 9.340 -9.180 -3.184 376 HZ2 LYS 49 HZ2 LYS 49 8.674 -8.985 -4.657 377 H GLY 50 HN GLY 50 3.968 -6.072 -0.575 378 HA2 GLY 50 HA1 GLY 50 1.283 -6.370 -1.303 379 HA3 GLY 50 HA2 GLY 50 1.350 -6.237 0.443 380 H CYS 51 HN CYS 51 3.604 -4.508 0.766 381 HA CYS 51 HA CYS 51 2.911 -2.159 -0.801 382 HB2 CYS 51 HB2 CYS 51 3.029 -2.085 2.219 383 HB3 CYS 51 HB3 CYS 51 2.709 -0.741 1.140 384 H LYS 52 HN LYS 52 4.908 -3.455 1.958 385 HA LYS 52 HA LYS 52 7.106 -1.776 1.349 386 HB2 LYS 52 HB2 LYS 52 6.314 -3.604 3.416 387 HB3 LYS 52 HB3 LYS 52 7.931 -4.026 2.887 388 HG2 LYS 52 HG2 LYS 52 8.108 -1.266 2.977 389 HG3 LYS 52 HG3 LYS 52 6.973 -1.571 4.277 390 HD2 LYS 52 HD2 LYS 52 9.140 -1.662 5.296 391 HD3 LYS 52 HD3 LYS 52 8.622 -3.330 5.164 392 HE2 LYS 52 HE2 LYS 52 9.878 -3.215 2.806 393 HE3 LYS 52 HE3 LYS 52 10.713 -1.862 3.544 394 HZ1 LYS 52 HZ1 LYS 52 10.994 -3.577 5.502 395 HZ2 LYS 52 HZ2 LYS 52 10.787 -4.687 4.328 396 H GLY 53 HN GLY 53 6.417 -5.302 0.839 397 HA2 GLY 53 HA1 GLY 53 8.653 -6.229 -0.278 398 HA3 GLY 53 HA2 GLY 53 7.061 -6.617 -0.900 399 H CYS 54 HN CYS 54 6.200 -4.192 -2.021 400 HA CYS 54 HA CYS 54 7.732 -4.197 -4.407 401 HB2 CYS 54 HB2 CYS 54 5.247 -3.951 -4.339 402 HB3 CYS 54 HB3 CYS 54 5.442 -2.368 -3.614 403 H HIS 55 HN HIS 55 7.229 -2.019 -1.579 404 HA HIS 55 HA HIS 55 8.608 0.172 -2.591 405 HB2 HIS 55 HB2 HIS 55 8.139 -0.772 0.248 406 HB3 HIS 55 HB3 HIS 55 8.855 0.776 -0.152 407 HD1 HIS 55 HD1 HIS 55 6.182 0.643 1.395 408 HD2 HIS 55 HD2 HIS 55 6.465 0.992 -2.776 409 HE1 HIS 55 HE1 HIS 55 3.981 1.669 0.612 410 H GLU 56 HN GLU 56 9.704 -2.714 -0.718 411 HA GLU 56 HA GLU 56 12.382 -1.749 -0.697 412 HB2 GLU 56 HB2 GLU 56 12.775 -4.182 0.192 413 HB3 GLU 56 HB3 GLU 56 11.893 -3.045 1.194 414 HG2 GLU 56 HG2 GLU 56 9.904 -4.181 0.975 415 HG3 GLU 56 HG3 GLU 56 10.181 -4.554 -0.715 416 HE2 GLU 56 HE2 GLU 56 10.546 -6.380 2.411 417 H GLU 57 HN GLU 57 10.336 -3.691 -2.792 418 HA GLU 57 HA GLU 57 12.525 -4.994 -4.061 419 HB2 GLU 57 HB2 GLU 57 10.429 -6.174 -4.013 420 HB3 GLU 57 HB3 GLU 57 9.550 -4.800 -4.655 421 HG2 GLU 57 HG2 GLU 57 9.847 -6.367 -6.476 422 HG3 GLU 57 HG3 GLU 57 10.899 -5.002 -6.795 423 HE2 GLU 57 HE2 GLU 57 13.770 -6.922 -6.603 424 H MET 58 HN MET 58 10.568 -2.052 -4.513 425 HA MET 58 HA MET 58 11.896 -1.601 -7.054 426 HB2 MET 58 HB2 MET 58 9.584 -0.163 -5.636 427 HB3 MET 58 HB3 MET 58 10.201 0.304 -7.208 428 HG2 MET 58 HG2 MET 58 9.757 -2.262 -7.811 429 HG3 MET 58 HG3 MET 58 8.668 -2.191 -6.440 430 HE1 MET 58 HE1 MET 58 7.749 -2.323 -10.013 431 HE2 MET 58 HE2 MET 58 8.181 -0.693 -10.583 432 HE3 MET 58 HE3 MET 58 9.414 -1.726 -9.821 433 H LYS 59 HN LYS 59 11.460 -0.249 -3.753 434 HA LYS 59 HA LYS 59 12.756 1.111 -2.576 435 HB2 LYS 59 HB2 LYS 59 14.555 0.255 -4.683 436 HB3 LYS 59 HB3 LYS 59 14.889 1.914 -4.230 437 HG2 LYS 59 HG2 LYS 59 14.698 -0.458 -2.314 438 HG3 LYS 59 HG3 LYS 59 16.176 0.343 -2.811 439 HD2 LYS 59 HD2 LYS 59 14.191 2.250 -1.750 440 HD3 LYS 59 HD3 LYS 59 14.593 1.006 -0.583 441 HE2 LYS 59 HE2 LYS 59 17.106 1.577 -1.443 442 HE3 LYS 59 HE3 LYS 59 16.355 3.122 -1.791 443 HZ1 LYS 59 HZ1 LYS 59 15.941 1.873 0.850 444 HZ2 LYS 59 HZ2 LYS 59 17.308 2.710 0.562 445 H LYS 60 HN LYS 60 10.486 2.077 -3.754 446 HA LYS 60 HA LYS 60 11.342 4.780 -4.506 447 HB2 LYS 60 HB2 LYS 60 10.145 2.997 -6.255 448 HB3 LYS 60 HB3 LYS 60 8.784 3.930 -5.667 449 HG2 LYS 60 HG2 LYS 60 9.483 5.304 -7.414 450 HG3 LYS 60 HG3 LYS 60 10.394 6.010 -6.094 451 HD2 LYS 60 HD2 LYS 60 12.203 4.147 -6.813 452 HD3 LYS 60 HD3 LYS 60 11.364 4.257 -8.347 453 HE2 LYS 60 HE2 LYS 60 12.099 6.414 -8.761 454 HE3 LYS 60 HE3 LYS 60 12.033 6.879 -7.073 455 HZ1 LYS 60 HZ1 LYS 60 14.321 6.735 -7.674 456 HZ2 LYS 60 HZ2 LYS 60 14.049 5.416 -6.758 457 H GLY 61 HN GLY 61 8.804 2.622 -3.122 458 HA2 GLY 61 HA1 GLY 61 7.378 4.832 -1.942 459 HA3 GLY 61 HA2 GLY 61 7.060 3.120 -1.748 460 HA PRO 62 HA PRO 62 9.012 4.788 2.150 461 HB2 PRO 62 HB2 PRO 62 6.945 4.297 3.842 462 HB3 PRO 62 HB3 PRO 62 6.949 5.729 2.763 463 HG2 PRO 62 HG2 PRO 62 5.231 3.052 2.023 464 HG3 PRO 62 HG3 PRO 62 5.138 4.821 2.309 465 HD2 PRO 62 HD2 PRO 62 5.859 3.476 -0.130 466 HD3 PRO 62 HD3 PRO 62 6.058 5.220 0.221 467 H THR 63 HN THR 63 10.176 3.402 3.553 468 HA THR 63 HA THR 63 9.225 0.645 3.757 469 HB THR 63 HB THR 63 11.811 0.106 3.346 470 HG1 THR 63 HG1 THR 63 12.795 1.800 2.215 471 HG21 THR 63 HG21 THR 63 10.731 0.926 0.727 472 HG22 THR 63 HG22 THR 63 11.125 -0.707 1.316 473 HG23 THR 63 HG23 THR 63 9.537 0.011 1.678 474 H LYS 64 HN LYS 64 9.216 3.012 5.552 475 HA LYS 64 HA LYS 64 10.749 1.740 7.690 476 HB2 LYS 64 HB2 LYS 64 11.520 4.154 6.463 477 HB3 LYS 64 HB3 LYS 64 10.766 4.627 7.972 478 HG2 LYS 64 HG2 LYS 64 12.207 2.876 9.149 479 HG3 LYS 64 HG3 LYS 64 13.042 2.621 7.630 480 HD2 LYS 64 HD2 LYS 64 14.438 4.229 8.561 481 HD3 LYS 64 HD3 LYS 64 13.331 5.279 7.698 482 HE2 LYS 64 HE2 LYS 64 12.456 6.145 9.628 483 HE3 LYS 64 HE3 LYS 64 12.342 4.573 10.394 484 HZ1 LYS 64 HZ1 LYS 64 14.365 6.529 10.726 485 HZ2 LYS 64 HZ2 LYS 64 14.145 5.157 11.575 486 H CYS 65 HN CYS 65 9.868 2.161 9.840 487 HA CYS 65 HA CYS 65 7.114 1.998 9.887 488 HB2 CYS 65 HB2 CYS 65 8.677 2.994 12.248 489 HB3 CYS 65 HB3 CYS 65 7.270 1.950 12.211 490 H GLY 66 HN GLY 66 9.394 4.763 10.267 491 HA2 GLY 66 HA1 GLY 66 7.212 6.627 10.763 492 HA3 GLY 66 HA2 GLY 66 8.931 6.966 10.752 493 H GLU 67 HN GLU 67 7.791 5.024 8.079 494 HA GLU 67 HA GLU 67 7.826 7.427 6.424 495 HB2 GLU 67 HB2 GLU 67 9.415 5.010 6.273 496 HB3 GLU 67 HB3 GLU 67 8.431 5.129 4.828 497 HG2 GLU 67 HG2 GLU 67 9.225 7.530 4.559 498 HG3 GLU 67 HG3 GLU 67 10.306 7.280 5.916 499 HE2 GLU 67 HE2 GLU 67 12.618 6.560 4.607 500 H CYS 68 HN CYS 68 5.811 5.206 7.787 501 HA CYS 68 HA CYS 68 3.998 5.357 5.502 502 HB2 CYS 68 HB2 CYS 68 5.075 2.931 6.695 503 HB3 CYS 68 HB3 CYS 68 3.328 2.976 6.832 504 H HIS 69 HN HIS 69 4.201 4.260 8.976 505 HA HIS 69 HA HIS 69 1.581 5.176 9.519 506 HB2 HIS 69 HB2 HIS 69 3.832 4.321 11.360 507 HB3 HIS 69 HB3 HIS 69 2.186 4.632 11.876 508 HD1 HIS 69 HD1 HIS 69 0.298 3.023 10.656 509 HD2 HIS 69 HD2 HIS 69 4.291 1.742 10.542 510 HE1 HIS 69 HE1 HIS 69 0.234 0.531 10.111 511 H LYS 70 HN LYS 70 1.040 7.300 9.540 512 HA LYS 70 HA LYS 70 2.582 9.060 11.223 513 HB2 LYS 70 HB2 LYS 70 3.825 9.290 9.159 514 HB3 LYS 70 HB3 LYS 70 2.356 9.542 8.239 515 HG2 LYS 70 HG2 LYS 70 3.224 11.735 8.607 516 HG3 LYS 70 HG3 LYS 70 1.903 11.583 9.748 517 HD2 LYS 70 HD2 LYS 70 3.534 12.388 11.189 518 HD3 LYS 70 HD3 LYS 70 3.833 10.670 11.368 519 HE2 LYS 70 HE2 LYS 70 5.975 11.079 10.726 520 HE3 LYS 70 HE3 LYS 70 5.357 11.349 9.108 521 HZ1 LYS 70 HZ1 LYS 70 5.131 13.616 10.919 522 HZ2 LYS 70 HZ2 LYS 70 6.652 13.223 10.492 523 H LYS 71 HN LYS 71 1.080 10.010 12.479 524 HA LYS 71 HA LYS 71 -1.628 9.823 12.036 525 HB2 LYS 71 HB2 LYS 71 -0.243 10.426 14.156 526 HB3 LYS 71 HB3 LYS 71 -0.401 12.082 13.607 527 HG2 LYS 71 HG2 LYS 71 -3.001 10.957 13.344 528 HG3 LYS 71 HG3 LYS 71 -2.397 10.368 14.881 529 HD2 LYS 71 HD2 LYS 71 -2.639 12.409 15.847 530 HD3 LYS 71 HD3 LYS 71 -1.716 13.187 14.577 531 HE2 LYS 71 HE2 LYS 71 -3.596 13.866 13.442 532 HE3 LYS 71 HE3 LYS 71 -4.436 12.354 13.722 533 HZ1 LYS 71 HZ1 LYS 71 -5.519 13.308 15.426 534 HZ2 LYS 71 HZ2 LYS 71 -4.139 13.736 16.176 Start of MODEL 10 1 H1 ALA 1 HN ALA 1 -10.322 11.037 -0.992 2 HA ALA 1 HA ALA 1 -11.730 11.013 -3.557 3 HB1 ALA 1 HB1 ALA 1 -10.158 13.006 -3.359 4 HB2 ALA 1 HB2 ALA 1 -8.821 11.836 -3.248 5 HB3 ALA 1 HB3 ALA 1 -9.827 11.902 -4.715 6 H ASP 2 HN ASP 2 -9.372 9.935 -4.935 7 HA ASP 2 HA ASP 2 -9.780 7.324 -4.706 8 HB2 ASP 2 HB2 ASP 2 -7.844 9.015 -5.917 9 HB3 ASP 2 HB3 ASP 2 -6.910 7.809 -5.055 10 HD2 ASP 2 HD2 ASP 2 -7.580 6.837 -8.458 11 H ASP 3 HN ASP 3 -7.630 9.406 -2.708 12 HA ASP 3 HA ASP 3 -5.992 7.809 -1.467 13 HB2 ASP 3 HB2 ASP 3 -7.548 9.237 0.580 14 HB3 ASP 3 HB3 ASP 3 -5.883 9.475 0.089 15 HD2 ASP 3 HD2 ASP 3 -7.187 12.174 0.201 16 H ILE 4 HN ILE 4 -6.088 5.903 -0.243 17 HA ILE 4 HA ILE 4 -8.727 5.174 0.826 18 HB ILE 4 HB ILE 4 -6.767 3.672 -0.808 19 HG12 ILE 4 HG12 ILE 4 -9.779 3.612 -0.479 20 HG13 ILE 4 HG13 ILE 4 -8.879 4.391 -1.765 21 HG21 ILE 4 HG21 ILE 4 -7.999 1.554 0.257 22 HG22 ILE 4 HG22 ILE 4 -6.446 2.174 0.866 23 HG23 ILE 4 HG23 ILE 4 -7.961 2.599 1.697 24 HD11 ILE 4 HD11 ILE 4 -7.843 1.888 -1.993 25 HD12 ILE 4 HD12 ILE 4 -9.444 1.484 -1.328 26 HD13 ILE 4 HD13 ILE 4 -9.318 2.403 -2.848 27 H VAL 5 HN VAL 5 -8.268 6.185 2.854 28 HA VAL 5 HA VAL 5 -5.889 5.647 4.266 29 HB VAL 5 HB VAL 5 -8.595 6.516 5.299 30 HG11 VAL 5 HG11 VAL 5 -5.798 6.910 6.417 31 HG12 VAL 5 HG12 VAL 5 -7.294 7.595 7.093 32 HG13 VAL 5 HG13 VAL 5 -7.054 5.832 7.072 33 HG21 VAL 5 HG21 VAL 5 -6.456 8.509 4.731 34 HG22 VAL 5 HG22 VAL 5 -7.300 7.810 3.328 35 HG23 VAL 5 HG23 VAL 5 -8.225 8.650 4.596 36 H LEU 6 HN LEU 6 -5.266 3.868 5.382 37 HA LEU 6 HA LEU 6 -7.242 1.752 5.678 38 HB2 LEU 6 HB2 LEU 6 -4.232 1.804 5.907 39 HB3 LEU 6 HB3 LEU 6 -5.213 0.392 6.250 40 HG LEU 6 HG LEU 6 -5.334 1.786 3.575 41 HD11 LEU 6 HD11 LEU 6 -3.721 -0.638 3.600 42 HD12 LEU 6 HD12 LEU 6 -3.389 0.956 2.881 43 HD13 LEU 6 HD13 LEU 6 -3.013 0.656 4.595 44 HD21 LEU 6 HD21 LEU 6 -7.142 0.189 4.229 45 HD22 LEU 6 HD22 LEU 6 -6.237 -0.278 2.769 46 HD23 LEU 6 HD23 LEU 6 -5.909 -1.092 4.318 47 H LYS 7 HN LYS 7 -7.602 0.673 7.713 48 HA LYS 7 HA LYS 7 -7.555 2.530 9.895 49 HB2 LYS 7 HB2 LYS 7 -8.504 -0.348 9.847 50 HB3 LYS 7 HB3 LYS 7 -8.887 0.869 11.048 51 HG2 LYS 7 HG2 LYS 7 -9.610 2.125 8.654 52 HG3 LYS 7 HG3 LYS 7 -10.047 0.454 8.357 53 HD2 LYS 7 HD2 LYS 7 -11.971 0.953 9.482 54 HD3 LYS 7 HD3 LYS 7 -10.998 0.787 10.930 55 HE2 LYS 7 HE2 LYS 7 -10.399 3.306 10.607 56 HE3 LYS 7 HE3 LYS 7 -11.719 3.351 9.454 57 HZ1 LYS 7 HZ1 LYS 7 -13.268 2.985 11.117 58 HZ2 LYS 7 HZ2 LYS 7 -12.242 2.195 12.105 59 H ALA 8 HN ALA 8 -5.781 2.854 11.118 60 HA ALA 8 HA ALA 8 -4.397 0.547 12.151 61 HB1 ALA 8 HB1 ALA 8 -3.179 0.805 10.084 62 HB2 ALA 8 HB2 ALA 8 -3.055 2.565 10.313 63 HB3 ALA 8 HB3 ALA 8 -2.165 1.462 11.391 64 H LYS 9 HN LYS 9 -4.605 1.031 14.287 65 HA LYS 9 HA LYS 9 -4.813 3.691 15.205 66 HB2 LYS 9 HB2 LYS 9 -5.154 2.756 17.305 67 HB3 LYS 9 HB3 LYS 9 -5.751 1.516 16.221 68 HG2 LYS 9 HG2 LYS 9 -3.570 0.311 16.381 69 HG3 LYS 9 HG3 LYS 9 -2.951 1.559 17.445 70 HD2 LYS 9 HD2 LYS 9 -3.746 0.290 19.159 71 HD3 LYS 9 HD3 LYS 9 -5.336 0.867 18.702 72 HE2 LYS 9 HE2 LYS 9 -5.681 -1.085 17.235 73 HE3 LYS 9 HE3 LYS 9 -4.039 -1.631 17.514 74 HZ1 LYS 9 HZ1 LYS 9 -4.558 -2.073 19.794 75 HZ2 LYS 9 HZ2 LYS 9 -5.996 -1.314 19.722 76 H ASN 10 HN ASN 10 -2.162 1.865 14.094 77 HA ASN 10 HA ASN 10 -0.298 3.050 15.921 78 HB2 ASN 10 HB2 ASN 10 0.057 1.299 13.433 79 HB3 ASN 10 HB3 ASN 10 1.399 1.857 14.412 80 HD21 ASN 10 HD21 ASN 10 1.897 0.881 16.278 81 HD22 ASN 10 HD22 ASN 10 1.063 -0.477 16.957 82 H GLY 11 HN GLY 11 -2.097 4.211 13.408 83 HA2 GLY 11 HA1 GLY 11 -1.494 6.505 12.760 84 HA3 GLY 11 HA2 GLY 11 0.094 5.893 12.344 85 H ASP 12 HN ASP 12 -3.011 6.625 11.153 86 HA ASP 12 HA ASP 12 -3.657 4.757 9.375 87 HB2 ASP 12 HB2 ASP 12 -3.831 7.724 9.474 88 HB3 ASP 12 HB3 ASP 12 -3.961 7.067 7.854 89 HD2 ASP 12 HD2 ASP 12 -5.988 8.222 8.461 90 H VAL 13 HN VAL 13 -3.181 4.503 6.993 91 HA VAL 13 HA VAL 13 -0.507 5.498 6.290 92 HB VAL 13 HB VAL 13 -1.650 2.776 5.640 93 HG11 VAL 13 HG11 VAL 13 0.726 2.284 5.010 94 HG12 VAL 13 HG12 VAL 13 -0.069 3.490 3.970 95 HG13 VAL 13 HG13 VAL 13 1.088 4.015 5.216 96 HG21 VAL 13 HG21 VAL 13 0.686 2.792 7.381 97 HG22 VAL 13 HG22 VAL 13 -0.698 3.631 8.122 98 HG23 VAL 13 HG23 VAL 13 -0.871 1.949 7.566 99 H LYS 14 HN LYS 14 -1.517 7.277 5.175 100 HA LYS 14 HA LYS 14 -3.573 6.959 3.330 101 HB2 LYS 14 HB2 LYS 14 -3.118 9.126 4.148 102 HB3 LYS 14 HB3 LYS 14 -1.420 9.037 3.723 103 HG2 LYS 14 HG2 LYS 14 -2.709 8.588 1.271 104 HG3 LYS 14 HG3 LYS 14 -3.737 9.778 2.045 105 HD2 LYS 14 HD2 LYS 14 -2.052 10.996 0.805 106 HD3 LYS 14 HD3 LYS 14 -1.674 11.184 2.505 107 HE2 LYS 14 HE2 LYS 14 -0.127 9.087 2.183 108 HE3 LYS 14 HE3 LYS 14 -0.295 9.399 0.467 109 HZ1 LYS 14 HZ1 LYS 14 1.148 10.942 2.451 110 HZ2 LYS 14 HZ2 LYS 14 1.441 10.791 0.857 111 H LEU 15 HN LEU 15 -3.590 5.641 1.593 112 HA LEU 15 HA LEU 15 -1.047 5.293 0.175 113 HB2 LEU 15 HB2 LEU 15 -1.694 3.198 0.854 114 HB3 LEU 15 HB3 LEU 15 -3.405 3.537 0.683 115 HG LEU 15 HG LEU 15 -2.661 3.702 -1.913 116 HD11 LEU 15 HD11 LEU 15 -0.818 2.570 -2.502 117 HD12 LEU 15 HD12 LEU 15 -0.311 2.849 -0.818 118 HD13 LEU 15 HD13 LEU 15 -1.073 1.306 -1.274 119 HD21 LEU 15 HD21 LEU 15 -3.107 0.924 -0.997 120 HD22 LEU 15 HD22 LEU 15 -4.295 2.127 -0.439 121 HD23 LEU 15 HD23 LEU 15 -3.999 1.910 -2.181 122 HA PRO 16 HA PRO 16 -2.920 8.172 -2.686 123 HB2 PRO 16 HB2 PRO 16 -0.319 7.608 -4.082 124 HB3 PRO 16 HB3 PRO 16 -1.047 9.158 -3.548 125 HG2 PRO 16 HG2 PRO 16 1.099 8.089 -2.156 126 HG3 PRO 16 HG3 PRO 16 -0.326 9.023 -1.593 127 HD2 PRO 16 HD2 PRO 16 0.166 5.994 -1.577 128 HD3 PRO 16 HD3 PRO 16 -0.401 7.038 -0.239 129 H HIS 17 HN HIS 17 -4.255 5.879 -2.922 130 HA HIS 17 HA HIS 17 -3.654 3.968 -4.669 131 HB2 HIS 17 HB2 HIS 17 -5.786 4.288 -3.375 132 HB3 HIS 17 HB3 HIS 17 -6.326 5.394 -4.622 133 HD1 HIS 17 HD1 HIS 17 -7.581 4.372 -6.538 134 HD2 HIS 17 HD2 HIS 17 -5.244 1.558 -4.485 135 HE1 HIS 17 HE1 HIS 17 -8.130 2.101 -7.564 136 H LYS 18 HN LYS 18 -5.063 7.184 -5.607 137 HA LYS 18 HA LYS 18 -5.072 6.775 -8.324 138 HB2 LYS 18 HB2 LYS 18 -6.180 8.648 -7.242 139 HB3 LYS 18 HB3 LYS 18 -4.643 9.323 -6.739 140 HG2 LYS 18 HG2 LYS 18 -4.089 9.192 -9.356 141 HG3 LYS 18 HG3 LYS 18 -5.834 9.179 -9.513 142 HD2 LYS 18 HD2 LYS 18 -5.162 11.491 -9.616 143 HD3 LYS 18 HD3 LYS 18 -5.909 11.266 -8.047 144 HE2 LYS 18 HE2 LYS 18 -4.014 12.105 -7.117 145 HE3 LYS 18 HE3 LYS 18 -3.201 10.627 -7.593 146 HZ1 LYS 18 HZ1 LYS 18 -3.270 13.192 -9.054 147 HZ2 LYS 18 HZ2 LYS 18 -1.967 12.318 -8.616 148 H ALA 19 HN ALA 19 -2.464 8.361 -6.346 149 HA ALA 19 HA ALA 19 -0.661 8.692 -8.394 150 HB1 ALA 19 HB1 ALA 19 -0.766 9.085 -5.634 151 HB2 ALA 19 HB2 ALA 19 0.575 7.934 -5.846 152 HB3 ALA 19 HB3 ALA 19 0.598 9.494 -6.703 153 H HIS 20 HN HIS 20 -1.087 5.868 -6.156 154 HA HIS 20 HA HIS 20 0.982 4.372 -7.273 155 HB2 HIS 20 HB2 HIS 20 -1.400 3.796 -5.551 156 HB3 HIS 20 HB3 HIS 20 -0.536 2.446 -6.259 157 HD1 HIS 20 HD1 HIS 20 -0.020 5.359 -3.875 158 HD2 HIS 20 HD2 HIS 20 1.909 1.831 -5.070 159 HE1 HIS 20 HE1 HIS 20 1.915 5.016 -2.247 160 H GLN 21 HN GLN 21 -2.342 5.016 -8.288 161 HA GLN 21 HA GLN 21 -2.502 2.783 -10.004 162 HB2 GLN 21 HB2 GLN 21 -4.107 5.321 -9.623 163 HB3 GLN 21 HB3 GLN 21 -4.429 4.292 -11.005 164 HG2 GLN 21 HG2 GLN 21 -5.003 2.412 -9.612 165 HG3 GLN 21 HG3 GLN 21 -4.310 3.155 -8.184 166 HE21 GLN 21 HE21 GLN 21 -7.096 2.542 -9.877 167 HE22 GLN 21 HE22 GLN 21 -8.177 3.683 -9.148 168 H LYS 22 HN LYS 22 -0.596 5.562 -10.097 169 HA LYS 22 HA LYS 22 -0.605 5.600 -13.032 170 HB2 LYS 22 HB2 LYS 22 -1.163 7.734 -11.818 171 HB3 LYS 22 HB3 LYS 22 0.455 7.721 -11.145 172 HG2 LYS 22 HG2 LYS 22 0.651 9.084 -13.084 173 HG3 LYS 22 HG3 LYS 22 1.312 7.541 -13.585 174 HD2 LYS 22 HD2 LYS 22 -0.518 7.028 -14.948 175 HD3 LYS 22 HD3 LYS 22 -1.642 7.965 -13.983 176 HE2 LYS 22 HE2 LYS 22 0.330 9.788 -15.039 177 HE3 LYS 22 HE3 LYS 22 -0.216 8.776 -16.361 178 HZ1 LYS 22 HZ1 LYS 22 -2.345 9.742 -14.649 179 HZ2 LYS 22 HZ2 LYS 22 -1.570 10.918 -15.466 180 H ALA 23 HN ALA 23 1.385 5.331 -10.053 181 HA ALA 23 HA ALA 23 3.824 5.056 -11.496 182 HB1 ALA 23 HB1 ALA 23 2.948 4.574 -8.630 183 HB2 ALA 23 HB2 ALA 23 4.610 4.264 -9.186 184 HB3 ALA 23 HB3 ALA 23 3.934 5.909 -9.274 185 H VAL 24 HN VAL 24 1.132 2.973 -10.677 186 HA VAL 24 HA VAL 24 2.682 0.710 -11.715 187 HB VAL 24 HB VAL 24 0.883 0.826 -9.299 188 HG11 VAL 24 HG11 VAL 24 1.388 -1.427 -11.160 189 HG12 VAL 24 HG12 VAL 24 1.582 -1.795 -9.429 190 HG13 VAL 24 HG13 VAL 24 0.039 -1.144 -10.033 191 HG21 VAL 24 HG21 VAL 24 3.769 0.095 -9.802 192 HG22 VAL 24 HG22 VAL 24 3.089 1.263 -8.643 193 HG23 VAL 24 HG23 VAL 24 2.904 -0.484 -8.358 194 HA PRO 25 HA PRO 25 -1.005 1.956 -14.308 195 HB2 PRO 25 HB2 PRO 25 0.940 0.661 -16.238 196 HB3 PRO 25 HB3 PRO 25 -0.083 2.123 -16.416 197 HG2 PRO 25 HG2 PRO 25 2.621 2.418 -15.880 198 HG3 PRO 25 HG3 PRO 25 1.186 3.345 -15.333 199 HD2 PRO 25 HD2 PRO 25 2.838 1.226 -13.868 200 HD3 PRO 25 HD3 PRO 25 2.231 2.795 -13.258 201 H ASP 26 HN ASP 26 0.849 -0.990 -13.561 202 HA ASP 26 HA ASP 26 -1.094 -2.624 -14.892 203 HB2 ASP 26 HB2 ASP 26 0.744 -3.958 -13.002 204 HB3 ASP 26 HB3 ASP 26 0.472 -4.285 -14.701 205 HD2 ASP 26 HD2 ASP 26 3.840 -2.739 -13.814 206 H CYS 27 HN CYS 27 -3.073 -2.322 -13.708 207 HA CYS 27 HA CYS 27 -3.062 -2.364 -10.862 208 HB2 CYS 27 HB2 CYS 27 -5.548 -2.758 -12.479 209 HB3 CYS 27 HB3 CYS 27 -5.319 -1.894 -10.972 210 H LYS 28 HN LYS 28 -1.710 -4.568 -11.206 211 HA LYS 28 HA LYS 28 -3.654 -6.693 -10.770 212 HB2 LYS 28 HB2 LYS 28 -2.408 -8.237 -12.224 213 HB3 LYS 28 HB3 LYS 28 -3.123 -6.913 -13.121 214 HG2 LYS 28 HG2 LYS 28 -0.956 -5.725 -13.179 215 HG3 LYS 28 HG3 LYS 28 -0.220 -6.954 -12.170 216 HD2 LYS 28 HD2 LYS 28 0.259 -8.196 -14.002 217 HD3 LYS 28 HD3 LYS 28 -1.447 -8.316 -14.382 218 HE2 LYS 28 HE2 LYS 28 -0.854 -5.717 -15.198 219 HE3 LYS 28 HE3 LYS 28 0.631 -6.567 -15.578 220 HZ1 LYS 28 HZ1 LYS 28 -1.712 -8.043 -16.355 221 HZ2 LYS 28 HZ2 LYS 28 -1.616 -6.603 -17.111 222 H LYS 29 HN LYS 29 -0.201 -5.617 -10.755 223 HA LYS 29 HA LYS 29 0.756 -7.562 -9.043 224 HB2 LYS 29 HB2 LYS 29 2.303 -6.220 -10.217 225 HB3 LYS 29 HB3 LYS 29 1.597 -4.725 -9.636 226 HG2 LYS 29 HG2 LYS 29 3.578 -5.024 -8.328 227 HG3 LYS 29 HG3 LYS 29 2.260 -5.465 -7.261 228 HD2 LYS 29 HD2 LYS 29 2.954 -7.635 -7.113 229 HD3 LYS 29 HD3 LYS 29 3.203 -7.766 -8.843 230 HE2 LYS 29 HE2 LYS 29 5.417 -6.856 -8.715 231 HE3 LYS 29 HE3 LYS 29 5.150 -6.196 -7.114 232 HZ1 LYS 29 HZ1 LYS 29 6.330 -8.139 -6.682 233 HZ2 LYS 29 HZ2 LYS 29 4.808 -8.682 -6.479 234 H CYS 30 HN CYS 30 -1.505 -4.989 -8.469 235 HA CYS 30 HA CYS 30 -1.054 -5.246 -5.590 236 HB2 CYS 30 HB2 CYS 30 -1.826 -2.995 -7.316 237 HB3 CYS 30 HB3 CYS 30 -2.867 -3.180 -5.919 238 H HIS 31 HN HIS 31 -3.350 -5.549 -8.322 239 HA HIS 31 HA HIS 31 -5.313 -6.647 -6.449 240 HB2 HIS 31 HB2 HIS 31 -5.625 -5.362 -9.169 241 HB3 HIS 31 HB3 HIS 31 -6.912 -6.267 -8.397 242 HD1 HIS 31 HD1 HIS 31 -7.548 -5.310 -5.848 243 HD2 HIS 31 HD2 HIS 31 -5.599 -2.710 -8.502 244 HE1 HIS 31 HE1 HIS 31 -7.949 -2.951 -4.963 245 H GLU 32 HN GLU 32 -5.140 -8.829 -6.304 246 HA GLU 32 HA GLU 32 -3.944 -10.299 -8.399 247 HB2 GLU 32 HB2 GLU 32 -5.159 -10.938 -5.714 248 HB3 GLU 32 HB3 GLU 32 -4.901 -12.255 -6.842 249 HG2 GLU 32 HG2 GLU 32 -2.554 -11.972 -6.856 250 HG3 GLU 32 HG3 GLU 32 -2.647 -10.297 -6.350 251 HE2 GLU 32 HE2 GLU 32 -2.764 -11.042 -2.988 252 H LYS 33 HN LYS 33 -6.811 -11.727 -6.911 253 HA LYS 33 HA LYS 33 -7.900 -12.771 -9.114 254 HB2 LYS 33 HB2 LYS 33 -9.119 -11.743 -6.567 255 HB3 LYS 33 HB3 LYS 33 -10.159 -12.370 -7.830 256 HG2 LYS 33 HG2 LYS 33 -7.990 -14.221 -7.593 257 HG3 LYS 33 HG3 LYS 33 -8.481 -13.833 -5.956 258 HD2 LYS 33 HD2 LYS 33 -10.609 -14.746 -6.218 259 HD3 LYS 33 HD3 LYS 33 -10.684 -14.368 -7.927 260 HE2 LYS 33 HE2 LYS 33 -9.721 -16.360 -8.546 261 HE3 LYS 33 HE3 LYS 33 -8.548 -16.315 -7.244 262 HZ1 LYS 33 HZ1 LYS 33 -10.154 -17.181 -5.733 263 HZ2 LYS 33 HZ2 LYS 33 -11.404 -16.937 -6.748 264 H GLY 34 HN GLY 34 -7.920 -9.354 -8.172 265 HA2 GLY 34 HA1 GLY 34 -8.220 -8.212 -10.559 266 HA3 GLY 34 HA2 GLY 34 -9.878 -8.658 -10.208 267 HA PRO 35 HA PRO 35 -8.642 -4.446 -8.375 268 HB2 PRO 35 HB2 PRO 35 -10.728 -3.104 -9.604 269 HB3 PRO 35 HB3 PRO 35 -9.120 -3.351 -10.360 270 HG2 PRO 35 HG2 PRO 35 -11.436 -4.944 -10.464 271 HG3 PRO 35 HG3 PRO 35 -10.833 -4.627 -12.123 272 HD2 PRO 35 HD2 PRO 35 -10.037 -6.880 -11.316 273 HD3 PRO 35 HD3 PRO 35 -8.651 -5.751 -11.401 274 H GLY 36 HN GLY 36 -9.426 -4.187 -6.285 275 HA2 GLY 36 HA1 GLY 36 -11.717 -3.632 -5.272 276 HA3 GLY 36 HA2 GLY 36 -12.108 -5.276 -5.736 277 H LYS 37 HN LYS 37 -12.448 -5.239 -3.222 278 HA LYS 37 HA LYS 37 -10.477 -5.042 -1.391 279 HB2 LYS 37 HB2 LYS 37 -12.972 -6.633 -1.634 280 HB3 LYS 37 HB3 LYS 37 -11.840 -7.170 -0.410 281 HG2 LYS 37 HG2 LYS 37 -11.732 -4.554 0.173 282 HG3 LYS 37 HG3 LYS 37 -13.293 -4.531 -0.624 283 HD2 LYS 37 HD2 LYS 37 -14.247 -5.300 1.280 284 HD3 LYS 37 HD3 LYS 37 -13.360 -6.800 1.094 285 HE2 LYS 37 HE2 LYS 37 -11.385 -5.168 2.120 286 HE3 LYS 37 HE3 LYS 37 -12.803 -4.477 2.885 287 HZ1 LYS 37 HZ1 LYS 37 -12.555 -7.397 2.917 288 HZ2 LYS 37 HZ2 LYS 37 -11.583 -6.557 3.919 289 H ILE 38 HN ILE 38 -8.874 -6.412 -0.473 290 HA ILE 38 HA ILE 38 -8.067 -8.572 -2.294 291 HB ILE 38 HB ILE 38 -6.325 -6.855 -0.523 292 HG12 ILE 38 HG12 ILE 38 -6.550 -6.737 -3.539 293 HG13 ILE 38 HG13 ILE 38 -7.450 -5.674 -2.475 294 HG21 ILE 38 HG21 ILE 38 -5.506 -8.781 -2.709 295 HG22 ILE 38 HG22 ILE 38 -4.458 -7.909 -1.565 296 HG23 ILE 38 HG23 ILE 38 -5.540 -9.195 -0.978 297 HD11 ILE 38 HD11 ILE 38 -5.407 -4.529 -3.126 298 HD12 ILE 38 HD12 ILE 38 -5.256 -4.973 -1.409 299 HD13 ILE 38 HD13 ILE 38 -4.416 -5.930 -2.653 300 H GLU 39 HN GLU 39 -7.667 -10.605 -1.451 301 HA GLU 39 HA GLU 39 -8.452 -10.877 1.330 302 HB2 GLU 39 HB2 GLU 39 -9.737 -12.190 -0.318 303 HB3 GLU 39 HB3 GLU 39 -8.267 -12.932 -0.916 304 HG2 GLU 39 HG2 GLU 39 -7.886 -13.744 1.533 305 HG3 GLU 39 HG3 GLU 39 -9.555 -13.290 1.819 306 HE2 GLU 39 HE2 GLU 39 -10.698 -16.211 0.470 307 H GLY 40 HN GLY 40 -6.852 -11.084 2.829 308 HA2 GLY 40 HA1 GLY 40 -5.049 -12.643 3.488 309 HA3 GLY 40 HA2 GLY 40 -4.306 -12.303 1.938 310 H PHE 41 HN PHE 41 -4.745 -9.501 1.701 311 HA PHE 41 HA PHE 41 -2.614 -8.532 3.215 312 HB2 PHE 41 HB2 PHE 41 -3.579 -7.702 0.982 313 HB3 PHE 41 HB3 PHE 41 -4.964 -7.078 1.857 314 HD1 PHE 41 HD2 PHE 41 -4.585 -5.247 3.567 315 HD2 PHE 41 HD1 PHE 41 -1.597 -6.443 0.802 316 HE1 PHE 41 HE2 PHE 41 -3.372 -3.081 3.941 317 HE2 PHE 41 HE1 PHE 41 -0.384 -4.277 1.176 318 HZ PHE 41 HZ PHE 41 -1.286 -2.622 2.741 319 H GLY 42 HN GLY 42 -2.721 -8.513 5.441 320 HA2 GLY 42 HA1 GLY 42 -4.953 -6.970 6.609 321 HA3 GLY 42 HA2 GLY 42 -4.447 -8.503 7.291 322 H LYS 43 HN LYS 43 -1.539 -8.016 6.582 323 HA LYS 43 HA LYS 43 -0.701 -5.636 7.813 324 HB2 LYS 43 HB2 LYS 43 -1.717 -7.005 9.770 325 HB3 LYS 43 HB3 LYS 43 -0.293 -8.014 9.622 326 HG2 LYS 43 HG2 LYS 43 1.009 -5.692 9.651 327 HG3 LYS 43 HG3 LYS 43 -0.467 -5.087 10.376 328 HD2 LYS 43 HD2 LYS 43 -0.320 -6.803 12.168 329 HD3 LYS 43 HD3 LYS 43 1.116 -7.480 11.427 330 HE2 LYS 43 HE2 LYS 43 2.396 -5.450 11.850 331 HE3 LYS 43 HE3 LYS 43 0.958 -4.568 12.323 332 HZ1 LYS 43 HZ1 LYS 43 0.747 -5.998 14.259 333 HZ2 LYS 43 HZ2 LYS 43 2.000 -6.930 13.795 334 H GLU 44 HN GLU 44 0.547 -9.011 8.210 335 HA GLU 44 HA GLU 44 3.070 -8.624 7.633 336 HB2 GLU 44 HB2 GLU 44 1.190 -10.873 7.008 337 HB3 GLU 44 HB3 GLU 44 2.773 -10.950 6.260 338 HG2 GLU 44 HG2 GLU 44 2.328 -11.941 8.719 339 HG3 GLU 44 HG3 GLU 44 3.874 -11.244 8.277 340 HE2 GLU 44 HE2 GLU 44 4.515 -9.920 9.825 341 H MET 45 HN MET 45 0.482 -8.976 5.123 342 HA MET 45 HA MET 45 2.044 -8.940 2.910 343 HB2 MET 45 HB2 MET 45 -0.729 -7.896 3.584 344 HB3 MET 45 HB3 MET 45 -0.088 -7.575 1.985 345 HG2 MET 45 HG2 MET 45 -1.201 -9.626 1.657 346 HG3 MET 45 HG3 MET 45 0.449 -10.153 1.923 347 HE1 MET 45 HE1 MET 45 0.174 -12.172 2.385 348 HE2 MET 45 HE2 MET 45 0.538 -12.469 4.102 349 HE3 MET 45 HE3 MET 45 -1.031 -12.969 3.425 350 H ALA 46 HN ALA 46 0.503 -6.033 4.475 351 HA ALA 46 HA ALA 46 1.687 -4.147 2.835 352 HB1 ALA 46 HB1 ALA 46 1.298 -2.664 4.935 353 HB2 ALA 46 HB2 ALA 46 -0.112 -3.451 4.187 354 HB3 ALA 46 HB3 ALA 46 0.610 -4.135 5.663 355 H HIS 47 HN HIS 47 2.865 -5.752 5.836 356 HA HIS 47 HA HIS 47 5.256 -4.160 5.811 357 HB2 HIS 47 HB2 HIS 47 4.455 -6.530 7.524 358 HB3 HIS 47 HB3 HIS 47 5.869 -5.525 7.777 359 HD1 HIS 47 HD1 HIS 47 3.000 -5.958 9.494 360 HD2 HIS 47 HD2 HIS 47 4.489 -2.546 7.561 361 HE1 HIS 47 HE1 HIS 47 1.864 -3.958 10.599 362 H GLY 48 HN GLY 48 4.275 -6.296 3.653 363 HA2 GLY 48 HA1 GLY 48 6.961 -7.219 3.081 364 HA3 GLY 48 HA2 GLY 48 5.816 -8.488 3.468 365 H LYS 49 HN LYS 49 5.284 -9.459 1.545 366 HA LYS 49 HA LYS 49 5.244 -8.084 -0.899 367 HB2 LYS 49 HB2 LYS 49 4.850 -10.786 0.081 368 HB3 LYS 49 HB3 LYS 49 3.667 -10.401 -1.152 369 HG2 LYS 49 HG2 LYS 49 5.843 -9.347 -2.370 370 HG3 LYS 49 HG3 LYS 49 6.667 -10.525 -1.368 371 HD2 LYS 49 HD2 LYS 49 4.446 -11.922 -2.449 372 HD3 LYS 49 HD3 LYS 49 5.053 -10.953 -3.776 373 HE2 LYS 49 HE2 LYS 49 7.411 -11.929 -2.677 374 HE3 LYS 49 HE3 LYS 49 6.313 -13.265 -2.395 375 HZ1 LYS 49 HZ1 LYS 49 6.762 -11.976 -5.035 376 HZ2 LYS 49 HZ2 LYS 49 7.350 -13.427 -4.587 377 H GLY 50 HN GLY 50 3.977 -6.153 -0.254 378 HA2 GLY 50 HA1 GLY 50 1.269 -6.410 -1.111 379 HA3 GLY 50 HA2 GLY 50 1.366 -6.159 0.621 380 H CYS 51 HN CYS 51 3.515 -4.446 0.972 381 HA CYS 51 HA CYS 51 2.964 -2.205 -0.814 382 HB2 CYS 51 HB2 CYS 51 3.077 -1.926 2.193 383 HB3 CYS 51 HB3 CYS 51 2.778 -0.658 1.020 384 H LYS 52 HN LYS 52 4.910 -3.395 2.026 385 HA LYS 52 HA LYS 52 7.147 -1.801 1.406 386 HB2 LYS 52 HB2 LYS 52 6.302 -3.533 3.487 387 HB3 LYS 52 HB3 LYS 52 7.840 -4.152 2.922 388 HG2 LYS 52 HG2 LYS 52 7.517 -1.174 3.384 389 HG3 LYS 52 HG3 LYS 52 7.769 -2.234 4.757 390 HD2 LYS 52 HD2 LYS 52 9.596 -2.335 2.324 391 HD3 LYS 52 HD3 LYS 52 9.873 -1.193 3.623 392 HE2 LYS 52 HE2 LYS 52 9.786 -3.227 5.232 393 HE3 LYS 52 HE3 LYS 52 9.873 -4.235 3.801 394 HZ1 LYS 52 HZ1 LYS 52 12.062 -3.511 4.948 395 HZ2 LYS 52 HZ2 LYS 52 12.012 -3.468 3.321 396 H GLY 53 HN GLY 53 6.408 -5.314 0.872 397 HA2 GLY 53 HA1 GLY 53 8.614 -6.280 -0.252 398 HA3 GLY 53 HA2 GLY 53 7.019 -6.611 -0.898 399 H CYS 54 HN CYS 54 6.226 -4.177 -2.011 400 HA CYS 54 HA CYS 54 7.800 -4.173 -4.366 401 HB2 CYS 54 HB2 CYS 54 5.313 -3.876 -4.316 402 HB3 CYS 54 HB3 CYS 54 5.543 -2.295 -3.597 403 H HIS 55 HN HIS 55 7.235 -1.965 -1.562 404 HA HIS 55 HA HIS 55 8.696 0.185 -2.512 405 HB2 HIS 55 HB2 HIS 55 8.145 -0.766 0.310 406 HB3 HIS 55 HB3 HIS 55 8.898 0.771 -0.065 407 HD1 HIS 55 HD1 HIS 55 6.200 0.704 1.423 408 HD2 HIS 55 HD2 HIS 55 6.561 1.018 -2.744 409 HE1 HIS 55 HE1 HIS 55 4.033 1.767 0.596 410 H GLU 56 HN GLU 56 9.703 -2.680 -0.543 411 HA GLU 56 HA GLU 56 12.388 -1.782 -0.467 412 HB2 GLU 56 HB2 GLU 56 12.717 -4.238 0.385 413 HB3 GLU 56 HB3 GLU 56 11.822 -3.107 1.380 414 HG2 GLU 56 HG2 GLU 56 9.832 -4.218 1.092 415 HG3 GLU 56 HG3 GLU 56 10.136 -4.536 -0.604 416 HE2 GLU 56 HE2 GLU 56 11.493 -7.009 -0.782 417 H GLU 57 HN GLU 57 10.386 -3.591 -2.698 418 HA GLU 57 HA GLU 57 12.590 -4.933 -3.907 419 HB2 GLU 57 HB2 GLU 57 10.486 -6.075 -3.991 420 HB3 GLU 57 HB3 GLU 57 9.642 -4.657 -4.581 421 HG2 GLU 57 HG2 GLU 57 10.036 -6.302 -6.405 422 HG3 GLU 57 HG3 GLU 57 10.837 -4.779 -6.734 423 HE2 GLU 57 HE2 GLU 57 13.197 -4.995 -6.972 424 H MET 58 HN MET 58 10.512 -2.064 -4.571 425 HA MET 58 HA MET 58 12.002 -1.548 -6.979 426 HB2 MET 58 HB2 MET 58 9.658 -0.169 -5.566 427 HB3 MET 58 HB3 MET 58 10.374 0.477 -7.029 428 HG2 MET 58 HG2 MET 58 9.973 -2.049 -7.904 429 HG3 MET 58 HG3 MET 58 8.738 -2.029 -6.661 430 HE1 MET 58 HE1 MET 58 8.126 -0.779 -10.747 431 HE2 MET 58 HE2 MET 58 9.498 -1.660 -10.033 432 HE3 MET 58 HE3 MET 58 7.843 -2.289 -9.848 433 H LYS 59 HN LYS 59 11.456 -0.126 -3.705 434 HA LYS 59 HA LYS 59 12.821 1.126 -2.470 435 HB2 LYS 59 HB2 LYS 59 14.619 0.126 -4.402 436 HB3 LYS 59 HB3 LYS 59 14.919 1.850 -4.327 437 HG2 LYS 59 HG2 LYS 59 14.981 -0.144 -2.024 438 HG3 LYS 59 HG3 LYS 59 16.312 0.816 -2.640 439 HD2 LYS 59 HD2 LYS 59 14.465 2.786 -2.005 440 HD3 LYS 59 HD3 LYS 59 14.132 1.588 -0.770 441 HE2 LYS 59 HE2 LYS 59 16.464 1.594 -0.029 442 HE3 LYS 59 HE3 LYS 59 16.950 2.586 -1.390 443 HZ1 LYS 59 HZ1 LYS 59 16.410 4.397 -0.204 444 HZ2 LYS 59 HZ2 LYS 59 14.871 3.900 -0.007 445 H LYS 60 HN LYS 60 10.566 2.091 -3.846 446 HA LYS 60 HA LYS 60 11.464 4.820 -4.458 447 HB2 LYS 60 HB2 LYS 60 10.370 3.144 -6.299 448 HB3 LYS 60 HB3 LYS 60 8.918 3.886 -5.657 449 HG2 LYS 60 HG2 LYS 60 9.637 5.299 -7.465 450 HG3 LYS 60 HG3 LYS 60 10.035 6.163 -5.993 451 HD2 LYS 60 HD2 LYS 60 12.379 5.489 -6.140 452 HD3 LYS 60 HD3 LYS 60 12.036 4.383 -7.455 453 HE2 LYS 60 HE2 LYS 60 11.322 6.332 -8.882 454 HE3 LYS 60 HE3 LYS 60 11.723 7.422 -7.571 455 HZ1 LYS 60 HZ1 LYS 60 13.471 6.596 -9.471 456 HZ2 LYS 60 HZ2 LYS 60 13.915 7.233 -8.040 457 H GLY 61 HN GLY 61 8.962 2.647 -3.059 458 HA2 GLY 61 HA1 GLY 61 7.508 4.858 -1.895 459 HA3 GLY 61 HA2 GLY 61 7.189 3.144 -1.712 460 HA PRO 62 HA PRO 62 9.146 4.789 2.195 461 HB2 PRO 62 HB2 PRO 62 7.069 4.363 3.885 462 HB3 PRO 62 HB3 PRO 62 7.095 5.780 2.785 463 HG2 PRO 62 HG2 PRO 62 5.265 3.157 2.039 464 HG3 PRO 62 HG3 PRO 62 5.337 4.918 2.374 465 HD2 PRO 62 HD2 PRO 62 5.978 3.522 -0.092 466 HD3 PRO 62 HD3 PRO 62 6.197 5.264 0.255 467 H THR 63 HN THR 63 10.165 3.402 3.748 468 HA THR 63 HA THR 63 9.192 0.657 3.886 469 HB THR 63 HB THR 63 11.773 0.064 3.541 470 HG1 THR 63 HG1 THR 63 12.771 1.708 2.263 471 HG21 THR 63 HG21 THR 63 10.902 0.851 0.876 472 HG22 THR 63 HG22 THR 63 11.027 -0.789 1.558 473 HG23 THR 63 HG23 THR 63 9.528 0.148 1.762 474 H LYS 64 HN LYS 64 8.972 2.813 5.753 475 HA LYS 64 HA LYS 64 10.498 1.589 7.900 476 HB2 LYS 64 HB2 LYS 64 11.126 4.191 6.768 477 HB3 LYS 64 HB3 LYS 64 10.656 4.339 8.449 478 HG2 LYS 64 HG2 LYS 64 12.668 2.251 7.509 479 HG3 LYS 64 HG3 LYS 64 13.155 3.870 7.973 480 HD2 LYS 64 HD2 LYS 64 11.507 2.068 9.802 481 HD3 LYS 64 HD3 LYS 64 13.260 2.074 9.818 482 HE2 LYS 64 HE2 LYS 64 13.349 4.390 10.509 483 HE3 LYS 64 HE3 LYS 64 11.652 4.641 10.151 484 HZ1 LYS 64 HZ1 LYS 64 12.442 4.131 12.592 485 HZ2 LYS 64 HZ2 LYS 64 11.020 3.539 12.064 486 H CYS 65 HN CYS 65 9.582 2.124 10.049 487 HA CYS 65 HA CYS 65 6.809 1.964 9.989 488 HB2 CYS 65 HB2 CYS 65 8.290 2.916 12.416 489 HB3 CYS 65 HB3 CYS 65 6.886 1.874 12.309 490 H GLY 66 HN GLY 66 9.133 4.676 10.382 491 HA2 GLY 66 HA1 GLY 66 6.979 6.585 10.857 492 HA3 GLY 66 HA2 GLY 66 8.705 6.888 10.888 493 H GLU 67 HN GLU 67 7.584 4.975 8.185 494 HA GLU 67 HA GLU 67 7.696 7.381 6.537 495 HB2 GLU 67 HB2 GLU 67 8.944 4.662 6.184 496 HB3 GLU 67 HB3 GLU 67 8.437 5.526 4.746 497 HG2 GLU 67 HG2 GLU 67 9.785 7.515 5.479 498 HG3 GLU 67 HG3 GLU 67 10.311 6.626 6.895 499 HE2 GLU 67 HE2 GLU 67 12.030 7.225 4.063 500 H CYS 68 HN CYS 68 5.621 5.192 7.843 501 HA CYS 68 HA CYS 68 3.875 5.356 5.507 502 HB2 CYS 68 HB2 CYS 68 4.881 2.913 6.754 503 HB3 CYS 68 HB3 CYS 68 3.130 2.979 6.773 504 H HIS 69 HN HIS 69 3.993 4.261 8.986 505 HA HIS 69 HA HIS 69 1.361 5.200 9.459 506 HB2 HIS 69 HB2 HIS 69 3.541 4.292 11.359 507 HB3 HIS 69 HB3 HIS 69 1.883 4.617 11.823 508 HD1 HIS 69 HD1 HIS 69 0.013 3.035 10.570 509 HD2 HIS 69 HD2 HIS 69 3.998 1.728 10.478 510 HE1 HIS 69 HE1 HIS 69 -0.062 0.553 9.981 511 H LYS 70 HN LYS 70 0.862 7.335 9.474 512 HA LYS 70 HA LYS 70 2.386 9.050 11.222 513 HB2 LYS 70 HB2 LYS 70 3.688 9.294 9.206 514 HB3 LYS 70 HB3 LYS 70 2.251 9.550 8.237 515 HG2 LYS 70 HG2 LYS 70 3.130 11.739 8.640 516 HG3 LYS 70 HG3 LYS 70 1.751 11.596 9.712 517 HD2 LYS 70 HD2 LYS 70 3.345 12.423 11.200 518 HD3 LYS 70 HD3 LYS 70 3.547 10.701 11.455 519 HE2 LYS 70 HE2 LYS 70 5.727 10.903 10.861 520 HE3 LYS 70 HE3 LYS 70 5.219 11.328 9.239 521 HZ1 LYS 70 HZ1 LYS 70 5.514 13.286 11.455 522 HZ2 LYS 70 HZ2 LYS 70 6.605 13.067 10.266 523 H LYS 71 HN LYS 71 0.868 10.009 12.453 524 HA LYS 71 HA LYS 71 -1.834 9.881 11.908 525 HB2 LYS 71 HB2 LYS 71 -0.508 10.370 14.100 526 HB3 LYS 71 HB3 LYS 71 -0.628 12.049 13.615 527 HG2 LYS 71 HG2 LYS 71 -3.227 10.895 13.232 528 HG3 LYS 71 HG3 LYS 71 -2.665 10.356 14.802 529 HD2 LYS 71 HD2 LYS 71 -2.393 12.592 15.610 530 HD3 LYS 71 HD3 LYS 71 -2.411 13.275 13.997 531 HE2 LYS 71 HE2 LYS 71 -4.883 11.805 14.429 532 HE3 LYS 71 HE3 LYS 71 -4.632 12.906 15.769 533 HZ1 LYS 71 HZ1 LYS 71 -4.711 14.733 14.365 534 HZ2 LYS 71 HZ2 LYS 71 -4.220 13.922 13.041 Start of MODEL 11 1 H1 ALA 1 HN ALA 1 -12.182 9.625 -1.227 2 HA ALA 1 HA ALA 1 -11.724 10.665 -3.547 3 HB1 ALA 1 HB1 ALA 1 -10.148 12.230 -1.666 4 HB2 ALA 1 HB2 ALA 1 -9.105 11.478 -2.897 5 HB3 ALA 1 HB3 ALA 1 -10.460 12.519 -3.394 6 H ASP 2 HN ASP 2 -9.540 9.812 -4.667 7 HA ASP 2 HA ASP 2 -9.508 7.186 -4.565 8 HB2 ASP 2 HB2 ASP 2 -7.608 9.267 -5.381 9 HB3 ASP 2 HB3 ASP 2 -6.756 7.825 -4.863 10 HD2 ASP 2 HD2 ASP 2 -8.267 7.900 -8.440 11 H ASP 3 HN ASP 3 -7.505 9.414 -2.517 12 HA ASP 3 HA ASP 3 -5.826 7.847 -1.274 13 HB2 ASP 3 HB2 ASP 3 -7.363 9.306 0.763 14 HB3 ASP 3 HB3 ASP 3 -5.707 9.547 0.243 15 HD2 ASP 3 HD2 ASP 3 -6.445 11.819 -2.193 16 H ILE 4 HN ILE 4 -6.045 5.780 -0.404 17 HA ILE 4 HA ILE 4 -8.620 5.122 0.836 18 HB ILE 4 HB ILE 4 -6.641 3.616 -0.781 19 HG12 ILE 4 HG12 ILE 4 -9.658 3.469 -0.503 20 HG13 ILE 4 HG13 ILE 4 -8.792 4.410 -1.701 21 HG21 ILE 4 HG21 ILE 4 -6.368 2.144 0.940 22 HG22 ILE 4 HG22 ILE 4 -7.939 2.535 1.681 23 HG23 ILE 4 HG23 ILE 4 -7.869 1.497 0.236 24 HD11 ILE 4 HD11 ILE 4 -8.670 2.592 -3.038 25 HD12 ILE 4 HD12 ILE 4 -7.726 1.742 -1.791 26 HD13 ILE 4 HD13 ILE 4 -9.502 1.622 -1.799 27 H VAL 5 HN VAL 5 -8.173 6.126 2.866 28 HA VAL 5 HA VAL 5 -5.792 5.599 4.280 29 HB VAL 5 HB VAL 5 -8.499 6.451 5.323 30 HG11 VAL 5 HG11 VAL 5 -6.249 7.675 6.632 31 HG12 VAL 5 HG12 VAL 5 -7.525 6.642 7.319 32 HG13 VAL 5 HG13 VAL 5 -6.050 5.906 6.646 33 HG21 VAL 5 HG21 VAL 5 -6.309 8.000 3.940 34 HG22 VAL 5 HG22 VAL 5 -8.062 8.011 3.632 35 HG23 VAL 5 HG23 VAL 5 -7.411 8.787 5.095 36 H LEU 6 HN LEU 6 -5.173 3.852 5.457 37 HA LEU 6 HA LEU 6 -7.136 1.715 5.726 38 HB2 LEU 6 HB2 LEU 6 -4.129 1.780 5.976 39 HB3 LEU 6 HB3 LEU 6 -5.107 0.365 6.310 40 HG LEU 6 HG LEU 6 -5.145 1.774 3.634 41 HD11 LEU 6 HD11 LEU 6 -3.492 -0.669 4.299 42 HD12 LEU 6 HD12 LEU 6 -3.502 0.283 2.795 43 HD13 LEU 6 HD13 LEU 6 -2.838 0.986 4.289 44 HD21 LEU 6 HD21 LEU 6 -7.073 0.364 4.056 45 HD22 LEU 6 HD22 LEU 6 -6.023 -0.383 2.829 46 HD23 LEU 6 HD23 LEU 6 -6.015 -0.997 4.500 47 H LYS 7 HN LYS 7 -7.341 0.548 7.789 48 HA LYS 7 HA LYS 7 -7.404 2.438 9.958 49 HB2 LYS 7 HB2 LYS 7 -8.246 -0.474 9.905 50 HB3 LYS 7 HB3 LYS 7 -8.653 0.714 11.125 51 HG2 LYS 7 HG2 LYS 7 -9.427 1.935 8.700 52 HG3 LYS 7 HG3 LYS 7 -9.880 0.255 8.492 53 HD2 LYS 7 HD2 LYS 7 -11.766 0.834 9.649 54 HD3 LYS 7 HD3 LYS 7 -10.750 0.688 11.069 55 HE2 LYS 7 HE2 LYS 7 -10.114 3.197 10.614 56 HE3 LYS 7 HE3 LYS 7 -11.519 3.216 9.567 57 HZ1 LYS 7 HZ1 LYS 7 -12.857 2.454 11.486 58 HZ2 LYS 7 HZ2 LYS 7 -11.547 2.506 12.452 59 H ALA 8 HN ALA 8 -5.753 2.772 11.337 60 HA ALA 8 HA ALA 8 -4.258 0.559 12.343 61 HB1 ALA 8 HB1 ALA 8 -3.091 2.415 10.270 62 HB2 ALA 8 HB2 ALA 8 -2.051 1.751 11.554 63 HB3 ALA 8 HB3 ALA 8 -2.904 0.654 10.442 64 H LYS 9 HN LYS 9 -4.378 1.081 14.470 65 HA LYS 9 HA LYS 9 -4.693 3.757 15.322 66 HB2 LYS 9 HB2 LYS 9 -4.610 1.066 16.527 67 HB3 LYS 9 HB3 LYS 9 -4.005 2.337 17.570 68 HG2 LYS 9 HG2 LYS 9 -6.095 3.662 17.158 69 HG3 LYS 9 HG3 LYS 9 -6.701 2.379 16.130 70 HD2 LYS 9 HD2 LYS 9 -7.523 1.308 17.948 71 HD3 LYS 9 HD3 LYS 9 -5.899 1.135 18.583 72 HE2 LYS 9 HE2 LYS 9 -7.357 3.774 18.910 73 HE3 LYS 9 HE3 LYS 9 -7.730 2.442 19.986 74 HZ1 LYS 9 HZ1 LYS 9 -5.946 3.195 21.130 75 HZ2 LYS 9 HZ2 LYS 9 -5.021 2.465 20.006 76 H ASN 10 HN ASN 10 -1.993 2.016 14.197 77 HA ASN 10 HA ASN 10 -0.129 3.266 15.964 78 HB2 ASN 10 HB2 ASN 10 0.175 1.557 13.445 79 HB3 ASN 10 HB3 ASN 10 1.556 2.210 14.303 80 HD21 ASN 10 HD21 ASN 10 2.198 1.372 16.223 81 HD22 ASN 10 HD22 ASN 10 1.538 -0.058 16.944 82 H GLY 11 HN GLY 11 -2.037 4.327 13.437 83 HA2 GLY 11 HA1 GLY 11 -1.597 6.683 12.845 84 HA3 GLY 11 HA2 GLY 11 0.030 6.188 12.421 85 H ASP 12 HN ASP 12 -3.111 6.735 11.233 86 HA ASP 12 HA ASP 12 -3.696 4.888 9.447 87 HB2 ASP 12 HB2 ASP 12 -3.921 7.836 9.555 88 HB3 ASP 12 HB3 ASP 12 -3.940 7.225 7.912 89 HD2 ASP 12 HD2 ASP 12 -6.054 8.415 9.412 90 H VAL 13 HN VAL 13 -3.114 4.460 7.160 91 HA VAL 13 HA VAL 13 -0.453 5.493 6.457 92 HB VAL 13 HB VAL 13 -1.629 2.766 5.887 93 HG11 VAL 13 HG11 VAL 13 0.534 4.215 4.676 94 HG12 VAL 13 HG12 VAL 13 1.194 2.823 5.568 95 HG13 VAL 13 HG13 VAL 13 -0.053 2.573 4.323 96 HG21 VAL 13 HG21 VAL 13 0.479 2.193 7.415 97 HG22 VAL 13 HG22 VAL 13 0.118 3.804 8.078 98 HG23 VAL 13 HG23 VAL 13 -1.125 2.531 8.108 99 H LYS 14 HN LYS 14 -1.527 7.281 5.355 100 HA LYS 14 HA LYS 14 -3.514 6.958 3.462 101 HB2 LYS 14 HB2 LYS 14 -3.060 9.130 4.253 102 HB3 LYS 14 HB3 LYS 14 -1.352 9.019 3.877 103 HG2 LYS 14 HG2 LYS 14 -2.605 8.550 1.399 104 HG3 LYS 14 HG3 LYS 14 -3.600 9.791 2.135 105 HD2 LYS 14 HD2 LYS 14 -1.736 11.296 2.382 106 HD3 LYS 14 HD3 LYS 14 -0.566 10.026 2.087 107 HE2 LYS 14 HE2 LYS 14 -1.694 9.799 -0.266 108 HE3 LYS 14 HE3 LYS 14 -2.436 11.347 0.084 109 HZ1 LYS 14 HZ1 LYS 14 0.103 11.890 0.690 110 HZ2 LYS 14 HZ2 LYS 14 0.363 10.757 -0.450 111 H LEU 15 HN LEU 15 -3.540 5.688 1.693 112 HA LEU 15 HA LEU 15 -0.974 5.270 0.333 113 HB2 LEU 15 HB2 LEU 15 -1.670 3.190 1.011 114 HB3 LEU 15 HB3 LEU 15 -3.371 3.557 0.804 115 HG LEU 15 HG LEU 15 -2.631 3.687 -1.771 116 HD11 LEU 15 HD11 LEU 15 -0.759 2.604 -2.372 117 HD12 LEU 15 HD12 LEU 15 -0.245 2.928 -0.698 118 HD13 LEU 15 HD13 LEU 15 -0.954 1.351 -1.123 119 HD21 LEU 15 HD21 LEU 15 -4.317 2.227 -1.580 120 HD22 LEU 15 HD22 LEU 15 -3.040 0.988 -1.545 121 HD23 LEU 15 HD23 LEU 15 -3.730 1.598 -0.022 122 HA PRO 16 HA PRO 16 -2.753 8.184 -2.556 123 HB2 PRO 16 HB2 PRO 16 -0.137 7.570 -3.905 124 HB3 PRO 16 HB3 PRO 16 -0.851 9.135 -3.395 125 HG2 PRO 16 HG2 PRO 16 1.247 8.044 -1.958 126 HG3 PRO 16 HG3 PRO 16 -0.171 9.003 -1.422 127 HD2 PRO 16 HD2 PRO 16 0.279 5.970 -1.376 128 HD3 PRO 16 HD3 PRO 16 -0.307 7.031 -0.060 129 H HIS 17 HN HIS 17 -4.146 5.946 -2.828 130 HA HIS 17 HA HIS 17 -3.527 4.019 -4.574 131 HB2 HIS 17 HB2 HIS 17 -5.665 4.365 -3.273 132 HB3 HIS 17 HB3 HIS 17 -6.201 5.440 -4.549 133 HD1 HIS 17 HD1 HIS 17 -7.458 4.364 -6.431 134 HD2 HIS 17 HD2 HIS 17 -5.078 1.617 -4.336 135 HE1 HIS 17 HE1 HIS 17 -7.981 2.069 -7.414 136 H LYS 18 HN LYS 18 -4.921 7.250 -5.484 137 HA LYS 18 HA LYS 18 -4.967 6.888 -8.194 138 HB2 LYS 18 HB2 LYS 18 -5.977 8.792 -7.071 139 HB3 LYS 18 HB3 LYS 18 -4.406 9.398 -6.588 140 HG2 LYS 18 HG2 LYS 18 -3.908 9.272 -9.220 141 HG3 LYS 18 HG3 LYS 18 -5.655 9.342 -9.339 142 HD2 LYS 18 HD2 LYS 18 -4.617 11.316 -7.416 143 HD3 LYS 18 HD3 LYS 18 -3.913 11.530 -9.006 144 HE2 LYS 18 HE2 LYS 18 -5.818 12.615 -9.604 145 HE3 LYS 18 HE3 LYS 18 -6.634 11.065 -9.554 146 HZ1 LYS 18 HZ1 LYS 18 -6.302 12.341 -6.968 147 HZ2 LYS 18 HZ2 LYS 18 -7.301 13.129 -7.984 148 H ALA 19 HN ALA 19 -2.289 8.528 -6.354 149 HA ALA 19 HA ALA 19 -0.522 8.697 -8.436 150 HB1 ALA 19 HB1 ALA 19 -0.501 8.878 -5.527 151 HB2 ALA 19 HB2 ALA 19 1.016 8.175 -6.138 152 HB3 ALA 19 HB3 ALA 19 0.473 9.766 -6.724 153 H HIS 20 HN HIS 20 -1.044 5.968 -6.116 154 HA HIS 20 HA HIS 20 1.010 4.384 -7.155 155 HB2 HIS 20 HB2 HIS 20 -1.387 3.940 -5.417 156 HB3 HIS 20 HB3 HIS 20 -0.570 2.538 -6.078 157 HD1 HIS 20 HD1 HIS 20 -0.003 5.471 -3.747 158 HD2 HIS 20 HD2 HIS 20 1.906 1.926 -4.922 159 HE1 HIS 20 HE1 HIS 20 1.936 5.132 -2.124 160 H GLN 21 HN GLN 21 -2.221 5.167 -8.284 161 HA GLN 21 HA GLN 21 -2.406 2.848 -9.928 162 HB2 GLN 21 HB2 GLN 21 -4.062 5.358 -9.563 163 HB3 GLN 21 HB3 GLN 21 -4.383 4.284 -10.910 164 HG2 GLN 21 HG2 GLN 21 -4.899 2.434 -9.460 165 HG3 GLN 21 HG3 GLN 21 -4.185 3.221 -8.066 166 HE21 GLN 21 HE21 GLN 21 -6.999 2.524 -9.678 167 HE22 GLN 21 HE22 GLN 21 -8.082 3.662 -8.949 168 H LYS 22 HN LYS 22 -0.607 5.715 -10.051 169 HA LYS 22 HA LYS 22 -0.602 5.687 -12.987 170 HB2 LYS 22 HB2 LYS 22 -1.170 7.810 -11.463 171 HB3 LYS 22 HB3 LYS 22 0.576 7.952 -11.438 172 HG2 LYS 22 HG2 LYS 22 0.061 9.171 -13.369 173 HG3 LYS 22 HG3 LYS 22 0.394 7.592 -14.053 174 HD2 LYS 22 HD2 LYS 22 -2.412 7.802 -13.217 175 HD3 LYS 22 HD3 LYS 22 -1.992 9.091 -14.326 176 HE2 LYS 22 HE2 LYS 22 -1.892 7.662 -16.097 177 HE3 LYS 22 HE3 LYS 22 -0.851 6.548 -15.232 178 HZ1 LYS 22 HZ1 LYS 22 -3.808 6.674 -14.965 179 HZ2 LYS 22 HZ2 LYS 22 -2.975 5.505 -15.734 180 H ALA 23 HN ALA 23 1.359 5.580 -9.985 181 HA ALA 23 HA ALA 23 3.840 5.482 -11.353 182 HB1 ALA 23 HB1 ALA 23 3.873 6.247 -9.113 183 HB2 ALA 23 HB2 ALA 23 2.887 4.881 -8.539 184 HB3 ALA 23 HB3 ALA 23 4.577 4.615 -9.031 185 H VAL 24 HN VAL 24 1.382 3.109 -10.330 186 HA VAL 24 HA VAL 24 3.124 0.990 -11.380 187 HB VAL 24 HB VAL 24 0.917 0.985 -9.323 188 HG11 VAL 24 HG11 VAL 24 1.526 -1.091 -11.179 189 HG12 VAL 24 HG12 VAL 24 2.128 -1.597 -9.582 190 HG13 VAL 24 HG13 VAL 24 0.420 -1.137 -9.785 191 HG21 VAL 24 HG21 VAL 24 3.886 0.416 -9.274 192 HG22 VAL 24 HG22 VAL 24 2.954 1.581 -8.302 193 HG23 VAL 24 HG23 VAL 24 2.792 -0.165 -7.995 194 HA PRO 25 HA PRO 25 0.000 1.457 -14.624 195 HB2 PRO 25 HB2 PRO 25 1.655 0.733 -16.671 196 HB3 PRO 25 HB3 PRO 25 1.743 2.352 -15.904 197 HG2 PRO 25 HG2 PRO 25 3.273 0.014 -15.441 198 HG3 PRO 25 HG3 PRO 25 4.035 1.629 -15.615 199 HD2 PRO 25 HD2 PRO 25 3.687 0.512 -13.167 200 HD3 PRO 25 HD3 PRO 25 3.359 2.255 -13.407 201 H ASP 26 HN ASP 26 -0.235 -0.703 -12.841 202 HA ASP 26 HA ASP 26 -0.956 -2.724 -14.653 203 HB2 ASP 26 HB2 ASP 26 1.056 -3.662 -12.596 204 HB3 ASP 26 HB3 ASP 26 0.536 -4.470 -14.061 205 HD2 ASP 26 HD2 ASP 26 3.758 -2.731 -13.639 206 H CYS 27 HN CYS 27 -2.979 -2.214 -13.485 207 HA CYS 27 HA CYS 27 -3.107 -2.391 -10.674 208 HB2 CYS 27 HB2 CYS 27 -5.521 -2.781 -12.394 209 HB3 CYS 27 HB3 CYS 27 -5.353 -1.920 -10.877 210 H LYS 28 HN LYS 28 -1.736 -4.576 -10.939 211 HA LYS 28 HA LYS 28 -3.674 -6.716 -10.611 212 HB2 LYS 28 HB2 LYS 28 -1.911 -8.139 -11.998 213 HB3 LYS 28 HB3 LYS 28 -3.268 -7.334 -12.760 214 HG2 LYS 28 HG2 LYS 28 -1.804 -5.357 -13.259 215 HG3 LYS 28 HG3 LYS 28 -0.448 -6.181 -12.516 216 HD2 LYS 28 HD2 LYS 28 -1.959 -7.609 -14.708 217 HD3 LYS 28 HD3 LYS 28 -0.877 -6.308 -15.161 218 HE2 LYS 28 HE2 LYS 28 0.660 -8.037 -15.190 219 HE3 LYS 28 HE3 LYS 28 0.802 -7.610 -13.496 220 HZ1 LYS 28 HZ1 LYS 28 -0.251 -10.009 -14.633 221 HZ2 LYS 28 HZ2 LYS 28 0.192 -9.725 -13.092 222 H LYS 29 HN LYS 29 -0.163 -5.797 -10.621 223 HA LYS 29 HA LYS 29 0.724 -7.708 -8.874 224 HB2 LYS 29 HB2 LYS 29 1.676 -4.837 -9.102 225 HB3 LYS 29 HB3 LYS 29 2.581 -6.173 -8.420 226 HG2 LYS 29 HG2 LYS 29 1.485 -6.558 -11.193 227 HG3 LYS 29 HG3 LYS 29 2.807 -5.422 -11.020 228 HD2 LYS 29 HD2 LYS 29 3.623 -7.617 -9.460 229 HD3 LYS 29 HD3 LYS 29 2.836 -8.365 -10.836 230 HE2 LYS 29 HE2 LYS 29 4.257 -6.668 -12.275 231 HE3 LYS 29 HE3 LYS 29 5.225 -6.490 -10.825 232 HZ1 LYS 29 HZ1 LYS 29 5.527 -8.937 -10.835 233 HZ2 LYS 29 HZ2 LYS 29 4.693 -9.054 -12.229 234 H CYS 30 HN CYS 30 -1.352 -4.930 -8.289 235 HA CYS 30 HA CYS 30 -0.979 -5.262 -5.416 236 HB2 CYS 30 HB2 CYS 30 -1.628 -2.999 -7.141 237 HB3 CYS 30 HB3 CYS 30 -2.785 -3.166 -5.835 238 H HIS 31 HN HIS 31 -3.234 -5.621 -8.158 239 HA HIS 31 HA HIS 31 -5.233 -6.649 -6.281 240 HB2 HIS 31 HB2 HIS 31 -5.520 -5.375 -9.009 241 HB3 HIS 31 HB3 HIS 31 -6.819 -6.264 -8.240 242 HD1 HIS 31 HD1 HIS 31 -7.503 -5.285 -5.729 243 HD2 HIS 31 HD2 HIS 31 -5.425 -2.725 -8.322 244 HE1 HIS 31 HE1 HIS 31 -7.873 -2.920 -4.847 245 H GLU 32 HN GLU 32 -5.123 -8.832 -6.128 246 HA GLU 32 HA GLU 32 -3.935 -10.328 -8.220 247 HB2 GLU 32 HB2 GLU 32 -3.582 -11.032 -5.927 248 HB3 GLU 32 HB3 GLU 32 -5.304 -11.108 -5.615 249 HG2 GLU 32 HG2 GLU 32 -4.932 -12.779 -7.865 250 HG3 GLU 32 HG3 GLU 32 -3.550 -13.118 -6.844 251 HE2 GLU 32 HE2 GLU 32 -6.061 -14.575 -7.398 252 H LYS 33 HN LYS 33 -6.808 -11.697 -6.680 253 HA LYS 33 HA LYS 33 -7.933 -12.765 -8.852 254 HB2 LYS 33 HB2 LYS 33 -9.112 -11.670 -6.315 255 HB3 LYS 33 HB3 LYS 33 -10.175 -12.300 -7.557 256 HG2 LYS 33 HG2 LYS 33 -8.040 -14.187 -7.310 257 HG3 LYS 33 HG3 LYS 33 -8.503 -13.761 -5.675 258 HD2 LYS 33 HD2 LYS 33 -10.117 -15.365 -5.987 259 HD3 LYS 33 HD3 LYS 33 -10.987 -14.057 -6.765 260 HE2 LYS 33 HE2 LYS 33 -10.073 -14.751 -8.982 261 HE3 LYS 33 HE3 LYS 33 -9.167 -16.040 -8.215 262 HZ1 LYS 33 HZ1 LYS 33 -12.096 -15.823 -8.501 263 HZ2 LYS 33 HZ2 LYS 33 -11.133 -17.071 -8.911 264 H GLY 34 HN GLY 34 -7.893 -9.330 -7.975 265 HA2 GLY 34 HA1 GLY 34 -8.200 -8.237 -10.389 266 HA3 GLY 34 HA2 GLY 34 -9.861 -8.638 -10.000 267 HA PRO 35 HA PRO 35 -8.587 -4.428 -8.258 268 HB2 PRO 35 HB2 PRO 35 -10.619 -3.046 -9.497 269 HB3 PRO 35 HB3 PRO 35 -9.048 -3.395 -10.289 270 HG2 PRO 35 HG2 PRO 35 -11.424 -4.877 -10.217 271 HG3 PRO 35 HG3 PRO 35 -10.925 -4.650 -11.925 272 HD2 PRO 35 HD2 PRO 35 -10.170 -6.904 -11.086 273 HD3 PRO 35 HD3 PRO 35 -8.746 -5.842 -11.303 274 H GLY 36 HN GLY 36 -9.352 -4.131 -6.166 275 HA2 GLY 36 HA1 GLY 36 -11.647 -3.511 -5.172 276 HA3 GLY 36 HA2 GLY 36 -12.043 -5.169 -5.580 277 H LYS 37 HN LYS 37 -12.301 -5.884 -3.415 278 HA LYS 37 HA LYS 37 -10.415 -5.352 -1.407 279 HB2 LYS 37 HB2 LYS 37 -11.721 -6.724 -0.056 280 HB3 LYS 37 HB3 LYS 37 -12.872 -6.091 -1.216 281 HG2 LYS 37 HG2 LYS 37 -12.751 -8.157 -2.548 282 HG3 LYS 37 HG3 LYS 37 -11.462 -8.781 -1.538 283 HD2 LYS 37 HD2 LYS 37 -12.944 -9.585 -0.018 284 HD3 LYS 37 HD3 LYS 37 -13.715 -8.019 0.141 285 HE2 LYS 37 HE2 LYS 37 -15.270 -8.459 -1.608 286 HE3 LYS 37 HE3 LYS 37 -14.285 -9.733 -2.298 287 HZ1 LYS 37 HZ1 LYS 37 -14.800 -10.621 0.234 288 HZ2 LYS 37 HZ2 LYS 37 -16.209 -9.919 -0.181 289 H ILE 38 HN ILE 38 -8.760 -6.676 -0.497 290 HA ILE 38 HA ILE 38 -7.781 -8.696 -2.392 291 HB ILE 38 HB ILE 38 -6.177 -6.964 -0.509 292 HG12 ILE 38 HG12 ILE 38 -6.387 -6.702 -3.518 293 HG13 ILE 38 HG13 ILE 38 -7.335 -5.739 -2.403 294 HG21 ILE 38 HG21 ILE 38 -4.242 -7.809 -1.747 295 HG22 ILE 38 HG22 ILE 38 -5.141 -9.128 -0.960 296 HG23 ILE 38 HG23 ILE 38 -5.310 -8.858 -2.711 297 HD11 ILE 38 HD11 ILE 38 -5.429 -4.393 -2.851 298 HD12 ILE 38 HD12 ILE 38 -5.068 -5.131 -1.272 299 HD13 ILE 38 HD13 ILE 38 -4.319 -5.781 -2.750 300 H GLU 39 HN GLU 39 -7.527 -10.759 -1.664 301 HA GLU 39 HA GLU 39 -8.210 -11.166 1.119 302 HB2 GLU 39 HB2 GLU 39 -9.003 -12.449 -1.228 303 HB3 GLU 39 HB3 GLU 39 -7.829 -13.566 -0.561 304 HG2 GLU 39 HG2 GLU 39 -9.172 -14.125 1.212 305 HG3 GLU 39 HG3 GLU 39 -9.682 -12.469 1.477 306 HE2 GLU 39 HE2 GLU 39 -12.421 -12.753 -0.712 307 H GLY 40 HN GLY 40 -6.558 -11.351 2.565 308 HA2 GLY 40 HA1 GLY 40 -4.734 -12.953 3.122 309 HA3 GLY 40 HA2 GLY 40 -4.019 -12.511 1.585 310 H PHE 41 HN PHE 41 -4.607 -9.687 1.568 311 HA PHE 41 HA PHE 41 -2.460 -8.792 3.171 312 HB2 PHE 41 HB2 PHE 41 -3.255 -7.892 0.913 313 HB3 PHE 41 HB3 PHE 41 -4.720 -7.321 1.686 314 HD1 PHE 41 HD1 PHE 41 -4.446 -5.604 3.593 315 HD2 PHE 41 HD2 PHE 41 -1.373 -6.517 0.813 316 HE1 PHE 41 HE1 PHE 41 -3.317 -3.427 4.127 317 HE2 PHE 41 HE2 PHE 41 -0.244 -4.339 1.346 318 HZ PHE 41 HZ PHE 41 -1.229 -2.820 2.997 319 H GLY 42 HN GLY 42 -2.500 -7.210 4.901 320 HA2 GLY 42 HA1 GLY 42 -4.806 -6.188 6.083 321 HA3 GLY 42 HA2 GLY 42 -4.472 -7.724 6.857 322 H LYS 43 HN LYS 43 -1.515 -7.567 6.449 323 HA LYS 43 HA LYS 43 -0.605 -5.173 7.666 324 HB2 LYS 43 HB2 LYS 43 -1.817 -6.553 9.538 325 HB3 LYS 43 HB3 LYS 43 -0.374 -7.547 9.498 326 HG2 LYS 43 HG2 LYS 43 0.743 -5.022 9.519 327 HG3 LYS 43 HG3 LYS 43 -0.717 -4.739 10.445 328 HD2 LYS 43 HD2 LYS 43 0.942 -7.179 11.098 329 HD3 LYS 43 HD3 LYS 43 1.528 -5.612 11.622 330 HE2 LYS 43 HE2 LYS 43 0.191 -5.948 13.448 331 HE3 LYS 43 HE3 LYS 43 -1.115 -5.442 12.393 332 HZ1 LYS 43 HZ1 LYS 43 -1.635 -7.711 11.919 333 HZ2 LYS 43 HZ2 LYS 43 -0.272 -8.278 12.605 334 H GLU 44 HN GLU 44 0.465 -8.587 8.178 335 HA GLU 44 HA GLU 44 3.029 -8.307 7.707 336 HB2 GLU 44 HB2 GLU 44 3.095 -10.647 6.967 337 HB3 GLU 44 HB3 GLU 44 1.908 -10.457 8.243 338 HG2 GLU 44 HG2 GLU 44 1.303 -10.550 5.248 339 HG3 GLU 44 HG3 GLU 44 1.017 -11.850 6.388 340 HE2 GLU 44 HE2 GLU 44 -1.955 -9.763 5.779 341 H MET 45 HN MET 45 0.516 -8.579 5.124 342 HA MET 45 HA MET 45 2.186 -8.707 2.972 343 HB2 MET 45 HB2 MET 45 -0.612 -7.798 3.546 344 HB3 MET 45 HB3 MET 45 0.060 -7.163 2.058 345 HG2 MET 45 HG2 MET 45 0.781 -9.918 2.089 346 HG3 MET 45 HG3 MET 45 -0.881 -9.870 2.641 347 HE1 MET 45 HE1 MET 45 -0.272 -11.289 -0.240 348 HE2 MET 45 HE2 MET 45 -1.715 -11.141 0.792 349 HE3 MET 45 HE3 MET 45 -1.791 -10.658 -0.920 350 H ALA 46 HN ALA 46 0.716 -5.727 4.458 351 HA ALA 46 HA ALA 46 1.971 -3.909 2.782 352 HB1 ALA 46 HB1 ALA 46 0.049 -3.527 4.387 353 HB2 ALA 46 HB2 ALA 46 1.243 -3.506 5.707 354 HB3 ALA 46 HB3 ALA 46 1.312 -2.274 4.425 355 H HIS 47 HN HIS 47 3.039 -5.451 5.861 356 HA HIS 47 HA HIS 47 5.452 -3.926 5.900 357 HB2 HIS 47 HB2 HIS 47 4.594 -6.351 7.504 358 HB3 HIS 47 HB3 HIS 47 6.022 -5.385 7.818 359 HD1 HIS 47 HD1 HIS 47 3.117 -5.829 9.472 360 HD2 HIS 47 HD2 HIS 47 4.701 -2.373 7.698 361 HE1 HIS 47 HE1 HIS 47 2.000 -3.852 10.635 362 H GLY 48 HN GLY 48 4.433 -6.142 3.744 363 HA2 GLY 48 HA1 GLY 48 7.146 -6.956 3.102 364 HA3 GLY 48 HA2 GLY 48 6.050 -8.259 3.517 365 H LYS 49 HN LYS 49 5.609 -9.247 1.566 366 HA LYS 49 HA LYS 49 5.439 -7.878 -0.861 367 HB2 LYS 49 HB2 LYS 49 5.279 -10.575 0.095 368 HB3 LYS 49 HB3 LYS 49 3.924 -10.293 -0.979 369 HG2 LYS 49 HG2 LYS 49 5.575 -9.284 -2.655 370 HG3 LYS 49 HG3 LYS 49 6.873 -9.811 -1.603 371 HD2 LYS 49 HD2 LYS 49 4.797 -11.849 -2.400 372 HD3 LYS 49 HD3 LYS 49 5.963 -11.355 -3.612 373 HE2 LYS 49 HE2 LYS 49 6.872 -13.294 -2.460 374 HE3 LYS 49 HE3 LYS 49 7.825 -11.902 -1.988 375 HZ1 LYS 49 HZ1 LYS 49 6.850 -13.519 -0.184 376 HZ2 LYS 49 HZ2 LYS 49 6.925 -11.922 0.126 377 H GLY 50 HN GLY 50 4.109 -6.001 -0.357 378 HA2 GLY 50 HA1 GLY 50 1.422 -6.333 -1.147 379 HA3 GLY 50 HA2 GLY 50 1.489 -6.139 0.593 380 H CYS 51 HN CYS 51 3.689 -4.385 0.914 381 HA CYS 51 HA CYS 51 3.001 -2.094 -0.749 382 HB2 CYS 51 HB2 CYS 51 3.141 -1.941 2.267 383 HB3 CYS 51 HB3 CYS 51 2.829 -0.619 1.160 384 H LYS 52 HN LYS 52 5.031 -3.297 2.028 385 HA LYS 52 HA LYS 52 7.213 -1.626 1.372 386 HB2 LYS 52 HB2 LYS 52 6.444 -3.365 3.482 387 HB3 LYS 52 HB3 LYS 52 7.999 -3.931 2.906 388 HG2 LYS 52 HG2 LYS 52 7.649 -0.959 3.260 389 HG3 LYS 52 HG3 LYS 52 7.779 -1.934 4.710 390 HD2 LYS 52 HD2 LYS 52 9.778 -2.213 2.431 391 HD3 LYS 52 HD3 LYS 52 9.979 -0.996 3.675 392 HE2 LYS 52 HE2 LYS 52 9.449 -3.286 5.178 393 HE3 LYS 52 HE3 LYS 52 10.369 -3.932 3.834 394 HZ1 LYS 52 HZ1 LYS 52 11.401 -1.496 5.082 395 HZ2 LYS 52 HZ2 LYS 52 11.555 -2.875 5.935 396 H GLY 53 HN GLY 53 6.542 -5.157 0.875 397 HA2 GLY 53 HA1 GLY 53 8.736 -6.118 -0.247 398 HA3 GLY 53 HA2 GLY 53 7.148 -6.437 -0.915 399 H CYS 54 HN CYS 54 6.409 -3.933 -1.979 400 HA CYS 54 HA CYS 54 8.009 -3.938 -4.329 401 HB2 CYS 54 HB2 CYS 54 5.533 -3.645 -4.347 402 HB3 CYS 54 HB3 CYS 54 5.725 -2.088 -3.566 403 H HIS 55 HN HIS 55 7.323 -1.678 -1.578 404 HA HIS 55 HA HIS 55 8.807 0.458 -2.456 405 HB2 HIS 55 HB2 HIS 55 8.292 -0.536 0.360 406 HB3 HIS 55 HB3 HIS 55 8.982 1.031 -0.017 407 HD1 HIS 55 HD1 HIS 55 6.273 0.779 1.489 408 HD2 HIS 55 HD2 HIS 55 6.640 1.274 -2.660 409 HE1 HIS 55 HE1 HIS 55 4.067 1.782 0.691 410 H GLU 56 HN GLU 56 9.841 -2.420 -0.516 411 HA GLU 56 HA GLU 56 12.507 -1.505 -0.387 412 HB2 GLU 56 HB2 GLU 56 12.851 -4.014 0.328 413 HB3 GLU 56 HB3 GLU 56 11.963 -2.931 1.381 414 HG2 GLU 56 HG2 GLU 56 9.960 -4.005 1.031 415 HG3 GLU 56 HG3 GLU 56 10.276 -4.265 -0.674 416 HE2 GLU 56 HE2 GLU 56 11.353 -6.066 -1.233 417 H GLU 57 HN GLU 57 10.574 -3.120 -2.785 418 HA GLU 57 HA GLU 57 12.811 -4.412 -4.010 419 HB2 GLU 57 HB2 GLU 57 9.860 -4.312 -4.409 420 HB3 GLU 57 HB3 GLU 57 10.794 -4.528 -5.876 421 HG2 GLU 57 HG2 GLU 57 10.886 -6.271 -3.373 422 HG3 GLU 57 HG3 GLU 57 10.280 -6.730 -4.953 423 HE2 GLU 57 HE2 GLU 57 13.435 -7.735 -3.736 424 H MET 58 HN MET 58 10.682 -1.554 -4.600 425 HA MET 58 HA MET 58 12.216 -0.879 -6.929 426 HB2 MET 58 HB2 MET 58 9.855 0.400 -5.455 427 HB3 MET 58 HB3 MET 58 10.590 1.156 -6.854 428 HG2 MET 58 HG2 MET 58 10.212 -1.312 -7.908 429 HG3 MET 58 HG3 MET 58 8.943 -1.361 -6.700 430 HE1 MET 58 HE1 MET 58 8.967 -1.647 -9.598 431 HE2 MET 58 HE2 MET 58 7.345 -0.993 -9.928 432 HE3 MET 58 HE3 MET 58 8.780 -0.218 -10.643 433 H LYS 59 HN LYS 59 11.677 0.315 -3.570 434 HA LYS 59 HA LYS 59 13.028 1.498 -2.257 435 HB2 LYS 59 HB2 LYS 59 14.977 1.851 -4.545 436 HB3 LYS 59 HB3 LYS 59 15.291 2.011 -2.829 437 HG2 LYS 59 HG2 LYS 59 14.223 -0.613 -3.906 438 HG3 LYS 59 HG3 LYS 59 15.924 -0.235 -4.093 439 HD2 LYS 59 HD2 LYS 59 15.324 0.420 -1.396 440 HD3 LYS 59 HD3 LYS 59 14.475 -1.084 -1.694 441 HE2 LYS 59 HE2 LYS 59 16.620 -2.063 -2.620 442 HE3 LYS 59 HE3 LYS 59 17.447 -0.577 -2.197 443 HZ1 LYS 59 HZ1 LYS 59 17.225 -1.025 0.061 444 HZ2 LYS 59 HZ2 LYS 59 15.922 -1.987 -0.110 445 H LYS 60 HN LYS 60 10.778 2.567 -3.501 446 HA LYS 60 HA LYS 60 11.674 5.331 -3.904 447 HB2 LYS 60 HB2 LYS 60 10.056 3.623 -5.687 448 HB3 LYS 60 HB3 LYS 60 9.355 5.195 -5.363 449 HG2 LYS 60 HG2 LYS 60 12.285 5.234 -5.922 450 HG3 LYS 60 HG3 LYS 60 11.293 4.712 -7.268 451 HD2 LYS 60 HD2 LYS 60 10.216 6.774 -7.469 452 HD3 LYS 60 HD3 LYS 60 10.373 7.149 -5.765 453 HE2 LYS 60 HE2 LYS 60 11.889 8.632 -6.892 454 HE3 LYS 60 HE3 LYS 60 12.897 7.405 -6.152 455 HZ1 LYS 60 HZ1 LYS 60 11.992 7.268 -8.977 456 HZ2 LYS 60 HZ2 LYS 60 13.443 7.853 -8.526 457 H GLY 61 HN GLY 61 9.060 3.047 -2.921 458 HA2 GLY 61 HA1 GLY 61 7.480 5.082 -1.677 459 HA3 GLY 61 HA2 GLY 61 7.278 3.346 -1.559 460 HA PRO 62 HA PRO 62 8.957 5.003 2.474 461 HB2 PRO 62 HB2 PRO 62 6.829 4.484 4.060 462 HB3 PRO 62 HB3 PRO 62 6.836 5.906 2.966 463 HG2 PRO 62 HG2 PRO 62 5.241 3.172 2.148 464 HG3 PRO 62 HG3 PRO 62 5.067 4.935 2.432 465 HD2 PRO 62 HD2 PRO 62 5.957 3.625 0.029 466 HD3 PRO 62 HD3 PRO 62 6.071 5.374 0.390 467 H THR 63 HN THR 63 10.187 3.589 3.747 468 HA THR 63 HA THR 63 9.222 0.824 3.931 469 HB THR 63 HB THR 63 11.856 0.366 3.634 470 HG1 THR 63 HG1 THR 63 11.176 2.809 2.152 471 HG21 THR 63 HG21 THR 63 9.601 0.435 1.780 472 HG22 THR 63 HG22 THR 63 11.088 0.948 0.946 473 HG23 THR 63 HG23 THR 63 11.024 -0.635 1.757 474 H LYS 64 HN LYS 64 9.213 3.255 5.730 475 HA LYS 64 HA LYS 64 10.626 1.930 7.925 476 HB2 LYS 64 HB2 LYS 64 11.429 4.365 6.752 477 HB3 LYS 64 HB3 LYS 64 10.632 4.808 8.247 478 HG2 LYS 64 HG2 LYS 64 12.803 2.669 8.038 479 HG3 LYS 64 HG3 LYS 64 13.106 4.331 8.505 480 HD2 LYS 64 HD2 LYS 64 11.076 3.729 10.243 481 HD3 LYS 64 HD3 LYS 64 11.778 2.135 10.047 482 HE2 LYS 64 HE2 LYS 64 13.069 2.962 11.815 483 HE3 LYS 64 HE3 LYS 64 14.082 3.387 10.450 484 HZ1 LYS 64 HZ1 LYS 64 13.915 5.485 11.214 485 HZ2 LYS 64 HZ2 LYS 64 12.369 5.514 10.704 486 H CYS 65 HN CYS 65 9.674 2.366 10.053 487 HA CYS 65 HA CYS 65 6.922 2.173 10.002 488 HB2 CYS 65 HB2 CYS 65 8.367 3.207 12.418 489 HB3 CYS 65 HB3 CYS 65 6.997 2.118 12.323 490 H GLY 66 HN GLY 66 9.150 4.965 10.544 491 HA2 GLY 66 HA1 GLY 66 6.944 6.808 10.934 492 HA3 GLY 66 HA2 GLY 66 8.660 7.165 10.952 493 H GLU 67 HN GLU 67 7.683 5.194 8.260 494 HA GLU 67 HA GLU 67 7.709 7.591 6.596 495 HB2 GLU 67 HB2 GLU 67 9.366 5.267 6.521 496 HB3 GLU 67 HB3 GLU 67 8.328 5.172 5.112 497 HG2 GLU 67 HG2 GLU 67 8.964 7.747 4.834 498 HG3 GLU 67 HG3 GLU 67 10.326 7.323 5.852 499 HE2 GLU 67 HE2 GLU 67 11.988 5.455 3.931 500 H CYS 68 HN CYS 68 5.702 5.276 7.901 501 HA CYS 68 HA CYS 68 3.913 5.472 5.596 502 HB2 CYS 68 HB2 CYS 68 4.964 3.043 6.820 503 HB3 CYS 68 HB3 CYS 68 3.214 3.088 6.892 504 H HIS 69 HN HIS 69 4.073 4.389 9.077 505 HA HIS 69 HA HIS 69 1.436 5.293 9.574 506 HB2 HIS 69 HB2 HIS 69 3.651 4.439 11.458 507 HB3 HIS 69 HB3 HIS 69 1.992 4.737 11.936 508 HD1 HIS 69 HD1 HIS 69 0.141 3.111 10.709 509 HD2 HIS 69 HD2 HIS 69 4.148 1.876 10.597 510 HE1 HIS 69 HE1 HIS 69 0.106 0.624 10.141 511 H LYS 70 HN LYS 70 0.939 7.434 9.503 512 HA LYS 70 HA LYS 70 2.697 9.212 11.032 513 HB2 LYS 70 HB2 LYS 70 1.435 9.971 8.386 514 HB3 LYS 70 HB3 LYS 70 2.551 10.919 9.349 515 HG2 LYS 70 HG2 LYS 70 4.401 9.581 8.790 516 HG3 LYS 70 HG3 LYS 70 3.420 8.162 8.480 517 HD2 LYS 70 HD2 LYS 70 2.831 8.857 6.320 518 HD3 LYS 70 HD3 LYS 70 3.005 10.559 6.700 519 HE2 LYS 70 HE2 LYS 70 5.596 9.467 7.082 520 HE3 LYS 70 HE3 LYS 70 4.996 8.693 5.629 521 HZ1 LYS 70 HZ1 LYS 70 4.638 11.597 5.895 522 HZ2 LYS 70 HZ2 LYS 70 6.115 11.040 5.498 523 H LYS 71 HN LYS 71 1.486 9.650 12.810 524 HA LYS 71 HA LYS 71 -1.254 9.465 12.958 525 HB2 LYS 71 HB2 LYS 71 0.581 9.674 14.791 526 HB3 LYS 71 HB3 LYS 71 0.330 11.401 14.638 527 HG2 LYS 71 HG2 LYS 71 -2.273 10.202 14.744 528 HG3 LYS 71 HG3 LYS 71 -1.321 9.443 16.005 529 HD2 LYS 71 HD2 LYS 71 -0.622 11.771 16.778 530 HD3 LYS 71 HD3 LYS 71 -1.745 12.442 15.612 531 HE2 LYS 71 HE2 LYS 71 -3.651 11.418 16.720 532 HE3 LYS 71 HE3 LYS 71 -2.617 10.428 17.730 533 HZ1 LYS 71 HZ1 LYS 71 -1.960 12.302 18.973 534 HZ2 LYS 71 HZ2 LYS 71 -2.450 13.378 17.854 Start of MODEL 12 1 H1 ALA 1 HN ALA 1 -13.091 11.730 -2.904 2 HA ALA 1 HA ALA 1 -10.887 11.510 -4.160 3 HB1 ALA 1 HB1 ALA 1 -9.834 12.241 -2.271 4 HB2 ALA 1 HB2 ALA 1 -11.488 12.252 -1.613 5 HB3 ALA 1 HB3 ALA 1 -10.412 10.872 -1.291 6 H ASP 2 HN ASP 2 -8.978 10.166 -4.370 7 HA ASP 2 HA ASP 2 -9.697 7.428 -4.517 8 HB2 ASP 2 HB2 ASP 2 -7.911 9.093 -5.844 9 HB3 ASP 2 HB3 ASP 2 -6.830 8.164 -4.825 10 HD2 ASP 2 HD2 ASP 2 -9.208 5.761 -5.937 11 H ASP 3 HN ASP 3 -7.724 9.592 -2.455 12 HA ASP 3 HA ASP 3 -6.020 8.048 -1.200 13 HB2 ASP 3 HB2 ASP 3 -6.464 10.390 -0.569 14 HB3 ASP 3 HB3 ASP 3 -8.022 9.950 0.102 15 HD2 ASP 3 HD2 ASP 3 -7.216 10.883 2.106 16 H ILE 4 HN ILE 4 -6.251 5.927 -0.465 17 HA ILE 4 HA ILE 4 -8.814 5.215 0.767 18 HB ILE 4 HB ILE 4 -6.847 3.785 -0.927 19 HG12 ILE 4 HG12 ILE 4 -9.861 3.666 -0.614 20 HG13 ILE 4 HG13 ILE 4 -8.981 4.569 -1.831 21 HG21 ILE 4 HG21 ILE 4 -6.537 2.233 0.706 22 HG22 ILE 4 HG22 ILE 4 -8.077 2.605 1.517 23 HG23 ILE 4 HG23 ILE 4 -8.067 1.622 0.033 24 HD11 ILE 4 HD11 ILE 4 -7.962 1.911 -1.963 25 HD12 ILE 4 HD12 ILE 4 -9.732 1.766 -1.839 26 HD13 ILE 4 HD13 ILE 4 -9.007 2.730 -3.148 27 H VAL 5 HN VAL 5 -8.391 6.099 2.845 28 HA VAL 5 HA VAL 5 -5.987 5.516 4.219 29 HB VAL 5 HB VAL 5 -8.670 6.351 5.332 30 HG11 VAL 5 HG11 VAL 5 -5.831 6.480 6.358 31 HG12 VAL 5 HG12 VAL 5 -7.102 7.560 6.978 32 HG13 VAL 5 HG13 VAL 5 -7.275 5.796 7.142 33 HG21 VAL 5 HG21 VAL 5 -6.657 7.842 3.721 34 HG22 VAL 5 HG22 VAL 5 -8.417 8.071 3.861 35 HG23 VAL 5 HG23 VAL 5 -7.335 8.679 5.138 36 H LEU 6 HN LEU 6 -5.381 3.696 5.280 37 HA LEU 6 HA LEU 6 -7.309 1.543 5.410 38 HB2 LEU 6 HB2 LEU 6 -4.338 1.737 5.879 39 HB3 LEU 6 HB3 LEU 6 -5.256 0.285 6.225 40 HG LEU 6 HG LEU 6 -5.241 1.581 3.493 41 HD11 LEU 6 HD11 LEU 6 -3.272 0.684 2.939 42 HD12 LEU 6 HD12 LEU 6 -2.984 0.559 4.691 43 HD13 LEU 6 HD13 LEU 6 -3.618 -0.840 3.791 44 HD21 LEU 6 HD21 LEU 6 -6.830 0.082 3.090 45 HD22 LEU 6 HD22 LEU 6 -5.598 -1.186 3.295 46 HD23 LEU 6 HD23 LEU 6 -6.599 -0.686 4.679 47 H LYS 7 HN LYS 7 -6.567 0.123 7.654 48 HA LYS 7 HA LYS 7 -7.325 1.995 9.786 49 HB2 LYS 7 HB2 LYS 7 -8.362 0.004 10.872 50 HB3 LYS 7 HB3 LYS 7 -9.120 0.477 9.364 51 HG2 LYS 7 HG2 LYS 7 -8.420 -1.425 8.247 52 HG3 LYS 7 HG3 LYS 7 -6.892 -1.501 9.103 53 HD2 LYS 7 HD2 LYS 7 -9.271 -1.961 10.831 54 HD3 LYS 7 HD3 LYS 7 -9.061 -3.164 9.574 55 HE2 LYS 7 HE2 LYS 7 -7.740 -4.077 11.278 56 HE3 LYS 7 HE3 LYS 7 -6.534 -3.187 10.372 57 HZ1 LYS 7 HZ1 LYS 7 -6.226 -2.520 12.590 58 HZ2 LYS 7 HZ2 LYS 7 -7.084 -1.278 11.978 59 H ALA 8 HN ALA 8 -5.762 2.423 11.239 60 HA ALA 8 HA ALA 8 -4.160 0.330 12.298 61 HB1 ALA 8 HB1 ALA 8 -2.564 2.448 10.861 62 HB2 ALA 8 HB2 ALA 8 -2.069 0.820 11.383 63 HB3 ALA 8 HB3 ALA 8 -3.137 1.016 9.972 64 H LYS 9 HN LYS 9 -4.505 0.907 14.395 65 HA LYS 9 HA LYS 9 -4.908 3.590 15.166 66 HB2 LYS 9 HB2 LYS 9 -4.736 0.934 16.495 67 HB3 LYS 9 HB3 LYS 9 -4.407 2.330 17.501 68 HG2 LYS 9 HG2 LYS 9 -6.691 2.995 15.896 69 HG3 LYS 9 HG3 LYS 9 -6.961 1.375 16.506 70 HD2 LYS 9 HD2 LYS 9 -7.731 2.479 18.366 71 HD3 LYS 9 HD3 LYS 9 -6.032 2.546 18.789 72 HE2 LYS 9 HE2 LYS 9 -6.299 4.809 18.874 73 HE3 LYS 9 HE3 LYS 9 -6.287 4.760 17.122 74 HZ1 LYS 9 HZ1 LYS 9 -8.876 4.106 18.067 75 HZ2 LYS 9 HZ2 LYS 9 -8.413 5.514 18.741 76 H ASN 10 HN ASN 10 -2.108 1.886 14.248 77 HA ASN 10 HA ASN 10 -0.386 3.228 16.093 78 HB2 ASN 10 HB2 ASN 10 0.215 1.539 13.607 79 HB3 ASN 10 HB3 ASN 10 1.435 2.113 14.727 80 HD21 ASN 10 HD21 ASN 10 2.006 0.825 16.300 81 HD22 ASN 10 HD22 ASN 10 1.102 -0.501 16.952 82 H GLY 11 HN GLY 11 -2.160 4.193 13.450 83 HA2 GLY 11 HA1 GLY 11 -1.659 6.552 12.839 84 HA3 GLY 11 HA2 GLY 11 -0.049 5.997 12.426 85 H ASP 12 HN ASP 12 -3.199 6.577 11.247 86 HA ASP 12 HA ASP 12 -3.765 4.676 9.481 87 HB2 ASP 12 HB2 ASP 12 -4.158 7.583 9.661 88 HB3 ASP 12 HB3 ASP 12 -4.082 7.063 7.989 89 HD2 ASP 12 HD2 ASP 12 -7.213 7.160 9.894 90 H VAL 13 HN VAL 13 -3.255 4.370 7.130 91 HA VAL 13 HA VAL 13 -0.625 5.470 6.416 92 HB VAL 13 HB VAL 13 -1.728 2.729 5.771 93 HG11 VAL 13 HG11 VAL 13 -0.187 2.774 4.148 94 HG12 VAL 13 HG12 VAL 13 0.528 4.285 4.761 95 HG13 VAL 13 HG13 VAL 13 1.036 2.720 5.440 96 HG21 VAL 13 HG21 VAL 13 0.380 2.162 7.305 97 HG22 VAL 13 HG22 VAL 13 -0.038 3.738 8.020 98 HG23 VAL 13 HG23 VAL 13 -1.242 2.428 7.988 99 H LYS 14 HN LYS 14 -1.599 7.235 5.284 100 HA LYS 14 HA LYS 14 -3.671 6.910 3.445 101 HB2 LYS 14 HB2 LYS 14 -3.247 9.076 4.284 102 HB3 LYS 14 HB3 LYS 14 -1.547 9.013 3.862 103 HG2 LYS 14 HG2 LYS 14 -2.821 8.569 1.403 104 HG3 LYS 14 HG3 LYS 14 -3.871 9.735 2.184 105 HD2 LYS 14 HD2 LYS 14 -2.406 11.376 1.645 106 HD3 LYS 14 HD3 LYS 14 -1.223 10.640 2.707 107 HE2 LYS 14 HE2 LYS 14 -1.009 9.000 0.498 108 HE3 LYS 14 HE3 LYS 14 -1.437 10.517 -0.268 109 HZ1 LYS 14 HZ1 LYS 14 0.584 11.361 0.220 110 HZ2 LYS 14 HZ2 LYS 14 0.560 10.855 1.768 111 H LEU 15 HN LEU 15 -3.681 5.651 1.667 112 HA LEU 15 HA LEU 15 -1.123 5.315 0.273 113 HB2 LEU 15 HB2 LEU 15 -1.804 3.214 0.926 114 HB3 LEU 15 HB3 LEU 15 -3.506 3.564 0.697 115 HG LEU 15 HG LEU 15 -2.709 3.752 -1.864 116 HD11 LEU 15 HD11 LEU 15 -0.350 2.967 -0.743 117 HD12 LEU 15 HD12 LEU 15 -1.051 1.403 -1.224 118 HD13 LEU 15 HD13 LEU 15 -0.821 2.685 -2.437 119 HD21 LEU 15 HD21 LEU 15 -3.984 1.764 -0.201 120 HD22 LEU 15 HD22 LEU 15 -4.312 2.217 -1.891 121 HD23 LEU 15 HD23 LEU 15 -3.076 0.990 -1.522 122 HA PRO 16 HA PRO 16 -2.945 8.251 -2.559 123 HB2 PRO 16 HB2 PRO 16 -0.335 7.696 -3.940 124 HB3 PRO 16 HB3 PRO 16 -1.056 9.240 -3.381 125 HG2 PRO 16 HG2 PRO 16 1.071 8.133 -1.978 126 HG3 PRO 16 HG3 PRO 16 -0.365 9.060 -1.433 127 HD2 PRO 16 HD2 PRO 16 0.112 6.028 -1.464 128 HD3 PRO 16 HD3 PRO 16 -0.454 7.050 -0.109 129 H HIS 17 HN HIS 17 -4.299 5.980 -2.853 130 HA HIS 17 HA HIS 17 -3.691 4.093 -4.626 131 HB2 HIS 17 HB2 HIS 17 -5.839 4.431 -3.344 132 HB3 HIS 17 HB3 HIS 17 -6.357 5.529 -4.607 133 HD1 HIS 17 HD1 HIS 17 -7.576 4.495 -6.541 134 HD2 HIS 17 HD2 HIS 17 -5.288 1.692 -4.419 135 HE1 HIS 17 HE1 HIS 17 -8.114 2.217 -7.557 136 H LYS 18 HN LYS 18 -5.072 7.334 -5.522 137 HA LYS 18 HA LYS 18 -5.045 6.968 -8.247 138 HB2 LYS 18 HB2 LYS 18 -6.143 8.827 -7.048 139 HB3 LYS 18 HB3 LYS 18 -4.578 9.527 -6.688 140 HG2 LYS 18 HG2 LYS 18 -5.485 10.642 -8.660 141 HG3 LYS 18 HG3 LYS 18 -4.101 9.686 -9.153 142 HD2 LYS 18 HD2 LYS 18 -6.661 8.186 -9.246 143 HD3 LYS 18 HD3 LYS 18 -6.630 9.575 -10.314 144 HE2 LYS 18 HE2 LYS 18 -4.484 8.766 -11.312 145 HE3 LYS 18 HE3 LYS 18 -4.501 7.382 -10.237 146 HZ1 LYS 18 HZ1 LYS 18 -5.922 7.721 -12.670 147 HZ2 LYS 18 HZ2 LYS 18 -5.757 6.367 -11.781 148 H ALA 19 HN ALA 19 -2.458 8.446 -6.166 149 HA ALA 19 HA ALA 19 -0.625 8.858 -8.182 150 HB1 ALA 19 HB1 ALA 19 -0.771 9.100 -5.385 151 HB2 ALA 19 HB2 ALA 19 0.614 8.021 -5.678 152 HB3 ALA 19 HB3 ALA 19 0.564 9.631 -6.435 153 H HIS 20 HN HIS 20 -1.078 5.964 -6.038 154 HA HIS 20 HA HIS 20 0.989 4.501 -7.214 155 HB2 HIS 20 HB2 HIS 20 -1.386 3.848 -5.498 156 HB3 HIS 20 HB3 HIS 20 -0.461 2.543 -6.213 157 HD1 HIS 20 HD1 HIS 20 -0.064 5.467 -3.812 158 HD2 HIS 20 HD2 HIS 20 1.967 1.987 -4.976 159 HE1 HIS 20 HE1 HIS 20 1.857 5.173 -2.158 160 H GLN 21 HN GLN 21 -2.281 5.265 -8.233 161 HA GLN 21 HA GLN 21 -2.490 3.041 -9.981 162 HB2 GLN 21 HB2 GLN 21 -4.098 5.549 -9.473 163 HB3 GLN 21 HB3 GLN 21 -4.424 4.604 -10.913 164 HG2 GLN 21 HG2 GLN 21 -4.949 2.626 -9.613 165 HG3 GLN 21 HG3 GLN 21 -4.312 3.337 -8.143 166 HE21 GLN 21 HE21 GLN 21 -7.044 2.642 -9.838 167 HE22 GLN 21 HE22 GLN 21 -8.172 3.749 -9.129 168 H LYS 22 HN LYS 22 -0.606 5.843 -10.011 169 HA LYS 22 HA LYS 22 -0.624 5.933 -12.946 170 HB2 LYS 22 HB2 LYS 22 -1.268 8.045 -11.875 171 HB3 LYS 22 HB3 LYS 22 0.219 8.053 -10.948 172 HG2 LYS 22 HG2 LYS 22 0.512 7.746 -13.919 173 HG3 LYS 22 HG3 LYS 22 -0.046 9.309 -13.354 174 HD2 LYS 22 HD2 LYS 22 1.925 9.681 -12.051 175 HD3 LYS 22 HD3 LYS 22 2.369 7.986 -12.071 176 HE2 LYS 22 HE2 LYS 22 2.451 8.380 -14.727 177 HE3 LYS 22 HE3 LYS 22 2.671 10.053 -14.253 178 HZ1 LYS 22 HZ1 LYS 22 4.408 8.772 -12.626 179 HZ2 LYS 22 HZ2 LYS 22 4.506 7.842 -13.959 180 H ALA 23 HN ALA 23 1.363 5.694 -9.963 181 HA ALA 23 HA ALA 23 3.821 5.541 -11.376 182 HB1 ALA 23 HB1 ALA 23 2.823 5.379 -8.596 183 HB2 ALA 23 HB2 ALA 23 4.262 4.381 -8.918 184 HB3 ALA 23 HB3 ALA 23 4.303 6.132 -9.239 185 H VAL 24 HN VAL 24 1.321 3.232 -10.292 186 HA VAL 24 HA VAL 24 2.969 1.074 -11.413 187 HB VAL 24 HB VAL 24 0.849 1.116 -9.267 188 HG11 VAL 24 HG11 VAL 24 1.464 -1.010 -11.134 189 HG12 VAL 24 HG12 VAL 24 1.880 -1.495 -9.473 190 HG13 VAL 24 HG13 VAL 24 0.230 -0.947 -9.853 191 HG21 VAL 24 HG21 VAL 24 2.776 -0.133 -8.060 192 HG22 VAL 24 HG22 VAL 24 3.806 0.528 -9.352 193 HG23 VAL 24 HG23 VAL 24 2.905 1.629 -8.282 194 HA PRO 25 HA PRO 25 -0.322 1.735 -14.490 195 HB2 PRO 25 HB2 PRO 25 1.250 1.160 -16.652 196 HB3 PRO 25 HB3 PRO 25 1.321 2.743 -15.811 197 HG2 PRO 25 HG2 PRO 25 2.978 0.438 -15.528 198 HG3 PRO 25 HG3 PRO 25 3.630 2.102 -15.677 199 HD2 PRO 25 HD2 PRO 25 3.471 0.878 -13.260 200 HD3 PRO 25 HD3 PRO 25 3.032 2.606 -13.417 201 H ASP 26 HN ASP 26 -0.477 -0.510 -12.844 202 HA ASP 26 HA ASP 26 -1.152 -2.464 -14.761 203 HB2 ASP 26 HB2 ASP 26 0.897 -3.347 -12.697 204 HB3 ASP 26 HB3 ASP 26 0.329 -4.238 -14.095 205 HD2 ASP 26 HD2 ASP 26 1.383 -3.872 -15.994 206 H CYS 27 HN CYS 27 -3.224 -2.133 -13.661 207 HA CYS 27 HA CYS 27 -3.435 -2.344 -10.857 208 HB2 CYS 27 HB2 CYS 27 -5.766 -2.857 -12.656 209 HB3 CYS 27 HB3 CYS 27 -5.694 -1.996 -11.131 210 H LYS 28 HN LYS 28 -1.931 -4.445 -11.100 211 HA LYS 28 HA LYS 28 -3.740 -6.689 -10.795 212 HB2 LYS 28 HB2 LYS 28 -1.948 -8.011 -12.240 213 HB3 LYS 28 HB3 LYS 28 -3.357 -7.261 -12.962 214 HG2 LYS 28 HG2 LYS 28 -1.975 -5.199 -13.434 215 HG3 LYS 28 HG3 LYS 28 -0.570 -6.021 -12.788 216 HD2 LYS 28 HD2 LYS 28 -1.635 -7.859 -14.645 217 HD3 LYS 28 HD3 LYS 28 -1.843 -6.304 -15.425 218 HE2 LYS 28 HE2 LYS 28 0.357 -6.304 -15.970 219 HE3 LYS 28 HE3 LYS 28 0.765 -6.242 -14.267 220 HZ1 LYS 28 HZ1 LYS 28 1.150 -8.389 -16.001 221 HZ2 LYS 28 HZ2 LYS 28 1.473 -8.354 -14.406 222 H LYS 29 HN LYS 29 -0.268 -5.626 -10.903 223 HA LYS 29 HA LYS 29 0.703 -7.507 -9.144 224 HB2 LYS 29 HB2 LYS 29 1.643 -4.644 -9.491 225 HB3 LYS 29 HB3 LYS 29 2.578 -5.972 -8.832 226 HG2 LYS 29 HG2 LYS 29 1.345 -6.401 -11.540 227 HG3 LYS 29 HG3 LYS 29 2.676 -5.264 -11.452 228 HD2 LYS 29 HD2 LYS 29 3.572 -7.428 -9.899 229 HD3 LYS 29 HD3 LYS 29 2.708 -8.205 -11.211 230 HE2 LYS 29 HE2 LYS 29 4.501 -7.851 -12.554 231 HE3 LYS 29 HE3 LYS 29 4.213 -6.126 -12.440 232 HZ1 LYS 29 HZ1 LYS 29 5.515 -6.273 -10.261 233 HZ2 LYS 29 HZ2 LYS 29 5.995 -7.756 -10.731 234 H CYS 30 HN CYS 30 -1.443 -4.808 -8.586 235 HA CYS 30 HA CYS 30 -0.934 -5.006 -5.716 236 HB2 CYS 30 HB2 CYS 30 -1.672 -2.801 -7.491 237 HB3 CYS 30 HB3 CYS 30 -2.752 -2.928 -6.116 238 H HIS 31 HN HIS 31 -3.261 -5.489 -8.371 239 HA HIS 31 HA HIS 31 -5.200 -6.451 -6.396 240 HB2 HIS 31 HB2 HIS 31 -5.561 -5.223 -9.132 241 HB3 HIS 31 HB3 HIS 31 -6.831 -6.151 -8.360 242 HD1 HIS 31 HD1 HIS 31 -7.521 -5.201 -5.835 243 HD2 HIS 31 HD2 HIS 31 -5.553 -2.572 -8.445 244 HE1 HIS 31 HE1 HIS 31 -7.960 -2.850 -4.946 245 H GLU 32 HN GLU 32 -4.977 -8.625 -6.163 246 HA GLU 32 HA GLU 32 -3.871 -10.182 -8.233 247 HB2 GLU 32 HB2 GLU 32 -3.513 -10.772 -5.886 248 HB3 GLU 32 HB3 GLU 32 -5.236 -10.931 -5.612 249 HG2 GLU 32 HG2 GLU 32 -4.647 -13.168 -5.945 250 HG3 GLU 32 HG3 GLU 32 -5.116 -12.715 -7.572 251 HE2 GLU 32 HE2 GLU 32 -3.279 -14.568 -8.087 252 H LYS 33 HN LYS 33 -6.725 -11.497 -6.605 253 HA LYS 33 HA LYS 33 -7.873 -12.643 -8.729 254 HB2 LYS 33 HB2 LYS 33 -9.019 -11.471 -6.211 255 HB3 LYS 33 HB3 LYS 33 -10.099 -12.140 -7.418 256 HG2 LYS 33 HG2 LYS 33 -7.950 -14.013 -7.136 257 HG3 LYS 33 HG3 LYS 33 -8.407 -13.541 -5.511 258 HD2 LYS 33 HD2 LYS 33 -10.486 -14.527 -5.656 259 HD3 LYS 33 HD3 LYS 33 -10.707 -14.067 -7.333 260 HE2 LYS 33 HE2 LYS 33 -9.296 -15.894 -8.110 261 HE3 LYS 33 HE3 LYS 33 -8.755 -16.252 -6.482 262 HZ1 LYS 33 HZ1 LYS 33 -11.578 -16.350 -6.556 263 HZ2 LYS 33 HZ2 LYS 33 -11.003 -17.287 -7.757 264 H GLY 34 HN GLY 34 -7.817 -9.183 -7.972 265 HA2 GLY 34 HA1 GLY 34 -8.131 -8.127 -10.375 266 HA3 GLY 34 HA2 GLY 34 -9.789 -8.585 -10.039 267 HA PRO 35 HA PRO 35 -8.708 -4.288 -8.350 268 HB2 PRO 35 HB2 PRO 35 -10.845 -3.066 -9.609 269 HB3 PRO 35 HB3 PRO 35 -9.239 -3.292 -10.374 270 HG2 PRO 35 HG2 PRO 35 -11.487 -4.928 -10.367 271 HG3 PRO 35 HG3 PRO 35 -10.934 -4.685 -12.057 272 HD2 PRO 35 HD2 PRO 35 -10.075 -6.880 -11.171 273 HD3 PRO 35 HD3 PRO 35 -8.711 -5.732 -11.333 274 H GLY 36 HN GLY 36 -9.431 -4.132 -6.229 275 HA2 GLY 36 HA1 GLY 36 -11.727 -3.556 -5.200 276 HA3 GLY 36 HA2 GLY 36 -12.106 -5.209 -5.644 277 H LYS 37 HN LYS 37 -12.428 -5.389 -3.212 278 HA LYS 37 HA LYS 37 -10.465 -5.072 -1.350 279 HB2 LYS 37 HB2 LYS 37 -12.879 -6.790 -1.623 280 HB3 LYS 37 HB3 LYS 37 -11.728 -7.255 -0.386 281 HG2 LYS 37 HG2 LYS 37 -11.776 -4.647 0.203 282 HG3 LYS 37 HG3 LYS 37 -13.317 -4.694 -0.631 283 HD2 LYS 37 HD2 LYS 37 -14.059 -6.562 0.879 284 HD3 LYS 37 HD3 LYS 37 -12.529 -6.471 1.727 285 HE2 LYS 37 HE2 LYS 37 -13.184 -4.648 2.935 286 HE3 LYS 37 HE3 LYS 37 -13.802 -3.825 1.517 287 HZ1 LYS 37 HZ1 LYS 37 -15.607 -5.828 1.911 288 HZ2 LYS 37 HZ2 LYS 37 -15.244 -5.399 3.439 289 H ILE 38 HN ILE 38 -8.816 -6.403 -0.443 290 HA ILE 38 HA ILE 38 -7.920 -8.497 -2.300 291 HB ILE 38 HB ILE 38 -6.240 -6.729 -0.519 292 HG12 ILE 38 HG12 ILE 38 -6.484 -6.579 -3.531 293 HG13 ILE 38 HG13 ILE 38 -7.432 -5.575 -2.451 294 HG21 ILE 38 HG21 ILE 38 -5.026 -8.695 -0.785 295 HG22 ILE 38 HG22 ILE 38 -5.604 -8.950 -2.449 296 HG23 ILE 38 HG23 ILE 38 -4.425 -7.662 -2.103 297 HD11 ILE 38 HD11 ILE 38 -4.720 -5.437 -1.531 298 HD12 ILE 38 HD12 ILE 38 -4.696 -5.213 -3.297 299 HD13 ILE 38 HD13 ILE 38 -5.690 -4.144 -2.277 300 H GLU 39 HN GLU 39 -7.475 -10.525 -1.487 301 HA GLU 39 HA GLU 39 -8.188 -10.844 1.309 302 HB2 GLU 39 HB2 GLU 39 -8.602 -12.414 -1.139 303 HB3 GLU 39 HB3 GLU 39 -7.936 -13.397 0.150 304 HG2 GLU 39 HG2 GLU 39 -10.090 -13.564 0.887 305 HG3 GLU 39 HG3 GLU 39 -9.847 -11.953 1.530 306 HE2 GLU 39 HE2 GLU 39 -11.959 -13.446 -0.975 307 H GLY 40 HN GLY 40 -6.619 -11.255 2.809 308 HA2 GLY 40 HA1 GLY 40 -4.756 -12.717 3.379 309 HA3 GLY 40 HA2 GLY 40 -4.052 -12.344 1.819 310 H PHE 41 HN PHE 41 -4.786 -9.477 1.816 311 HA PHE 41 HA PHE 41 -2.539 -8.530 3.259 312 HB2 PHE 41 HB2 PHE 41 -3.537 -7.686 1.039 313 HB3 PHE 41 HB3 PHE 41 -4.912 -7.080 1.941 314 HD1 PHE 41 HD1 PHE 41 -4.446 -5.327 3.763 315 HD2 PHE 41 HD2 PHE 41 -1.633 -6.359 0.758 316 HE1 PHE 41 HE1 PHE 41 -3.237 -3.162 4.151 317 HE2 PHE 41 HE2 PHE 41 -0.424 -4.194 1.146 318 HZ PHE 41 HZ PHE 41 -1.240 -2.621 2.838 319 H GLY 42 HN GLY 42 -2.657 -8.577 5.488 320 HA2 GLY 42 HA1 GLY 42 -4.918 -7.096 6.684 321 HA3 GLY 42 HA2 GLY 42 -4.358 -8.619 7.345 322 H LYS 43 HN LYS 43 -1.470 -7.981 6.580 323 HA LYS 43 HA LYS 43 -0.684 -5.608 7.811 324 HB2 LYS 43 HB2 LYS 43 -1.594 -6.560 9.861 325 HB3 LYS 43 HB3 LYS 43 -0.654 -8.022 9.645 326 HG2 LYS 43 HG2 LYS 43 1.010 -5.582 9.519 327 HG3 LYS 43 HG3 LYS 43 0.161 -5.734 11.044 328 HD2 LYS 43 HD2 LYS 43 1.009 -8.247 10.963 329 HD3 LYS 43 HD3 LYS 43 2.171 -7.634 9.804 330 HE2 LYS 43 HE2 LYS 43 3.401 -7.236 11.719 331 HE3 LYS 43 HE3 LYS 43 2.498 -5.734 11.702 332 HZ1 LYS 43 HZ1 LYS 43 2.207 -6.635 13.854 333 HZ2 LYS 43 HZ2 LYS 43 0.798 -6.979 13.113 334 H GLU 44 HN GLU 44 0.579 -8.978 8.245 335 HA GLU 44 HA GLU 44 3.114 -8.561 7.701 336 HB2 GLU 44 HB2 GLU 44 2.617 -10.781 8.189 337 HB3 GLU 44 HB3 GLU 44 1.272 -10.847 7.069 338 HG2 GLU 44 HG2 GLU 44 3.062 -12.198 6.141 339 HG3 GLU 44 HG3 GLU 44 2.919 -10.760 5.149 340 HE2 GLU 44 HE2 GLU 44 5.046 -10.958 4.574 341 H MET 45 HN MET 45 0.552 -8.992 5.177 342 HA MET 45 HA MET 45 2.141 -8.971 2.979 343 HB2 MET 45 HB2 MET 45 -0.639 -7.818 3.527 344 HB3 MET 45 HB3 MET 45 0.037 -7.813 1.910 345 HG2 MET 45 HG2 MET 45 -0.394 -10.296 3.644 346 HG3 MET 45 HG3 MET 45 -1.392 -9.819 2.285 347 HE1 MET 45 HE1 MET 45 -1.118 -12.112 1.541 348 HE2 MET 45 HE2 MET 45 0.244 -12.728 0.573 349 HE3 MET 45 HE3 MET 45 0.298 -12.827 2.350 350 H ALA 46 HN ALA 46 0.528 -6.072 4.485 351 HA ALA 46 HA ALA 46 1.662 -4.183 2.822 352 HB1 ALA 46 HB1 ALA 46 0.933 -3.917 5.767 353 HB2 ALA 46 HB2 ALA 46 1.041 -2.598 4.577 354 HB3 ALA 46 HB3 ALA 46 -0.225 -3.839 4.418 355 H HIS 47 HN HIS 47 2.910 -5.735 5.822 356 HA HIS 47 HA HIS 47 5.258 -4.087 5.775 357 HB2 HIS 47 HB2 HIS 47 4.529 -6.489 7.475 358 HB3 HIS 47 HB3 HIS 47 5.935 -5.471 7.714 359 HD1 HIS 47 HD1 HIS 47 3.091 -5.955 9.466 360 HD2 HIS 47 HD2 HIS 47 4.527 -2.505 7.559 361 HE1 HIS 47 HE1 HIS 47 1.952 -3.978 10.611 362 H GLY 48 HN GLY 48 4.306 -6.245 3.616 363 HA2 GLY 48 HA1 GLY 48 7.017 -7.094 3.018 364 HA3 GLY 48 HA2 GLY 48 5.889 -8.387 3.376 365 H LYS 49 HN LYS 49 5.386 -9.325 1.428 366 HA LYS 49 HA LYS 49 5.324 -7.895 -0.985 367 HB2 LYS 49 HB2 LYS 49 4.627 -9.940 -1.969 368 HB3 LYS 49 HB3 LYS 49 5.752 -10.352 -0.690 369 HG2 LYS 49 HG2 LYS 49 3.471 -10.458 0.763 370 HG3 LYS 49 HG3 LYS 49 2.773 -10.775 -0.813 371 HD2 LYS 49 HD2 LYS 49 3.331 -12.952 -0.343 372 HD3 LYS 49 HD3 LYS 49 4.911 -12.471 -0.931 373 HE2 LYS 49 HE2 LYS 49 5.365 -13.498 1.169 374 HE3 LYS 49 HE3 LYS 49 5.451 -11.782 1.509 375 HZ1 LYS 49 HZ1 LYS 49 3.896 -12.186 3.066 376 HZ2 LYS 49 HZ2 LYS 49 2.804 -12.427 1.883 377 H GLY 50 HN GLY 50 4.017 -6.005 -0.296 378 HA2 GLY 50 HA1 GLY 50 1.317 -6.297 -1.167 379 HA3 GLY 50 HA2 GLY 50 1.405 -6.083 0.570 380 H CYS 51 HN CYS 51 3.526 -4.338 0.959 381 HA CYS 51 HA CYS 51 2.934 -2.069 -0.778 382 HB2 CYS 51 HB2 CYS 51 3.010 -1.872 2.238 383 HB3 CYS 51 HB3 CYS 51 2.728 -0.567 1.103 384 H LYS 52 HN LYS 52 4.891 -3.298 2.038 385 HA LYS 52 HA LYS 52 7.102 -1.643 1.451 386 HB2 LYS 52 HB2 LYS 52 6.271 -3.379 3.526 387 HB3 LYS 52 HB3 LYS 52 7.808 -4.001 2.961 388 HG2 LYS 52 HG2 LYS 52 7.502 -1.022 3.410 389 HG3 LYS 52 HG3 LYS 52 7.725 -2.072 4.795 390 HD2 LYS 52 HD2 LYS 52 9.584 -2.292 2.404 391 HD3 LYS 52 HD3 LYS 52 9.841 -1.041 3.605 392 HE2 LYS 52 HE2 LYS 52 11.069 -2.655 4.678 393 HE3 LYS 52 HE3 LYS 52 9.509 -3.202 5.258 394 HZ1 LYS 52 HZ1 LYS 52 10.981 -4.918 4.107 395 HZ2 LYS 52 HZ2 LYS 52 9.433 -4.869 3.603 396 H GLY 53 HN GLY 53 6.395 -5.153 0.868 397 HA2 GLY 53 HA1 GLY 53 8.620 -6.102 -0.229 398 HA3 GLY 53 HA2 GLY 53 7.038 -6.422 -0.912 399 H CYS 54 HN CYS 54 6.279 -3.942 -1.981 400 HA CYS 54 HA CYS 54 7.897 -3.911 -4.313 401 HB2 CYS 54 HB2 CYS 54 5.405 -3.615 -4.300 402 HB3 CYS 54 HB3 CYS 54 5.627 -2.040 -3.564 403 H HIS 55 HN HIS 55 7.251 -1.732 -1.498 404 HA HIS 55 HA HIS 55 8.730 0.430 -2.374 405 HB2 HIS 55 HB2 HIS 55 8.149 -0.572 0.424 406 HB3 HIS 55 HB3 HIS 55 8.879 0.982 0.078 407 HD1 HIS 55 HD1 HIS 55 6.139 0.786 1.524 408 HD2 HIS 55 HD2 HIS 55 6.597 1.288 -2.615 409 HE1 HIS 55 HE1 HIS 55 3.971 1.839 0.688 410 H GLU 56 HN GLU 56 9.713 -2.482 -0.467 411 HA GLU 56 HA GLU 56 12.394 -1.571 -0.315 412 HB2 GLU 56 HB2 GLU 56 12.721 -4.041 0.490 413 HB3 GLU 56 HB3 GLU 56 11.794 -2.941 1.491 414 HG2 GLU 56 HG2 GLU 56 9.825 -4.067 1.141 415 HG3 GLU 56 HG3 GLU 56 10.158 -4.331 -0.559 416 HE2 GLU 56 HE2 GLU 56 10.513 -6.671 2.359 417 H GLU 57 HN GLU 57 10.439 -3.431 -2.578 418 HA GLU 57 HA GLU 57 12.665 -4.710 -3.788 419 HB2 GLU 57 HB2 GLU 57 10.558 -5.842 -3.937 420 HB3 GLU 57 HB3 GLU 57 9.732 -4.411 -4.519 421 HG2 GLU 57 HG2 GLU 57 10.103 -5.916 -6.408 422 HG3 GLU 57 HG3 GLU 57 11.101 -4.492 -6.625 423 HE2 GLU 57 HE2 GLU 57 12.948 -5.180 -7.431 424 H MET 58 HN MET 58 10.641 -1.798 -4.402 425 HA MET 58 HA MET 58 12.155 -1.250 -6.789 426 HB2 MET 58 HB2 MET 58 9.819 0.130 -5.363 427 HB3 MET 58 HB3 MET 58 10.559 0.801 -6.803 428 HG2 MET 58 HG2 MET 58 10.128 -1.688 -7.752 429 HG3 MET 58 HG3 MET 58 8.890 -1.696 -6.512 430 HE1 MET 58 HE1 MET 58 7.734 -1.287 -10.112 431 HE2 MET 58 HE2 MET 58 9.090 -0.193 -10.480 432 HE3 MET 58 HE3 MET 58 9.387 -1.720 -9.615 433 H LYS 59 HN LYS 59 11.612 0.087 -3.481 434 HA LYS 59 HA LYS 59 12.973 1.298 -2.205 435 HB2 LYS 59 HB2 LYS 59 14.950 1.499 -4.488 436 HB3 LYS 59 HB3 LYS 59 15.253 1.750 -2.781 437 HG2 LYS 59 HG2 LYS 59 14.082 -0.905 -3.554 438 HG3 LYS 59 HG3 LYS 59 15.740 -0.613 -4.040 439 HD2 LYS 59 HD2 LYS 59 14.990 0.077 -1.206 440 HD3 LYS 59 HD3 LYS 59 15.108 -1.623 -1.614 441 HE2 LYS 59 HE2 LYS 59 17.325 -1.247 -1.048 442 HE3 LYS 59 HE3 LYS 59 17.418 -0.838 -2.750 443 HZ1 LYS 59 HZ1 LYS 59 17.987 1.237 -2.160 444 HZ2 LYS 59 HZ2 LYS 59 16.599 1.453 -1.337 445 H LYS 60 HN LYS 60 10.776 2.433 -3.254 446 HA LYS 60 HA LYS 60 11.730 5.130 -3.853 447 HB2 LYS 60 HB2 LYS 60 10.050 3.411 -5.578 448 HB3 LYS 60 HB3 LYS 60 9.434 5.032 -5.326 449 HG2 LYS 60 HG2 LYS 60 11.434 6.050 -6.189 450 HG3 LYS 60 HG3 LYS 60 12.347 4.559 -6.066 451 HD2 LYS 60 HD2 LYS 60 11.694 3.904 -8.139 452 HD3 LYS 60 HD3 LYS 60 10.002 4.113 -7.732 453 HE2 LYS 60 HE2 LYS 60 10.236 6.591 -8.167 454 HE3 LYS 60 HE3 LYS 60 11.899 6.326 -8.652 455 HZ1 LYS 60 HZ1 LYS 60 10.747 6.206 -10.655 456 HZ2 LYS 60 HZ2 LYS 60 10.837 4.624 -10.283 457 H GLY 61 HN GLY 61 9.014 2.961 -2.864 458 HA2 GLY 61 HA1 GLY 61 7.514 5.076 -1.660 459 HA3 GLY 61 HA2 GLY 61 7.234 3.352 -1.526 460 HA PRO 62 HA PRO 62 8.908 4.974 2.519 461 HB2 PRO 62 HB2 PRO 62 6.744 4.454 4.071 462 HB3 PRO 62 HB3 PRO 62 6.803 5.898 3.009 463 HG2 PRO 62 HG2 PRO 62 5.141 3.225 2.136 464 HG3 PRO 62 HG3 PRO 62 5.047 4.991 2.440 465 HD2 PRO 62 HD2 PRO 62 5.917 3.654 0.035 466 HD3 PRO 62 HD3 PRO 62 6.066 5.399 0.402 467 H THR 63 HN THR 63 10.139 3.539 3.759 468 HA THR 63 HA THR 63 9.131 0.788 3.955 469 HB THR 63 HB THR 63 11.752 0.286 3.656 470 HG1 THR 63 HG1 THR 63 11.121 2.775 2.229 471 HG21 THR 63 HG21 THR 63 10.852 1.015 0.981 472 HG22 THR 63 HG22 THR 63 11.060 -0.612 1.673 473 HG23 THR 63 HG23 THR 63 9.514 0.249 1.870 474 H LYS 64 HN LYS 64 9.134 3.206 5.758 475 HA LYS 64 HA LYS 64 10.564 1.882 7.945 476 HB2 LYS 64 HB2 LYS 64 11.367 4.299 6.786 477 HB3 LYS 64 HB3 LYS 64 10.502 4.780 8.231 478 HG2 LYS 64 HG2 LYS 64 11.884 3.212 9.595 479 HG3 LYS 64 HG3 LYS 64 12.733 2.693 8.153 480 HD2 LYS 64 HD2 LYS 64 12.717 5.637 8.489 481 HD3 LYS 64 HD3 LYS 64 13.496 4.801 9.818 482 HE2 LYS 64 HE2 LYS 64 14.593 3.430 7.717 483 HE3 LYS 64 HE3 LYS 64 14.316 4.976 6.940 484 HZ1 LYS 64 HZ1 LYS 64 15.406 5.580 9.409 485 HZ2 LYS 64 HZ2 LYS 64 16.288 4.319 8.877 486 H CYS 65 HN CYS 65 9.588 2.204 10.057 487 HA CYS 65 HA CYS 65 6.845 2.000 10.010 488 HB2 CYS 65 HB2 CYS 65 8.323 2.991 12.431 489 HB3 CYS 65 HB3 CYS 65 6.918 1.946 12.346 490 H GLY 66 HN GLY 66 9.038 4.811 10.589 491 HA2 GLY 66 HA1 GLY 66 6.800 6.615 11.009 492 HA3 GLY 66 HA2 GLY 66 8.510 6.994 11.059 493 H GLU 67 HN GLU 67 7.552 5.072 8.314 494 HA GLU 67 HA GLU 67 7.595 7.504 6.702 495 HB2 GLU 67 HB2 GLU 67 9.269 5.199 6.595 496 HB3 GLU 67 HB3 GLU 67 8.239 5.112 5.179 497 HG2 GLU 67 HG2 GLU 67 8.852 7.701 4.947 498 HG3 GLU 67 HG3 GLU 67 10.217 7.266 5.955 499 HE2 GLU 67 HE2 GLU 67 10.287 6.679 2.181 500 H CYS 68 HN CYS 68 5.568 5.194 7.950 501 HA CYS 68 HA CYS 68 3.807 5.417 5.627 502 HB2 CYS 68 HB2 CYS 68 4.861 2.968 6.793 503 HB3 CYS 68 HB3 CYS 68 3.112 3.004 6.890 504 H HIS 69 HN HIS 69 3.957 4.296 9.096 505 HA HIS 69 HA HIS 69 1.306 5.184 9.581 506 HB2 HIS 69 HB2 HIS 69 3.498 4.280 11.470 507 HB3 HIS 69 HB3 HIS 69 1.833 4.572 11.935 508 HD1 HIS 69 HD1 HIS 69 -0.007 2.982 10.638 509 HD2 HIS 69 HD2 HIS 69 3.997 1.733 10.569 510 HE1 HIS 69 HE1 HIS 69 -0.040 0.507 10.018 511 H LYS 70 HN LYS 70 0.824 7.330 9.546 512 HA LYS 70 HA LYS 70 2.301 9.035 11.351 513 HB2 LYS 70 HB2 LYS 70 3.601 9.247 9.291 514 HB3 LYS 70 HB3 LYS 70 2.154 9.633 8.382 515 HG2 LYS 70 HG2 LYS 70 3.083 11.761 8.858 516 HG3 LYS 70 HG3 LYS 70 1.819 11.594 10.061 517 HD2 LYS 70 HD2 LYS 70 3.431 12.055 11.601 518 HD3 LYS 70 HD3 LYS 70 3.985 10.413 11.346 519 HE2 LYS 70 HE2 LYS 70 5.971 11.384 10.760 520 HE3 LYS 70 HE3 LYS 70 5.194 11.691 9.220 521 HZ1 LYS 70 HZ1 LYS 70 5.676 13.566 11.417 522 HZ2 LYS 70 HZ2 LYS 70 5.811 13.813 9.814 523 H LYS 71 HN LYS 71 0.748 9.937 12.579 524 HA LYS 71 HA LYS 71 -1.938 9.802 12.018 525 HB2 LYS 71 HB2 LYS 71 -0.638 10.326 14.211 526 HB3 LYS 71 HB3 LYS 71 -0.753 12.000 13.705 527 HG2 LYS 71 HG2 LYS 71 -3.351 10.850 13.315 528 HG3 LYS 71 HG3 LYS 71 -2.802 10.316 14.891 529 HD2 LYS 71 HD2 LYS 71 -2.240 12.717 15.463 530 HD3 LYS 71 HD3 LYS 71 -2.902 13.211 13.917 531 HE2 LYS 71 HE2 LYS 71 -4.856 13.443 15.100 532 HE3 LYS 71 HE3 LYS 71 -4.997 11.714 14.855 533 HZ1 LYS 71 HZ1 LYS 71 -3.392 11.968 17.073 534 HZ2 LYS 71 HZ2 LYS 71 -4.522 13.120 17.293 Start of MODEL 13 1 H1 ALA 1 HN ALA 1 -12.826 10.773 -4.873 2 HA ALA 1 HA ALA 1 -10.521 11.689 -4.501 3 HB1 ALA 1 HB1 ALA 1 -10.174 10.798 -1.852 4 HB2 ALA 1 HB2 ALA 1 -10.190 12.484 -2.422 5 HB3 ALA 1 HB3 ALA 1 -11.691 11.729 -1.834 6 H ASP 2 HN ASP 2 -8.719 10.110 -4.287 7 HA ASP 2 HA ASP 2 -9.778 7.457 -4.761 8 HB2 ASP 2 HB2 ASP 2 -7.879 8.976 -6.098 9 HB3 ASP 2 HB3 ASP 2 -6.861 7.958 -5.099 10 HD2 ASP 2 HD2 ASP 2 -6.291 6.065 -6.544 11 H ASP 3 HN ASP 3 -7.638 9.420 -2.674 12 HA ASP 3 HA ASP 3 -6.018 7.780 -1.465 13 HB2 ASP 3 HB2 ASP 3 -7.701 9.167 0.547 14 HB3 ASP 3 HB3 ASP 3 -5.983 9.321 0.241 15 HD2 ASP 3 HD2 ASP 3 -6.330 10.875 -2.563 16 H ILE 4 HN ILE 4 -6.083 6.065 0.115 17 HA ILE 4 HA ILE 4 -8.757 5.205 0.945 18 HB ILE 4 HB ILE 4 -6.773 3.746 -0.691 19 HG12 ILE 4 HG12 ILE 4 -9.784 3.644 -0.362 20 HG13 ILE 4 HG13 ILE 4 -8.891 4.433 -1.647 21 HG21 ILE 4 HG21 ILE 4 -7.919 1.582 0.322 22 HG22 ILE 4 HG22 ILE 4 -6.425 2.264 1.008 23 HG23 ILE 4 HG23 ILE 4 -7.993 2.599 1.780 24 HD11 ILE 4 HD11 ILE 4 -9.476 1.538 -1.244 25 HD12 ILE 4 HD12 ILE 4 -9.259 2.456 -2.753 26 HD13 ILE 4 HD13 ILE 4 -7.838 1.911 -1.831 27 H VAL 5 HN VAL 5 -8.341 6.188 2.995 28 HA VAL 5 HA VAL 5 -5.985 5.646 4.441 29 HB VAL 5 HB VAL 5 -8.712 6.474 5.449 30 HG11 VAL 5 HG11 VAL 5 -6.256 5.943 6.792 31 HG12 VAL 5 HG12 VAL 5 -6.525 7.702 6.832 32 HG13 VAL 5 HG13 VAL 5 -7.769 6.596 7.464 33 HG21 VAL 5 HG21 VAL 5 -8.424 8.561 4.653 34 HG22 VAL 5 HG22 VAL 5 -6.681 8.565 5.017 35 HG23 VAL 5 HG23 VAL 5 -7.277 7.801 3.523 36 H LEU 6 HN LEU 6 -5.366 3.850 5.531 37 HA LEU 6 HA LEU 6 -7.360 1.740 5.806 38 HB2 LEU 6 HB2 LEU 6 -4.345 1.735 5.959 39 HB3 LEU 6 HB3 LEU 6 -5.346 0.332 6.278 40 HG LEU 6 HG LEU 6 -5.490 1.814 3.651 41 HD11 LEU 6 HD11 LEU 6 -3.222 1.273 3.683 42 HD12 LEU 6 HD12 LEU 6 -3.497 -0.264 4.536 43 HD13 LEU 6 HD13 LEU 6 -3.972 -0.096 2.829 44 HD21 LEU 6 HD21 LEU 6 -7.007 0.297 3.091 45 HD22 LEU 6 HD22 LEU 6 -5.916 -1.035 3.543 46 HD23 LEU 6 HD23 LEU 6 -6.975 -0.297 4.769 47 H LYS 7 HN LYS 7 -7.136 0.369 7.886 48 HA LYS 7 HA LYS 7 -7.289 2.246 10.090 49 HB2 LYS 7 HB2 LYS 7 -7.931 -0.712 10.092 50 HB3 LYS 7 HB3 LYS 7 -8.422 0.490 11.267 51 HG2 LYS 7 HG2 LYS 7 -9.310 1.540 8.800 52 HG3 LYS 7 HG3 LYS 7 -9.633 -0.177 8.672 53 HD2 LYS 7 HD2 LYS 7 -10.429 1.406 11.148 54 HD3 LYS 7 HD3 LYS 7 -11.473 1.323 9.743 55 HE2 LYS 7 HE2 LYS 7 -12.189 -0.446 11.213 56 HE3 LYS 7 HE3 LYS 7 -11.338 -1.226 9.895 57 HZ1 LYS 7 HZ1 LYS 7 -10.747 -1.536 12.537 58 HZ2 LYS 7 HZ2 LYS 7 -9.757 -1.951 11.313 59 H ALA 8 HN ALA 8 -5.816 2.415 11.730 60 HA ALA 8 HA ALA 8 -4.086 0.358 12.488 61 HB1 ALA 8 HB1 ALA 8 -2.021 0.950 11.499 62 HB2 ALA 8 HB2 ALA 8 -3.182 1.011 10.151 63 HB3 ALA 8 HB3 ALA 8 -2.641 2.518 10.930 64 H LYS 9 HN LYS 9 -4.382 0.891 14.615 65 HA LYS 9 HA LYS 9 -4.653 3.548 15.491 66 HB2 LYS 9 HB2 LYS 9 -4.563 0.847 16.680 67 HB3 LYS 9 HB3 LYS 9 -3.987 2.122 17.734 68 HG2 LYS 9 HG2 LYS 9 -6.487 2.758 16.225 69 HG3 LYS 9 HG3 LYS 9 -6.639 1.474 17.407 70 HD2 LYS 9 HD2 LYS 9 -6.967 3.184 18.894 71 HD3 LYS 9 HD3 LYS 9 -5.219 3.305 18.878 72 HE2 LYS 9 HE2 LYS 9 -5.248 5.305 17.770 73 HE3 LYS 9 HE3 LYS 9 -6.452 4.756 16.621 74 HZ1 LYS 9 HZ1 LYS 9 -7.041 6.567 18.415 75 HZ2 LYS 9 HZ2 LYS 9 -8.162 5.472 17.973 76 H ASN 10 HN ASN 10 -1.935 1.758 14.427 77 HA ASN 10 HA ASN 10 -0.102 3.073 16.185 78 HB2 ASN 10 HB2 ASN 10 0.353 1.338 13.700 79 HB3 ASN 10 HB3 ASN 10 1.630 1.890 14.764 80 HD21 ASN 10 HD21 ASN 10 2.188 0.673 16.408 81 HD22 ASN 10 HD22 ASN 10 1.288 -0.643 17.084 82 H GLY 11 HN GLY 11 -1.968 4.095 13.652 83 HA2 GLY 11 HA1 GLY 11 -1.452 6.406 12.959 84 HA3 GLY 11 HA2 GLY 11 0.146 5.833 12.524 85 H ASP 12 HN ASP 12 -3.019 6.425 11.394 86 HA ASP 12 HA ASP 12 -3.608 4.491 9.657 87 HB2 ASP 12 HB2 ASP 12 -3.953 7.446 9.730 88 HB3 ASP 12 HB3 ASP 12 -4.099 6.758 8.125 89 HD2 ASP 12 HD2 ASP 12 -6.721 4.848 10.323 90 H VAL 13 HN VAL 13 -3.290 4.475 7.159 91 HA VAL 13 HA VAL 13 -0.628 5.488 6.447 92 HB VAL 13 HB VAL 13 -1.748 2.806 5.629 93 HG11 VAL 13 HG11 VAL 13 -0.131 3.588 4.056 94 HG12 VAL 13 HG12 VAL 13 0.968 4.122 5.351 95 HG13 VAL 13 HG13 VAL 13 0.686 2.385 5.083 96 HG21 VAL 13 HG21 VAL 13 -1.210 1.979 7.628 97 HG22 VAL 13 HG22 VAL 13 0.480 2.464 7.350 98 HG23 VAL 13 HG23 VAL 13 -0.642 3.577 8.170 99 H LYS 14 HN LYS 14 -1.588 7.299 5.397 100 HA LYS 14 HA LYS 14 -3.723 7.036 3.597 101 HB2 LYS 14 HB2 LYS 14 -3.326 9.163 4.544 102 HB3 LYS 14 HB3 LYS 14 -1.633 9.156 4.094 103 HG2 LYS 14 HG2 LYS 14 -2.952 8.814 1.637 104 HG3 LYS 14 HG3 LYS 14 -3.989 9.934 2.497 105 HD2 LYS 14 HD2 LYS 14 -0.998 10.403 2.497 106 HD3 LYS 14 HD3 LYS 14 -1.926 10.831 1.075 107 HE2 LYS 14 HE2 LYS 14 -2.659 11.785 3.881 108 HE3 LYS 14 HE3 LYS 14 -1.625 12.701 2.804 109 HZ1 LYS 14 HZ1 LYS 14 -3.392 13.012 1.296 110 HZ2 LYS 14 HZ2 LYS 14 -4.301 11.810 1.915 111 H LEU 15 HN LEU 15 -3.636 5.645 1.898 112 HA LEU 15 HA LEU 15 -1.129 5.531 0.399 113 HB2 LEU 15 HB2 LEU 15 -1.692 3.384 0.962 114 HB3 LEU 15 HB3 LEU 15 -3.417 3.674 0.846 115 HG LEU 15 HG LEU 15 -2.644 4.018 -1.762 116 HD11 LEU 15 HD11 LEU 15 -1.178 1.520 -1.171 117 HD12 LEU 15 HD12 LEU 15 -0.874 2.779 -2.392 118 HD13 LEU 15 HD13 LEU 15 -0.354 3.028 -0.708 119 HD21 LEU 15 HD21 LEU 15 -3.505 1.658 -2.072 120 HD22 LEU 15 HD22 LEU 15 -3.623 1.562 -0.298 121 HD23 LEU 15 HD23 LEU 15 -4.573 2.775 -1.189 122 HA PRO 16 HA PRO 16 -3.069 8.223 -2.535 123 HB2 PRO 16 HB2 PRO 16 -0.866 8.405 -4.181 124 HB3 PRO 16 HB3 PRO 16 -0.985 9.246 -2.601 125 HG2 PRO 16 HG2 PRO 16 0.732 6.638 -3.112 126 HG3 PRO 16 HG3 PRO 16 0.684 8.274 -2.378 127 HD2 PRO 16 HD2 PRO 16 -0.113 5.728 -1.205 128 HD3 PRO 16 HD3 PRO 16 -0.256 7.357 -0.476 129 H HIS 17 HN HIS 17 -4.344 5.938 -2.855 130 HA HIS 17 HA HIS 17 -3.668 4.039 -4.578 131 HB2 HIS 17 HB2 HIS 17 -5.854 4.339 -3.388 132 HB3 HIS 17 HB3 HIS 17 -6.341 5.465 -4.640 133 HD1 HIS 17 HD1 HIS 17 -7.486 4.476 -6.646 134 HD2 HIS 17 HD2 HIS 17 -5.296 1.621 -4.490 135 HE1 HIS 17 HE1 HIS 17 -8.000 2.220 -7.720 136 H LYS 18 HN LYS 18 -5.066 7.239 -5.595 137 HA LYS 18 HA LYS 18 -5.017 6.885 -8.283 138 HB2 LYS 18 HB2 LYS 18 -5.987 8.833 -7.245 139 HB3 LYS 18 HB3 LYS 18 -4.429 9.366 -6.648 140 HG2 LYS 18 HG2 LYS 18 -3.765 9.236 -9.248 141 HG3 LYS 18 HG3 LYS 18 -5.495 9.404 -9.472 142 HD2 LYS 18 HD2 LYS 18 -3.981 11.285 -7.624 143 HD3 LYS 18 HD3 LYS 18 -4.026 11.575 -9.352 144 HE2 LYS 18 HE2 LYS 18 -6.719 11.000 -8.580 145 HE3 LYS 18 HE3 LYS 18 -6.090 12.091 -7.362 146 HZ1 LYS 18 HZ1 LYS 18 -6.668 13.620 -8.938 147 HZ2 LYS 18 HZ2 LYS 18 -5.199 13.293 -9.562 148 H ALA 19 HN ALA 19 -2.314 8.423 -6.393 149 HA ALA 19 HA ALA 19 -0.494 8.546 -8.417 150 HB1 ALA 19 HB1 ALA 19 1.075 8.941 -6.731 151 HB2 ALA 19 HB2 ALA 19 -0.456 9.321 -5.907 152 HB3 ALA 19 HB3 ALA 19 0.340 7.754 -5.627 153 H HIS 20 HN HIS 20 -1.052 5.796 -6.112 154 HA HIS 20 HA HIS 20 0.891 4.153 -7.244 155 HB2 HIS 20 HB2 HIS 20 -1.525 3.694 -5.511 156 HB3 HIS 20 HB3 HIS 20 -0.620 2.329 -6.136 157 HD1 HIS 20 HD1 HIS 20 -0.344 5.229 -3.739 158 HD2 HIS 20 HD2 HIS 20 1.925 1.927 -4.982 159 HE1 HIS 20 HE1 HIS 20 1.582 5.020 -2.079 160 H GLN 21 HN GLN 21 -2.306 5.102 -8.306 161 HA GLN 21 HA GLN 21 -2.632 2.806 -9.967 162 HB2 GLN 21 HB2 GLN 21 -4.202 5.251 -9.282 163 HB3 GLN 21 HB3 GLN 21 -4.487 4.602 -10.885 164 HG2 GLN 21 HG2 GLN 21 -4.790 2.298 -9.766 165 HG3 GLN 21 HG3 GLN 21 -4.784 3.136 -8.227 166 HE21 GLN 21 HE21 GLN 21 -6.215 5.223 -8.308 167 HE22 GLN 21 HE22 GLN 21 -7.831 4.993 -8.890 168 H LYS 22 HN LYS 22 -0.561 5.397 -10.092 169 HA LYS 22 HA LYS 22 -0.628 5.418 -13.029 170 HB2 LYS 22 HB2 LYS 22 -1.364 7.574 -12.020 171 HB3 LYS 22 HB3 LYS 22 0.185 7.705 -11.212 172 HG2 LYS 22 HG2 LYS 22 -0.045 7.360 -14.232 173 HG3 LYS 22 HG3 LYS 22 -0.056 8.938 -13.471 174 HD2 LYS 22 HD2 LYS 22 2.148 7.610 -12.294 175 HD3 LYS 22 HD3 LYS 22 2.209 7.139 -13.981 176 HE2 LYS 22 HE2 LYS 22 3.382 9.138 -14.122 177 HE3 LYS 22 HE3 LYS 22 1.763 9.754 -14.388 178 HZ1 LYS 22 HZ1 LYS 22 2.079 11.010 -12.569 179 HZ2 LYS 22 HZ2 LYS 22 2.100 9.676 -11.637 180 H ALA 23 HN ALA 23 1.319 5.501 -10.005 181 HA ALA 23 HA ALA 23 3.808 5.355 -11.327 182 HB1 ALA 23 HB1 ALA 23 2.770 5.540 -8.658 183 HB2 ALA 23 HB2 ALA 23 3.928 4.189 -8.715 184 HB3 ALA 23 HB3 ALA 23 4.434 5.818 -9.222 185 H VAL 24 HN VAL 24 1.251 3.060 -10.681 186 HA VAL 24 HA VAL 24 3.073 0.907 -11.509 187 HB VAL 24 HB VAL 24 0.825 0.919 -9.499 188 HG11 VAL 24 HG11 VAL 24 0.430 -1.017 -10.885 189 HG12 VAL 24 HG12 VAL 24 2.150 -1.471 -10.820 190 HG13 VAL 24 HG13 VAL 24 1.151 -1.555 -9.349 191 HG21 VAL 24 HG21 VAL 24 3.391 1.423 -9.032 192 HG22 VAL 24 HG22 VAL 24 2.410 0.457 -7.904 193 HG23 VAL 24 HG23 VAL 24 3.498 -0.353 -9.056 194 HA PRO 25 HA PRO 25 0.012 1.516 -14.835 195 HB2 PRO 25 HB2 PRO 25 2.289 0.488 -16.462 196 HB3 PRO 25 HB3 PRO 25 1.370 2.023 -16.588 197 HG2 PRO 25 HG2 PRO 25 4.030 2.052 -15.626 198 HG3 PRO 25 HG3 PRO 25 2.673 3.127 -15.156 199 HD2 PRO 25 HD2 PRO 25 3.657 0.531 -13.840 200 HD3 PRO 25 HD3 PRO 25 3.371 2.124 -13.075 201 H ASP 26 HN ASP 26 -0.400 -0.624 -13.134 202 HA ASP 26 HA ASP 26 -1.088 -2.619 -14.942 203 HB2 ASP 26 HB2 ASP 26 1.556 -2.854 -13.700 204 HB3 ASP 26 HB3 ASP 26 0.532 -4.188 -13.210 205 HD2 ASP 26 HD2 ASP 26 0.406 -4.218 -17.100 206 H CYS 27 HN CYS 27 -3.102 -2.226 -13.764 207 HA CYS 27 HA CYS 27 -3.194 -2.397 -10.947 208 HB2 CYS 27 HB2 CYS 27 -5.622 -2.851 -12.625 209 HB3 CYS 27 HB3 CYS 27 -5.444 -1.963 -11.125 210 H LYS 28 HN LYS 28 -1.777 -4.546 -11.215 211 HA LYS 28 HA LYS 28 -3.657 -6.733 -10.869 212 HB2 LYS 28 HB2 LYS 28 -1.817 -8.079 -12.289 213 HB3 LYS 28 HB3 LYS 28 -3.274 -7.405 -12.991 214 HG2 LYS 28 HG2 LYS 28 -1.983 -5.295 -13.536 215 HG3 LYS 28 HG3 LYS 28 -0.530 -6.064 -12.929 216 HD2 LYS 28 HD2 LYS 28 -2.090 -7.619 -14.964 217 HD3 LYS 28 HD3 LYS 28 -1.300 -6.168 -15.547 218 HE2 LYS 28 HE2 LYS 28 0.512 -7.562 -15.789 219 HE3 LYS 28 HE3 LYS 28 0.752 -7.223 -14.086 220 HZ1 LYS 28 HZ1 LYS 28 -0.064 -9.682 -15.316 221 HZ2 LYS 28 HZ2 LYS 28 0.557 -9.442 -13.830 222 H LYS 29 HN LYS 29 -0.192 -5.666 -10.894 223 HA LYS 29 HA LYS 29 0.741 -7.587 -9.138 224 HB2 LYS 29 HB2 LYS 29 2.324 -6.342 -10.346 225 HB3 LYS 29 HB3 LYS 29 1.640 -4.803 -9.862 226 HG2 LYS 29 HG2 LYS 29 3.613 -5.056 -8.530 227 HG3 LYS 29 HG3 LYS 29 2.281 -5.401 -7.445 228 HD2 LYS 29 HD2 LYS 29 2.915 -7.580 -7.165 229 HD3 LYS 29 HD3 LYS 29 3.203 -7.812 -8.878 230 HE2 LYS 29 HE2 LYS 29 5.432 -7.750 -8.458 231 HE3 LYS 29 HE3 LYS 29 5.265 -6.056 -8.042 232 HZ1 LYS 29 HZ1 LYS 29 4.996 -6.606 -5.765 233 HZ2 LYS 29 HZ2 LYS 29 4.721 -8.184 -6.055 234 H CYS 30 HN CYS 30 -1.468 -4.968 -8.617 235 HA CYS 30 HA CYS 30 -0.979 -5.136 -5.737 236 HB2 CYS 30 HB2 CYS 30 -1.693 -2.921 -7.519 237 HB3 CYS 30 HB3 CYS 30 -2.768 -3.045 -6.141 238 H HIS 31 HN HIS 31 -3.280 -5.549 -8.435 239 HA HIS 31 HA HIS 31 -5.249 -6.531 -6.501 240 HB2 HIS 31 HB2 HIS 31 -5.569 -5.277 -9.232 241 HB3 HIS 31 HB3 HIS 31 -6.858 -6.184 -8.466 242 HD1 HIS 31 HD1 HIS 31 -7.501 -5.230 -5.915 243 HD2 HIS 31 HD2 HIS 31 -5.558 -2.624 -8.567 244 HE1 HIS 31 HE1 HIS 31 -7.913 -2.873 -5.031 245 H GLU 32 HN GLU 32 -5.179 -8.712 -6.319 246 HA GLU 32 HA GLU 32 -3.995 -10.262 -8.363 247 HB2 GLU 32 HB2 GLU 32 -3.727 -10.931 -6.044 248 HB3 GLU 32 HB3 GLU 32 -5.461 -10.986 -5.794 249 HG2 GLU 32 HG2 GLU 32 -5.690 -13.037 -6.829 250 HG3 GLU 32 HG3 GLU 32 -4.473 -12.685 -8.040 251 HE2 GLU 32 HE2 GLU 32 -2.233 -13.345 -7.397 252 H LYS 33 HN LYS 33 -6.935 -11.555 -6.888 253 HA LYS 33 HA LYS 33 -8.018 -12.614 -9.093 254 HB2 LYS 33 HB2 LYS 33 -9.311 -11.459 -6.624 255 HB3 LYS 33 HB3 LYS 33 -10.270 -12.223 -7.876 256 HG2 LYS 33 HG2 LYS 33 -9.799 -14.199 -6.852 257 HG3 LYS 33 HG3 LYS 33 -8.187 -14.049 -7.525 258 HD2 LYS 33 HD2 LYS 33 -7.705 -14.309 -5.246 259 HD3 LYS 33 HD3 LYS 33 -7.696 -12.563 -5.398 260 HE2 LYS 33 HE2 LYS 33 -9.746 -12.307 -4.288 261 HE3 LYS 33 HE3 LYS 33 -10.328 -13.890 -4.765 262 HZ1 LYS 33 HZ1 LYS 33 -9.149 -14.906 -3.065 263 HZ2 LYS 33 HZ2 LYS 33 -8.007 -13.749 -2.966 264 H GLY 34 HN GLY 34 -7.933 -9.185 -8.217 265 HA2 GLY 34 HA1 GLY 34 -8.160 -8.056 -10.604 266 HA3 GLY 34 HA2 GLY 34 -9.836 -8.475 -10.309 267 HA PRO 35 HA PRO 35 -8.631 -4.254 -8.490 268 HB2 PRO 35 HB2 PRO 35 -10.736 -2.954 -9.750 269 HB3 PRO 35 HB3 PRO 35 -9.108 -3.165 -10.472 270 HG2 PRO 35 HG2 PRO 35 -11.394 -4.783 -10.593 271 HG3 PRO 35 HG3 PRO 35 -10.788 -4.496 -12.257 272 HD2 PRO 35 HD2 PRO 35 -9.976 -6.726 -11.418 273 HD3 PRO 35 HD3 PRO 35 -8.597 -5.588 -11.490 274 H GLY 36 HN GLY 36 -9.381 -4.122 -6.377 275 HA2 GLY 36 HA1 GLY 36 -11.743 -3.529 -5.427 276 HA3 GLY 36 HA2 GLY 36 -12.043 -5.211 -5.815 277 H LYS 37 HN LYS 37 -12.342 -5.718 -3.547 278 HA LYS 37 HA LYS 37 -10.409 -5.130 -1.609 279 HB2 LYS 37 HB2 LYS 37 -11.710 -6.415 -0.167 280 HB3 LYS 37 HB3 LYS 37 -12.870 -5.812 -1.334 281 HG2 LYS 37 HG2 LYS 37 -12.819 -7.940 -2.570 282 HG3 LYS 37 HG3 LYS 37 -11.523 -8.544 -1.557 283 HD2 LYS 37 HD2 LYS 37 -13.134 -9.437 -0.226 284 HD3 LYS 37 HD3 LYS 37 -13.469 -7.804 0.314 285 HE2 LYS 37 HE2 LYS 37 -15.590 -8.372 -0.438 286 HE3 LYS 37 HE3 LYS 37 -14.943 -7.720 -1.931 287 HZ1 LYS 37 HZ1 LYS 37 -15.612 -9.759 -2.683 288 HZ2 LYS 37 HZ2 LYS 37 -14.148 -10.244 -2.160 289 H ILE 38 HN ILE 38 -8.785 -6.462 -0.631 290 HA ILE 38 HA ILE 38 -7.846 -8.568 -2.451 291 HB ILE 38 HB ILE 38 -6.207 -6.810 -0.625 292 HG12 ILE 38 HG12 ILE 38 -6.419 -6.631 -3.640 293 HG13 ILE 38 HG13 ILE 38 -7.343 -5.616 -2.551 294 HG21 ILE 38 HG21 ILE 38 -4.305 -7.837 -1.456 295 HG22 ILE 38 HG22 ILE 38 -5.436 -9.201 -1.285 296 HG23 ILE 38 HG23 ILE 38 -5.147 -8.481 -2.886 297 HD11 ILE 38 HD11 ILE 38 -4.345 -5.824 -2.188 298 HD12 ILE 38 HD12 ILE 38 -5.015 -4.767 -3.454 299 HD13 ILE 38 HD13 ILE 38 -5.439 -4.490 -1.748 300 H GLU 39 HN GLU 39 -7.462 -10.598 -1.628 301 HA GLU 39 HA GLU 39 -8.248 -10.913 1.145 302 HB2 GLU 39 HB2 GLU 39 -8.228 -12.727 -1.271 303 HB3 GLU 39 HB3 GLU 39 -8.201 -13.443 0.328 304 HG2 GLU 39 HG2 GLU 39 -10.200 -11.656 0.733 305 HG3 GLU 39 HG3 GLU 39 -10.371 -11.839 -1.002 306 HE2 GLU 39 HE2 GLU 39 -11.984 -14.195 1.407 307 H GLY 40 HN GLY 40 -6.777 -11.452 2.717 308 HA2 GLY 40 HA1 GLY 40 -4.919 -12.863 3.344 309 HA3 GLY 40 HA2 GLY 40 -4.155 -12.481 1.814 310 H PHE 41 HN PHE 41 -4.650 -9.669 1.652 311 HA PHE 41 HA PHE 41 -2.529 -8.706 3.169 312 HB2 PHE 41 HB2 PHE 41 -3.549 -7.799 0.999 313 HB3 PHE 41 HB3 PHE 41 -4.946 -7.269 1.915 314 HD1 PHE 41 HD2 PHE 41 -4.633 -5.492 3.684 315 HD2 PHE 41 HD1 PHE 41 -1.602 -6.470 0.878 316 HE1 PHE 41 HE2 PHE 41 -3.498 -3.301 4.146 317 HE2 PHE 41 HE1 PHE 41 -0.468 -4.279 1.340 318 HZ PHE 41 HZ PHE 41 -1.429 -2.721 2.968 319 H GLY 42 HN GLY 42 -2.503 -8.595 5.374 320 HA2 GLY 42 HA1 GLY 42 -4.794 -7.257 6.663 321 HA3 GLY 42 HA2 GLY 42 -4.174 -8.770 7.293 322 H LYS 43 HN LYS 43 -1.345 -8.321 6.731 323 HA LYS 43 HA LYS 43 -0.584 -5.842 7.905 324 HB2 LYS 43 HB2 LYS 43 -1.462 -7.174 9.878 325 HB3 LYS 43 HB3 LYS 43 -0.145 -8.300 9.618 326 HG2 LYS 43 HG2 LYS 43 1.036 -5.703 9.556 327 HG3 LYS 43 HG3 LYS 43 -0.089 -5.681 10.900 328 HD2 LYS 43 HD2 LYS 43 1.018 -8.081 11.413 329 HD3 LYS 43 HD3 LYS 43 2.348 -7.411 10.490 330 HE2 LYS 43 HE2 LYS 43 1.434 -5.383 12.340 331 HE3 LYS 43 HE3 LYS 43 1.639 -6.878 13.232 332 HZ1 LYS 43 HZ1 LYS 43 3.898 -7.028 12.479 333 HZ2 LYS 43 HZ2 LYS 43 3.727 -5.808 11.414 334 H GLU 44 HN GLU 44 0.899 -9.117 8.249 335 HA GLU 44 HA GLU 44 3.359 -8.581 7.580 336 HB2 GLU 44 HB2 GLU 44 1.601 -10.935 7.012 337 HB3 GLU 44 HB3 GLU 44 3.143 -10.909 6.179 338 HG2 GLU 44 HG2 GLU 44 2.901 -11.951 8.641 339 HG3 GLU 44 HG3 GLU 44 4.371 -11.143 8.132 340 HE2 GLU 44 HE2 GLU 44 4.507 -9.456 10.638 341 H MET 45 HN MET 45 0.694 -8.983 5.173 342 HA MET 45 HA MET 45 2.151 -8.889 2.893 343 HB2 MET 45 HB2 MET 45 -0.603 -7.886 3.703 344 HB3 MET 45 HB3 MET 45 -0.039 -7.555 2.077 345 HG2 MET 45 HG2 MET 45 -1.123 -9.616 1.773 346 HG3 MET 45 HG3 MET 45 0.533 -10.137 2.011 347 HE1 MET 45 HE1 MET 45 -0.109 -12.853 4.233 348 HE2 MET 45 HE2 MET 45 0.622 -12.118 2.787 349 HE3 MET 45 HE3 MET 45 1.240 -11.704 4.404 350 H ALA 46 HN ALA 46 0.594 -6.017 4.510 351 HA ALA 46 HA ALA 46 1.714 -4.106 2.860 352 HB1 ALA 46 HB1 ALA 46 1.337 -2.635 4.970 353 HB2 ALA 46 HB2 ALA 46 -0.072 -3.451 4.251 354 HB3 ALA 46 HB3 ALA 46 0.696 -4.121 5.710 355 H HIS 47 HN HIS 47 2.984 -5.707 5.825 356 HA HIS 47 HA HIS 47 5.342 -4.066 5.764 357 HB2 HIS 47 HB2 HIS 47 4.630 -6.463 7.479 358 HB3 HIS 47 HB3 HIS 47 6.018 -5.419 7.712 359 HD1 HIS 47 HD1 HIS 47 3.174 -5.945 9.460 360 HD2 HIS 47 HD2 HIS 47 4.568 -2.478 7.553 361 HE1 HIS 47 HE1 HIS 47 2.005 -3.984 10.599 362 H GLY 48 HN GLY 48 4.363 -6.201 3.608 363 HA2 GLY 48 HA1 GLY 48 7.056 -7.081 2.992 364 HA3 GLY 48 HA2 GLY 48 5.929 -8.367 3.376 365 H LYS 49 HN LYS 49 5.406 -9.319 1.438 366 HA LYS 49 HA LYS 49 5.303 -7.894 -0.979 367 HB2 LYS 49 HB2 LYS 49 5.809 -10.279 -0.855 368 HB3 LYS 49 HB3 LYS 49 4.212 -10.619 -0.220 369 HG2 LYS 49 HG2 LYS 49 3.186 -10.372 -2.272 370 HG3 LYS 49 HG3 LYS 49 4.231 -9.052 -2.759 371 HD2 LYS 49 HD2 LYS 49 5.823 -11.470 -2.522 372 HD3 LYS 49 HD3 LYS 49 4.417 -11.814 -3.510 373 HE2 LYS 49 HE2 LYS 49 4.950 -9.743 -4.887 374 HE3 LYS 49 HE3 LYS 49 6.421 -9.550 -3.956 375 HZ1 LYS 49 HZ1 LYS 49 6.252 -12.213 -4.904 376 HZ2 LYS 49 HZ2 LYS 49 6.061 -11.198 -6.163 377 H GLY 50 HN GLY 50 3.976 -6.026 -0.193 378 HA2 GLY 50 HA1 GLY 50 1.260 -6.368 -1.041 379 HA3 GLY 50 HA2 GLY 50 1.390 -6.125 0.690 380 H CYS 51 HN CYS 51 3.499 -4.345 0.992 381 HA CYS 51 HA CYS 51 2.854 -2.118 -0.773 382 HB2 CYS 51 HB2 CYS 51 2.916 -1.863 2.239 383 HB3 CYS 51 HB3 CYS 51 2.628 -0.580 1.080 384 H LYS 52 HN LYS 52 4.821 -3.237 2.082 385 HA LYS 52 HA LYS 52 7.007 -1.566 1.458 386 HB2 LYS 52 HB2 LYS 52 6.194 -3.207 3.587 387 HB3 LYS 52 HB3 LYS 52 7.696 -3.914 3.026 388 HG2 LYS 52 HG2 LYS 52 7.453 -0.913 3.452 389 HG3 LYS 52 HG3 LYS 52 7.810 -1.984 4.793 390 HD2 LYS 52 HD2 LYS 52 9.436 -1.998 2.212 391 HD3 LYS 52 HD3 LYS 52 9.838 -0.964 3.569 392 HE2 LYS 52 HE2 LYS 52 9.400 -3.882 4.163 393 HE3 LYS 52 HE3 LYS 52 10.860 -3.460 3.291 394 HZ1 LYS 52 HZ1 LYS 52 11.485 -3.235 5.510 395 HZ2 LYS 52 HZ2 LYS 52 11.110 -1.691 5.156 396 H GLY 53 HN GLY 53 6.358 -5.098 0.949 397 HA2 GLY 53 HA1 GLY 53 8.609 -6.025 -0.126 398 HA3 GLY 53 HA2 GLY 53 7.032 -6.402 -0.791 399 H CYS 54 HN CYS 54 6.220 -3.944 -1.903 400 HA CYS 54 HA CYS 54 7.807 -3.950 -4.256 401 HB2 CYS 54 HB2 CYS 54 5.314 -3.680 -4.222 402 HB3 CYS 54 HB3 CYS 54 5.525 -2.089 -3.518 403 H HIS 55 HN HIS 55 7.198 -1.737 -1.465 404 HA HIS 55 HA HIS 55 8.630 0.432 -2.411 405 HB2 HIS 55 HB2 HIS 55 8.108 -0.528 0.414 406 HB3 HIS 55 HB3 HIS 55 8.820 1.026 0.030 407 HD1 HIS 55 HD1 HIS 55 6.089 0.790 1.520 408 HD2 HIS 55 HD2 HIS 55 6.506 1.311 -2.622 409 HE1 HIS 55 HE1 HIS 55 3.903 1.823 0.706 410 H GLU 56 HN GLU 56 9.680 -2.447 -0.493 411 HA GLU 56 HA GLU 56 12.354 -1.500 -0.408 412 HB2 GLU 56 HB2 GLU 56 12.718 -3.955 0.442 413 HB3 GLU 56 HB3 GLU 56 11.821 -2.831 1.443 414 HG2 GLU 56 HG2 GLU 56 9.828 -3.945 1.153 415 HG3 GLU 56 HG3 GLU 56 10.148 -4.299 -0.534 416 HE2 GLU 56 HE2 GLU 56 9.864 -7.110 1.457 417 H GLU 57 HN GLU 57 10.374 -3.498 -2.546 418 HA GLU 57 HA GLU 57 12.584 -4.760 -3.785 419 HB2 GLU 57 HB2 GLU 57 10.482 -5.914 -3.850 420 HB3 GLU 57 HB3 GLU 57 9.633 -4.510 -4.466 421 HG2 GLU 57 HG2 GLU 57 9.962 -6.027 -6.328 422 HG3 GLU 57 HG3 GLU 57 11.022 -4.654 -6.580 423 HE2 GLU 57 HE2 GLU 57 12.602 -7.525 -4.544 424 H MET 58 HN MET 58 10.588 -1.838 -4.357 425 HA MET 58 HA MET 58 12.016 -1.356 -6.821 426 HB2 MET 58 HB2 MET 58 9.722 0.080 -5.378 427 HB3 MET 58 HB3 MET 58 10.403 0.661 -6.884 428 HG2 MET 58 HG2 MET 58 9.928 -1.847 -7.701 429 HG3 MET 58 HG3 MET 58 8.778 -1.839 -6.379 430 HE1 MET 58 HE1 MET 58 8.910 -2.027 -9.508 431 HE2 MET 58 HE2 MET 58 7.135 -1.958 -9.400 432 HE3 MET 58 HE3 MET 58 8.012 -0.774 -10.399 433 H LYS 59 HN LYS 59 11.542 0.046 -3.530 434 HA LYS 59 HA LYS 59 12.913 1.304 -2.315 435 HB2 LYS 59 HB2 LYS 59 14.852 1.440 -4.636 436 HB3 LYS 59 HB3 LYS 59 15.183 1.747 -2.943 437 HG2 LYS 59 HG2 LYS 59 13.998 -0.932 -3.572 438 HG3 LYS 59 HG3 LYS 59 15.628 -0.664 -4.157 439 HD2 LYS 59 HD2 LYS 59 15.430 0.338 -1.437 440 HD3 LYS 59 HD3 LYS 59 14.799 -1.296 -1.486 441 HE2 LYS 59 HE2 LYS 59 16.850 -2.195 -2.341 442 HE3 LYS 59 HE3 LYS 59 17.437 -0.620 -2.837 443 HZ1 LYS 59 HZ1 LYS 59 18.473 -0.589 -0.851 444 HZ2 LYS 59 HZ2 LYS 59 17.026 -0.357 -0.140 445 H LYS 60 HN LYS 60 10.692 2.392 -3.398 446 HA LYS 60 HA LYS 60 11.632 5.079 -4.071 447 HB2 LYS 60 HB2 LYS 60 9.885 3.316 -5.704 448 HB3 LYS 60 HB3 LYS 60 9.345 4.973 -5.523 449 HG2 LYS 60 HG2 LYS 60 10.892 5.663 -7.027 450 HG3 LYS 60 HG3 LYS 60 12.180 5.058 -6.004 451 HD2 LYS 60 HD2 LYS 60 12.264 2.967 -7.105 452 HD3 LYS 60 HD3 LYS 60 10.624 3.099 -7.707 453 HE2 LYS 60 HE2 LYS 60 12.415 5.261 -8.676 454 HE3 LYS 60 HE3 LYS 60 12.922 3.659 -9.175 455 HZ1 LYS 60 HZ1 LYS 60 10.130 3.865 -9.511 456 HZ2 LYS 60 HZ2 LYS 60 10.815 5.157 -10.227 457 H GLY 61 HN GLY 61 8.946 2.927 -2.973 458 HA2 GLY 61 HA1 GLY 61 7.464 5.082 -1.803 459 HA3 GLY 61 HA2 GLY 61 7.170 3.362 -1.637 460 HA PRO 62 HA PRO 62 8.882 5.019 2.371 461 HB2 PRO 62 HB2 PRO 62 6.738 4.453 3.946 462 HB3 PRO 62 HB3 PRO 62 6.775 5.907 2.896 463 HG2 PRO 62 HG2 PRO 62 5.152 3.216 2.057 464 HG3 PRO 62 HG3 PRO 62 5.014 4.984 2.327 465 HD2 PRO 62 HD2 PRO 62 5.884 3.630 -0.064 466 HD3 PRO 62 HD3 PRO 62 6.013 5.383 0.276 467 H THR 63 HN THR 63 10.042 3.639 3.769 468 HA THR 63 HA THR 63 9.126 0.865 3.934 469 HB THR 63 HB THR 63 11.743 0.386 3.608 470 HG1 THR 63 HG1 THR 63 12.683 2.077 2.388 471 HG21 THR 63 HG21 THR 63 10.839 1.093 0.935 472 HG22 THR 63 HG22 THR 63 11.026 -0.530 1.642 473 HG23 THR 63 HG23 THR 63 9.491 0.351 1.829 474 H LYS 64 HN LYS 64 9.003 3.204 5.748 475 HA LYS 64 HA LYS 64 10.514 1.959 7.918 476 HB2 LYS 64 HB2 LYS 64 11.269 4.384 6.739 477 HB3 LYS 64 HB3 LYS 64 10.407 4.857 8.189 478 HG2 LYS 64 HG2 LYS 64 11.825 3.319 9.549 479 HG3 LYS 64 HG3 LYS 64 12.673 2.808 8.102 480 HD2 LYS 64 HD2 LYS 64 12.594 5.759 8.475 481 HD3 LYS 64 HD3 LYS 64 13.450 4.905 9.744 482 HE2 LYS 64 HE2 LYS 64 15.176 4.295 8.354 483 HE3 LYS 64 HE3 LYS 64 14.105 3.933 7.014 484 HZ1 LYS 64 HZ1 LYS 64 15.670 6.142 7.180 485 HZ2 LYS 64 HZ2 LYS 64 14.387 6.004 6.186 486 H CYS 65 HN CYS 65 9.554 2.314 10.043 487 HA CYS 65 HA CYS 65 6.808 2.057 10.007 488 HB2 CYS 65 HB2 CYS 65 8.284 3.073 12.419 489 HB3 CYS 65 HB3 CYS 65 6.897 2.006 12.341 490 H GLY 66 HN GLY 66 8.971 4.896 10.566 491 HA2 GLY 66 HA1 GLY 66 6.714 6.673 10.992 492 HA3 GLY 66 HA2 GLY 66 8.419 7.073 11.035 493 H GLU 67 HN GLU 67 7.462 5.134 8.299 494 HA GLU 67 HA GLU 67 7.488 7.561 6.679 495 HB2 GLU 67 HB2 GLU 67 9.164 5.263 6.568 496 HB3 GLU 67 HB3 GLU 67 8.115 5.153 5.168 497 HG2 GLU 67 HG2 GLU 67 8.711 7.739 4.889 498 HG3 GLU 67 HG3 GLU 67 10.090 7.329 5.890 499 HE2 GLU 67 HE2 GLU 67 11.378 5.403 4.956 500 H CYS 68 HN CYS 68 5.478 5.231 7.943 501 HA CYS 68 HA CYS 68 3.691 5.466 5.641 502 HB2 CYS 68 HB2 CYS 68 4.728 3.007 6.843 503 HB3 CYS 68 HB3 CYS 68 2.977 3.055 6.843 504 H HIS 69 HN HIS 69 3.854 4.295 9.094 505 HA HIS 69 HA HIS 69 1.216 5.189 9.612 506 HB2 HIS 69 HB2 HIS 69 3.420 4.289 11.489 507 HB3 HIS 69 HB3 HIS 69 1.748 4.548 11.948 508 HD1 HIS 69 HD1 HIS 69 -0.056 2.943 10.611 509 HD2 HIS 69 HD2 HIS 69 3.968 1.756 10.582 510 HE1 HIS 69 HE1 HIS 69 -0.043 0.473 9.970 511 H LYS 70 HN LYS 70 0.711 7.326 9.635 512 HA LYS 70 HA LYS 70 2.398 9.040 11.289 513 HB2 LYS 70 HB2 LYS 70 1.582 9.645 8.434 514 HB3 LYS 70 HB3 LYS 70 2.202 10.843 9.551 515 HG2 LYS 70 HG2 LYS 70 3.687 8.276 8.816 516 HG3 LYS 70 HG3 LYS 70 3.961 9.819 8.032 517 HD2 LYS 70 HD2 LYS 70 4.057 10.097 10.953 518 HD3 LYS 70 HD3 LYS 70 5.189 8.878 10.403 519 HE2 LYS 70 HE2 LYS 70 5.554 10.921 8.531 520 HE3 LYS 70 HE3 LYS 70 5.249 11.814 10.008 521 HZ1 LYS 70 HZ1 LYS 70 7.394 11.380 10.487 522 HZ2 LYS 70 HZ2 LYS 70 6.979 9.833 10.776 523 H LYS 71 HN LYS 71 1.061 9.625 12.913 524 HA LYS 71 HA LYS 71 -1.681 9.437 12.846 525 HB2 LYS 71 HB2 LYS 71 -0.003 9.743 14.810 526 HB3 LYS 71 HB3 LYS 71 -0.240 11.460 14.553 527 HG2 LYS 71 HG2 LYS 71 -2.841 10.227 14.507 528 HG3 LYS 71 HG3 LYS 71 -1.987 9.583 15.895 529 HD2 LYS 71 HD2 LYS 71 -1.750 11.693 16.913 530 HD3 LYS 71 HD3 LYS 71 -1.855 12.559 15.393 531 HE2 LYS 71 HE2 LYS 71 -4.338 11.375 15.450 532 HE3 LYS 71 HE3 LYS 71 -4.047 11.566 17.167 533 HZ1 LYS 71 HZ1 LYS 71 -3.598 13.935 16.765 534 HZ2 LYS 71 HZ2 LYS 71 -3.865 13.759 15.169 Start of MODEL 14 1 H1 ALA 1 HN ALA 1 -13.217 11.512 -3.036 2 HA ALA 1 HA ALA 1 -10.945 11.350 -4.240 3 HB1 ALA 1 HB1 ALA 1 -11.667 12.102 -1.750 4 HB2 ALA 1 HB2 ALA 1 -10.674 10.682 -1.341 5 HB3 ALA 1 HB3 ALA 1 -9.968 12.022 -2.276 6 H ASP 2 HN ASP 2 -9.042 10.013 -4.407 7 HA ASP 2 HA ASP 2 -9.743 7.263 -4.551 8 HB2 ASP 2 HB2 ASP 2 -7.915 8.970 -5.834 9 HB3 ASP 2 HB3 ASP 2 -6.884 7.936 -4.865 10 HD2 ASP 2 HD2 ASP 2 -9.509 7.745 -7.065 11 H ASP 3 HN ASP 3 -7.765 9.468 -2.528 12 HA ASP 3 HA ASP 3 -6.065 7.940 -1.248 13 HB2 ASP 3 HB2 ASP 3 -6.509 10.300 -0.666 14 HB3 ASP 3 HB3 ASP 3 -8.056 9.867 0.036 15 HD2 ASP 3 HD2 ASP 3 -5.861 10.227 2.835 16 H ILE 4 HN ILE 4 -6.260 5.870 -0.380 17 HA ILE 4 HA ILE 4 -8.842 5.170 0.823 18 HB ILE 4 HB ILE 4 -6.844 3.698 -0.798 19 HG12 ILE 4 HG12 ILE 4 -9.862 3.598 -0.528 20 HG13 ILE 4 HG13 ILE 4 -8.954 4.432 -1.774 21 HG21 ILE 4 HG21 ILE 4 -8.114 1.574 0.237 22 HG22 ILE 4 HG22 ILE 4 -6.552 2.171 0.847 23 HG23 ILE 4 HG23 ILE 4 -8.061 2.611 1.683 24 HD11 ILE 4 HD11 ILE 4 -8.964 2.532 -3.000 25 HD12 ILE 4 HD12 ILE 4 -7.964 1.756 -1.748 26 HD13 ILE 4 HD13 ILE 4 -9.738 1.644 -1.665 27 H VAL 5 HN VAL 5 -8.380 6.202 2.851 28 HA VAL 5 HA VAL 5 -6.014 5.680 4.275 29 HB VAL 5 HB VAL 5 -8.742 6.494 5.295 30 HG11 VAL 5 HG11 VAL 5 -7.756 7.151 7.265 31 HG12 VAL 5 HG12 VAL 5 -6.740 5.746 6.863 32 HG13 VAL 5 HG13 VAL 5 -6.158 7.393 6.518 33 HG21 VAL 5 HG21 VAL 5 -7.397 7.827 3.360 34 HG22 VAL 5 HG22 VAL 5 -8.413 8.623 4.586 35 HG23 VAL 5 HG23 VAL 5 -6.649 8.543 4.808 36 H LEU 6 HN LEU 6 -5.368 3.923 5.420 37 HA LEU 6 HA LEU 6 -7.315 1.770 5.694 38 HB2 LEU 6 HB2 LEU 6 -4.303 1.842 5.881 39 HB3 LEU 6 HB3 LEU 6 -5.270 0.420 6.216 40 HG LEU 6 HG LEU 6 -5.382 1.861 3.561 41 HD11 LEU 6 HD11 LEU 6 -3.124 1.280 3.654 42 HD12 LEU 6 HD12 LEU 6 -3.448 -0.242 4.517 43 HD13 LEU 6 HD13 LEU 6 -3.882 -0.084 2.798 44 HD21 LEU 6 HD21 LEU 6 -5.864 -1.016 3.615 45 HD22 LEU 6 HD22 LEU 6 -7.000 -0.108 4.641 46 HD23 LEU 6 HD23 LEU 6 -6.836 0.301 2.916 47 H LYS 7 HN LYS 7 -7.620 0.664 7.727 48 HA LYS 7 HA LYS 7 -7.626 2.496 9.915 49 HB2 LYS 7 HB2 LYS 7 -8.383 -0.440 9.819 50 HB3 LYS 7 HB3 LYS 7 -8.764 0.687 11.105 51 HG2 LYS 7 HG2 LYS 7 -9.664 1.983 8.760 52 HG3 LYS 7 HG3 LYS 7 -10.098 0.303 8.515 53 HD2 LYS 7 HD2 LYS 7 -11.970 1.158 9.675 54 HD3 LYS 7 HD3 LYS 7 -11.047 0.387 10.950 55 HE2 LYS 7 HE2 LYS 7 -9.993 3.017 10.783 56 HE3 LYS 7 HE3 LYS 7 -11.726 3.218 10.614 57 HZ1 LYS 7 HZ1 LYS 7 -10.377 1.761 12.824 58 HZ2 LYS 7 HZ2 LYS 7 -11.116 3.206 12.949 59 H ALA 8 HN ALA 8 -6.015 2.852 11.339 60 HA ALA 8 HA ALA 8 -4.420 0.708 12.305 61 HB1 ALA 8 HB1 ALA 8 -2.245 1.821 11.483 62 HB2 ALA 8 HB2 ALA 8 -3.173 0.877 10.292 63 HB3 ALA 8 HB3 ALA 8 -3.265 2.654 10.285 64 H LYS 9 HN LYS 9 -4.624 1.265 14.423 65 HA LYS 9 HA LYS 9 -4.928 3.956 15.233 66 HB2 LYS 9 HB2 LYS 9 -5.093 3.081 17.432 67 HB3 LYS 9 HB3 LYS 9 -5.883 1.930 16.373 68 HG2 LYS 9 HG2 LYS 9 -4.120 0.357 16.537 69 HG3 LYS 9 HG3 LYS 9 -2.945 1.567 17.010 70 HD2 LYS 9 HD2 LYS 9 -4.585 1.840 19.124 71 HD3 LYS 9 HD3 LYS 9 -5.053 0.208 18.688 72 HE2 LYS 9 HE2 LYS 9 -2.336 -0.058 18.548 73 HE3 LYS 9 HE3 LYS 9 -2.435 1.217 19.746 74 HZ1 LYS 9 HZ1 LYS 9 -3.877 -1.375 19.935 75 HZ2 LYS 9 HZ2 LYS 9 -2.530 -0.998 20.769 76 H ASN 10 HN ASN 10 -2.228 2.180 14.175 77 HA ASN 10 HA ASN 10 -0.390 3.454 15.962 78 HB2 ASN 10 HB2 ASN 10 0.014 1.703 13.481 79 HB3 ASN 10 HB3 ASN 10 1.334 2.295 14.469 80 HD21 ASN 10 HD21 ASN 10 1.882 1.281 16.285 81 HD22 ASN 10 HD22 ASN 10 1.065 -0.082 16.976 82 H GLY 11 HN GLY 11 -2.237 4.495 13.410 83 HA2 GLY 11 HA1 GLY 11 -1.719 6.813 12.744 84 HA3 GLY 11 HA2 GLY 11 -0.112 6.251 12.331 85 H ASP 12 HN ASP 12 -3.256 6.844 11.150 86 HA ASP 12 HA ASP 12 -3.868 4.952 9.408 87 HB2 ASP 12 HB2 ASP 12 -4.097 7.902 9.471 88 HB3 ASP 12 HB3 ASP 12 -4.140 7.262 7.840 89 HD2 ASP 12 HD2 ASP 12 -6.355 8.301 8.307 90 H VAL 13 HN VAL 13 -3.328 4.519 7.103 91 HA VAL 13 HA VAL 13 -0.669 5.533 6.363 92 HB VAL 13 HB VAL 13 -1.859 2.804 5.829 93 HG11 VAL 13 HG11 VAL 13 0.510 2.280 5.117 94 HG12 VAL 13 HG12 VAL 13 -0.388 3.372 4.036 95 HG13 VAL 13 HG13 VAL 13 0.830 4.031 5.155 96 HG21 VAL 13 HG21 VAL 13 -0.989 3.589 8.244 97 HG22 VAL 13 HG22 VAL 13 -0.733 1.944 7.615 98 HG23 VAL 13 HG23 VAL 13 0.575 3.147 7.516 99 H LYS 14 HN LYS 14 -1.691 7.308 5.228 100 HA LYS 14 HA LYS 14 -3.718 6.956 3.357 101 HB2 LYS 14 HB2 LYS 14 -3.293 9.135 4.155 102 HB3 LYS 14 HB3 LYS 14 -1.587 9.053 3.763 103 HG2 LYS 14 HG2 LYS 14 -2.828 8.568 1.293 104 HG3 LYS 14 HG3 LYS 14 -3.873 9.764 2.034 105 HD2 LYS 14 HD2 LYS 14 -2.367 11.292 1.254 106 HD3 LYS 14 HD3 LYS 14 -1.386 10.813 2.625 107 HE2 LYS 14 HE2 LYS 14 -0.998 8.890 0.482 108 HE3 LYS 14 HE3 LYS 14 -0.782 10.505 -0.163 109 HZ1 LYS 14 HZ1 LYS 14 0.940 9.076 1.583 110 HZ2 LYS 14 HZ2 LYS 14 1.231 10.477 0.805 111 H LEU 15 HN LEU 15 -3.718 5.672 1.598 112 HA LEU 15 HA LEU 15 -1.146 5.298 0.237 113 HB2 LEU 15 HB2 LEU 15 -1.809 3.207 0.908 114 HB3 LEU 15 HB3 LEU 15 -3.517 3.551 0.712 115 HG LEU 15 HG LEU 15 -2.772 3.700 -1.870 116 HD11 LEU 15 HD11 LEU 15 -0.394 2.927 -0.789 117 HD12 LEU 15 HD12 LEU 15 -1.110 1.355 -1.217 118 HD13 LEU 15 HD13 LEU 15 -0.904 2.608 -2.465 119 HD21 LEU 15 HD21 LEU 15 -3.118 0.902 -1.101 120 HD22 LEU 15 HD22 LEU 15 -4.270 1.994 -0.295 121 HD23 LEU 15 HD23 LEU 15 -4.162 1.968 -2.072 122 HA PRO 16 HA PRO 16 -2.959 8.185 -2.658 123 HB2 PRO 16 HB2 PRO 16 -0.334 7.600 -4.003 124 HB3 PRO 16 HB3 PRO 16 -1.068 9.157 -3.499 125 HG2 PRO 16 HG2 PRO 16 1.042 8.097 -2.053 126 HG3 PRO 16 HG3 PRO 16 -0.391 9.036 -1.523 127 HD2 PRO 16 HD2 PRO 16 0.099 6.009 -1.475 128 HD3 PRO 16 HD3 PRO 16 -0.500 7.063 -0.159 129 H HIS 17 HN HIS 17 -4.338 5.950 -2.938 130 HA HIS 17 HA HIS 17 -3.697 4.017 -4.673 131 HB2 HIS 17 HB2 HIS 17 -5.845 4.354 -3.387 132 HB3 HIS 17 HB3 HIS 17 -6.377 5.426 -4.667 133 HD1 HIS 17 HD1 HIS 17 -7.685 4.331 -6.492 134 HD2 HIS 17 HD2 HIS 17 -5.174 1.620 -4.506 135 HE1 HIS 17 HE1 HIS 17 -8.176 2.036 -7.494 136 H LYS 18 HN LYS 18 -5.050 7.260 -5.586 137 HA LYS 18 HA LYS 18 -5.048 6.850 -8.316 138 HB2 LYS 18 HB2 LYS 18 -6.194 8.704 -7.239 139 HB3 LYS 18 HB3 LYS 18 -4.673 9.396 -6.714 140 HG2 LYS 18 HG2 LYS 18 -4.083 9.285 -9.323 141 HG3 LYS 18 HG3 LYS 18 -5.825 9.246 -9.504 142 HD2 LYS 18 HD2 LYS 18 -5.909 11.487 -9.191 143 HD3 LYS 18 HD3 LYS 18 -5.262 11.287 -7.575 144 HE2 LYS 18 HE2 LYS 18 -2.975 10.987 -9.116 145 HE3 LYS 18 HE3 LYS 18 -3.884 12.142 -10.071 146 HZ1 LYS 18 HZ1 LYS 18 -2.385 12.913 -8.053 147 HZ2 LYS 18 HZ2 LYS 18 -3.760 13.709 -8.409 148 H ALA 19 HN ALA 19 -2.486 8.439 -6.281 149 HA ALA 19 HA ALA 19 -0.657 8.811 -8.301 150 HB1 ALA 19 HB1 ALA 19 -0.808 9.142 -5.520 151 HB2 ALA 19 HB2 ALA 19 0.581 8.057 -5.766 152 HB3 ALA 19 HB3 ALA 19 0.534 9.639 -6.578 153 H HIS 20 HN HIS 20 -1.140 5.951 -6.128 154 HA HIS 20 HA HIS 20 0.980 4.489 -7.216 155 HB2 HIS 20 HB2 HIS 20 -1.419 3.876 -5.531 156 HB3 HIS 20 HB3 HIS 20 -0.533 2.541 -6.238 157 HD1 HIS 20 HD1 HIS 20 -0.060 5.453 -3.840 158 HD2 HIS 20 HD2 HIS 20 1.884 1.924 -5.004 159 HE1 HIS 20 HE1 HIS 20 1.850 5.110 -2.184 160 H GLN 21 HN GLN 21 -2.320 5.139 -8.285 161 HA GLN 21 HA GLN 21 -2.478 2.911 -10.000 162 HB2 GLN 21 HB2 GLN 21 -4.045 5.458 -9.605 163 HB3 GLN 21 HB3 GLN 21 -4.324 4.526 -11.063 164 HG2 GLN 21 HG2 GLN 21 -4.916 2.538 -9.770 165 HG3 GLN 21 HG3 GLN 21 -4.407 3.293 -8.273 166 HE21 GLN 21 HE21 GLN 21 -7.013 2.224 -9.436 167 HE22 GLN 21 HE22 GLN 21 -8.191 3.453 -9.113 168 H LYS 22 HN LYS 22 -0.823 5.965 -10.119 169 HA LYS 22 HA LYS 22 -0.594 5.787 -13.033 170 HB2 LYS 22 HB2 LYS 22 -0.914 7.969 -11.212 171 HB3 LYS 22 HB3 LYS 22 0.658 8.128 -11.969 172 HG2 LYS 22 HG2 LYS 22 -1.946 7.654 -13.497 173 HG3 LYS 22 HG3 LYS 22 -1.209 9.228 -13.270 174 HD2 LYS 22 HD2 LYS 22 0.947 8.076 -14.300 175 HD3 LYS 22 HD3 LYS 22 -0.188 6.882 -14.897 176 HE2 LYS 22 HE2 LYS 22 -1.088 9.670 -15.356 177 HE3 LYS 22 HE3 LYS 22 0.430 9.299 -16.149 178 HZ1 LYS 22 HZ1 LYS 22 -1.991 8.636 -17.137 179 HZ2 LYS 22 HZ2 LYS 22 -0.609 7.893 -17.573 180 H ALA 23 HN ALA 23 1.169 5.621 -9.938 181 HA ALA 23 HA ALA 23 3.742 5.602 -11.152 182 HB1 ALA 23 HB1 ALA 23 3.802 4.346 -8.602 183 HB2 ALA 23 HB2 ALA 23 4.231 6.026 -9.002 184 HB3 ALA 23 HB3 ALA 23 2.567 5.625 -8.513 185 H VAL 24 HN VAL 24 1.281 3.171 -10.230 186 HA VAL 24 HA VAL 24 3.089 1.100 -11.267 187 HB VAL 24 HB VAL 24 0.875 1.067 -9.226 188 HG11 VAL 24 HG11 VAL 24 0.521 -0.821 -10.790 189 HG12 VAL 24 HG12 VAL 24 2.188 -1.365 -10.485 190 HG13 VAL 24 HG13 VAL 24 0.997 -1.364 -9.163 191 HG21 VAL 24 HG21 VAL 24 3.419 -0.353 -8.746 192 HG22 VAL 24 HG22 VAL 24 3.574 1.409 -8.941 193 HG23 VAL 24 HG23 VAL 24 2.496 0.744 -7.691 194 HA PRO 25 HA PRO 25 0.045 1.498 -14.583 195 HB2 PRO 25 HB2 PRO 25 1.755 0.789 -16.587 196 HB3 PRO 25 HB3 PRO 25 1.814 2.408 -15.817 197 HG2 PRO 25 HG2 PRO 25 3.372 0.083 -15.324 198 HG3 PRO 25 HG3 PRO 25 4.089 1.720 -15.469 199 HD2 PRO 25 HD2 PRO 25 3.689 0.543 -13.039 200 HD3 PRO 25 HD3 PRO 25 3.390 2.293 -13.264 201 H ASP 26 HN ASP 26 -0.164 -0.674 -12.781 202 HA ASP 26 HA ASP 26 -0.845 -2.701 -14.610 203 HB2 ASP 26 HB2 ASP 26 1.184 -3.556 -12.520 204 HB3 ASP 26 HB3 ASP 26 0.638 -4.449 -13.925 205 HD2 ASP 26 HD2 ASP 26 1.300 -2.883 -16.048 206 H CYS 27 HN CYS 27 -2.898 -2.239 -13.487 207 HA CYS 27 HA CYS 27 -3.077 -2.399 -10.677 208 HB2 CYS 27 HB2 CYS 27 -5.456 -2.855 -12.424 209 HB3 CYS 27 HB3 CYS 27 -5.320 -1.957 -10.925 210 H LYS 28 HN LYS 28 -1.658 -4.558 -10.904 211 HA LYS 28 HA LYS 28 -3.563 -6.736 -10.613 212 HB2 LYS 28 HB2 LYS 28 -1.697 -8.116 -11.930 213 HB3 LYS 28 HB3 LYS 28 -3.072 -7.383 -12.730 214 HG2 LYS 28 HG2 LYS 28 -1.710 -5.368 -13.267 215 HG3 LYS 28 HG3 LYS 28 -0.336 -6.057 -12.425 216 HD2 LYS 28 HD2 LYS 28 0.271 -6.998 -14.401 217 HD3 LYS 28 HD3 LYS 28 -1.076 -8.100 -14.197 218 HE2 LYS 28 HE2 LYS 28 -1.450 -5.352 -15.457 219 HE3 LYS 28 HE3 LYS 28 -0.957 -6.736 -16.413 220 HZ1 LYS 28 HZ1 LYS 28 -2.983 -7.820 -15.977 221 HZ2 LYS 28 HZ2 LYS 28 -3.349 -6.900 -14.684 222 H LYS 29 HN LYS 29 -0.067 -5.760 -10.522 223 HA LYS 29 HA LYS 29 0.791 -7.636 -8.723 224 HB2 LYS 29 HB2 LYS 29 2.337 -6.237 -9.900 225 HB3 LYS 29 HB3 LYS 29 1.668 -4.779 -9.196 226 HG2 LYS 29 HG2 LYS 29 3.596 -5.164 -7.881 227 HG3 LYS 29 HG3 LYS 29 2.308 -5.814 -6.886 228 HD2 LYS 29 HD2 LYS 29 3.070 -7.966 -7.079 229 HD3 LYS 29 HD3 LYS 29 3.403 -7.799 -8.792 230 HE2 LYS 29 HE2 LYS 29 5.513 -6.592 -8.300 231 HE3 LYS 29 HE3 LYS 29 5.168 -6.636 -6.583 232 HZ1 LYS 29 HZ1 LYS 29 6.213 -8.612 -6.576 233 HZ2 LYS 29 HZ2 LYS 29 4.984 -9.260 -7.425 234 H CYS 30 HN CYS 30 -1.411 -4.961 -8.249 235 HA CYS 30 HA CYS 30 -1.106 -5.234 -5.357 236 HB2 CYS 30 HB2 CYS 30 -1.740 -2.990 -7.122 237 HB3 CYS 30 HB3 CYS 30 -2.913 -3.161 -5.831 238 H HIS 31 HN HIS 31 -3.266 -5.611 -8.177 239 HA HIS 31 HA HIS 31 -5.311 -6.672 -6.369 240 HB2 HIS 31 HB2 HIS 31 -5.535 -5.396 -9.102 241 HB3 HIS 31 HB3 HIS 31 -6.848 -6.286 -8.357 242 HD1 HIS 31 HD1 HIS 31 -7.561 -5.302 -5.846 243 HD2 HIS 31 HD2 HIS 31 -5.489 -2.740 -8.442 244 HE1 HIS 31 HE1 HIS 31 -7.964 -2.934 -4.986 245 H GLU 32 HN GLU 32 -5.144 -8.855 -6.219 246 HA GLU 32 HA GLU 32 -3.911 -10.314 -8.315 247 HB2 GLU 32 HB2 GLU 32 -3.534 -11.024 -6.031 248 HB3 GLU 32 HB3 GLU 32 -5.253 -11.129 -5.708 249 HG2 GLU 32 HG2 GLU 32 -5.253 -13.287 -6.394 250 HG3 GLU 32 HG3 GLU 32 -4.761 -12.778 -7.998 251 HE2 GLU 32 HE2 GLU 32 -3.608 -13.639 -4.926 252 H LYS 33 HN LYS 33 -6.763 -11.731 -6.768 253 HA LYS 33 HA LYS 33 -7.865 -12.834 -8.934 254 HB2 LYS 33 HB2 LYS 33 -9.066 -11.738 -6.408 255 HB3 LYS 33 HB3 LYS 33 -10.118 -12.389 -7.649 256 HG2 LYS 33 HG2 LYS 33 -7.956 -14.246 -7.383 257 HG3 LYS 33 HG3 LYS 33 -8.437 -13.818 -5.752 258 HD2 LYS 33 HD2 LYS 33 -10.552 -14.753 -5.970 259 HD3 LYS 33 HD3 LYS 33 -10.671 -14.366 -7.675 260 HE2 LYS 33 HE2 LYS 33 -10.329 -16.633 -7.918 261 HE3 LYS 33 HE3 LYS 33 -8.642 -16.170 -7.811 262 HZ1 LYS 33 HZ1 LYS 33 -8.515 -17.410 -5.960 263 HZ2 LYS 33 HZ2 LYS 33 -9.584 -16.449 -5.195 264 H GLY 34 HN GLY 34 -7.882 -9.392 -8.087 265 HA2 GLY 34 HA1 GLY 34 -8.212 -8.340 -10.526 266 HA3 GLY 34 HA2 GLY 34 -9.865 -8.740 -10.104 267 HA PRO 35 HA PRO 35 -8.603 -4.516 -8.415 268 HB2 PRO 35 HB2 PRO 35 -10.998 -3.744 -10.067 269 HB3 PRO 35 HB3 PRO 35 -9.381 -2.981 -9.924 270 HG2 PRO 35 HG2 PRO 35 -9.674 -4.579 -12.387 271 HG3 PRO 35 HG3 PRO 35 -8.470 -4.332 -11.080 272 HD2 PRO 35 HD2 PRO 35 -10.759 -6.404 -11.056 273 HD3 PRO 35 HD3 PRO 35 -9.051 -6.783 -11.434 274 H GLY 36 HN GLY 36 -9.409 -4.158 -6.348 275 HA2 GLY 36 HA1 GLY 36 -11.722 -3.516 -5.410 276 HA3 GLY 36 HA2 GLY 36 -12.109 -5.184 -5.784 277 H LYS 37 HN LYS 37 -12.436 -5.737 -3.553 278 HA LYS 37 HA LYS 37 -10.540 -5.195 -1.565 279 HB2 LYS 37 HB2 LYS 37 -11.891 -6.482 -0.167 280 HB3 LYS 37 HB3 LYS 37 -13.014 -5.838 -1.347 281 HG2 LYS 37 HG2 LYS 37 -12.960 -7.951 -2.622 282 HG3 LYS 37 HG3 LYS 37 -11.720 -8.596 -1.565 283 HD2 LYS 37 HD2 LYS 37 -14.309 -7.638 -0.333 284 HD3 LYS 37 HD3 LYS 37 -14.304 -9.174 -1.176 285 HE2 LYS 37 HE2 LYS 37 -12.120 -8.621 0.845 286 HE3 LYS 37 HE3 LYS 37 -13.719 -9.043 1.428 287 HZ1 LYS 37 HZ1 LYS 37 -12.882 -11.134 1.129 288 HZ2 LYS 37 HZ2 LYS 37 -13.389 -10.937 -0.406 289 H ILE 38 HN ILE 38 -8.941 -6.540 -0.580 290 HA ILE 38 HA ILE 38 -8.010 -8.663 -2.385 291 HB ILE 38 HB ILE 38 -6.359 -6.930 -0.545 292 HG12 ILE 38 HG12 ILE 38 -6.547 -6.723 -3.559 293 HG13 ILE 38 HG13 ILE 38 -7.481 -5.714 -2.473 294 HG21 ILE 38 HG21 ILE 38 -4.604 -8.212 -1.034 295 HG22 ILE 38 HG22 ILE 38 -5.779 -9.412 -1.624 296 HG23 ILE 38 HG23 ILE 38 -5.021 -8.274 -2.764 297 HD11 ILE 38 HD11 ILE 38 -5.661 -4.464 -1.845 298 HD12 ILE 38 HD12 ILE 38 -4.572 -5.872 -1.836 299 HD13 ILE 38 HD13 ILE 38 -4.977 -5.069 -3.372 300 H GLU 39 HN GLU 39 -7.744 -10.700 -1.563 301 HA GLU 39 HA GLU 39 -8.519 -10.984 1.214 302 HB2 GLU 39 HB2 GLU 39 -8.743 -13.444 0.556 303 HB3 GLU 39 HB3 GLU 39 -9.849 -12.340 -0.237 304 HG2 GLU 39 HG2 GLU 39 -8.951 -12.733 -2.303 305 HG3 GLU 39 HG3 GLU 39 -7.306 -12.622 -1.711 306 HE2 GLU 39 HE2 GLU 39 -9.309 -15.868 -2.352 307 H GLY 40 HN GLY 40 -6.922 -11.173 2.719 308 HA2 GLY 40 HA1 GLY 40 -5.135 -12.738 3.405 309 HA3 GLY 40 HA2 GLY 40 -4.382 -12.425 1.854 310 H PHE 41 HN PHE 41 -4.812 -9.617 1.587 311 HA PHE 41 HA PHE 41 -2.692 -8.666 3.172 312 HB2 PHE 41 HB2 PHE 41 -3.400 -7.887 0.857 313 HB3 PHE 41 HB3 PHE 41 -4.891 -7.265 1.535 314 HD1 PHE 41 HD1 PHE 41 -4.703 -5.410 3.301 315 HD2 PHE 41 HD2 PHE 41 -1.491 -6.539 0.768 316 HE1 PHE 41 HE1 PHE 41 -3.587 -3.203 3.732 317 HE2 PHE 41 HE2 PHE 41 -0.375 -4.332 1.199 318 HZ PHE 41 HZ PHE 41 -1.437 -2.691 2.675 319 H GLY 42 HN GLY 42 -2.642 -7.396 5.024 320 HA2 GLY 42 HA1 GLY 42 -4.954 -6.078 6.045 321 HA3 GLY 42 HA2 GLY 42 -4.660 -7.584 6.892 322 H LYS 43 HN LYS 43 -1.735 -7.599 6.610 323 HA LYS 43 HA LYS 43 -0.795 -5.137 7.736 324 HB2 LYS 43 HB2 LYS 43 -1.924 -6.269 9.673 325 HB3 LYS 43 HB3 LYS 43 -0.793 -7.596 9.507 326 HG2 LYS 43 HG2 LYS 43 0.752 -5.172 9.488 327 HG3 LYS 43 HG3 LYS 43 -0.395 -5.037 10.807 328 HD2 LYS 43 HD2 LYS 43 0.393 -7.584 11.256 329 HD3 LYS 43 HD3 LYS 43 1.829 -7.031 10.416 330 HE2 LYS 43 HE2 LYS 43 2.036 -5.121 12.022 331 HE3 LYS 43 HE3 LYS 43 0.598 -5.669 12.861 332 HZ1 LYS 43 HZ1 LYS 43 3.128 -6.493 13.418 333 HZ2 LYS 43 HZ2 LYS 43 1.781 -7.269 13.903 334 H GLU 44 HN GLU 44 0.310 -8.542 8.221 335 HA GLU 44 HA GLU 44 2.860 -8.254 7.723 336 HB2 GLU 44 HB2 GLU 44 2.126 -10.437 8.233 337 HB3 GLU 44 HB3 GLU 44 0.962 -10.467 6.923 338 HG2 GLU 44 HG2 GLU 44 2.573 -11.727 5.874 339 HG3 GLU 44 HG3 GLU 44 3.242 -10.160 5.461 340 HE2 GLU 44 HE2 GLU 44 3.849 -12.924 7.559 341 H MET 45 HN MET 45 0.417 -8.782 5.082 342 HA MET 45 HA MET 45 2.069 -8.757 2.962 343 HB2 MET 45 HB2 MET 45 -0.731 -7.644 3.430 344 HB3 MET 45 HB3 MET 45 -0.001 -7.503 1.843 345 HG2 MET 45 HG2 MET 45 -0.428 -10.116 3.373 346 HG3 MET 45 HG3 MET 45 -1.387 -9.564 2.014 347 HE1 MET 45 HE1 MET 45 -1.155 -11.625 1.157 348 HE2 MET 45 HE2 MET 45 -0.431 -11.301 -0.436 349 HE3 MET 45 HE3 MET 45 0.313 -12.496 0.653 350 H ALA 46 HN ALA 46 0.548 -5.838 4.507 351 HA ALA 46 HA ALA 46 1.719 -3.969 2.816 352 HB1 ALA 46 HB1 ALA 46 1.319 -3.165 5.637 353 HB2 ALA 46 HB2 ALA 46 0.609 -2.501 4.146 354 HB3 ALA 46 HB3 ALA 46 -0.086 -3.962 4.889 355 H HIS 47 HN HIS 47 2.841 -5.435 5.922 356 HA HIS 47 HA HIS 47 5.228 -3.871 5.896 357 HB2 HIS 47 HB2 HIS 47 4.421 -6.261 7.576 358 HB3 HIS 47 HB3 HIS 47 5.838 -5.267 7.850 359 HD1 HIS 47 HD1 HIS 47 2.922 -5.704 9.512 360 HD2 HIS 47 HD2 HIS 47 4.507 -2.277 7.684 361 HE1 HIS 47 HE1 HIS 47 1.796 -3.709 10.636 362 H GLY 48 HN GLY 48 4.244 -6.135 3.792 363 HA2 GLY 48 HA1 GLY 48 6.974 -6.977 3.220 364 HA3 GLY 48 HA2 GLY 48 5.828 -8.253 3.578 365 H LYS 49 HN LYS 49 5.517 -9.203 1.571 366 HA LYS 49 HA LYS 49 5.428 -7.774 -0.825 367 HB2 LYS 49 HB2 LYS 49 5.812 -10.305 -0.319 368 HB3 LYS 49 HB3 LYS 49 4.068 -10.430 -0.424 369 HG2 LYS 49 HG2 LYS 49 5.256 -8.845 -2.630 370 HG3 LYS 49 HG3 LYS 49 5.829 -10.501 -2.586 371 HD2 LYS 49 HD2 LYS 49 3.895 -11.151 -3.572 372 HD3 LYS 49 HD3 LYS 49 3.036 -10.687 -2.117 373 HE2 LYS 49 HE2 LYS 49 3.424 -8.222 -3.336 374 HE3 LYS 49 HE3 LYS 49 3.233 -9.272 -4.726 375 HZ1 LYS 49 HZ1 LYS 49 1.162 -10.124 -3.631 376 HZ2 LYS 49 HZ2 LYS 49 1.315 -8.983 -2.479 377 H GLY 50 HN GLY 50 4.057 -5.926 -0.331 378 HA2 GLY 50 HA1 GLY 50 1.400 -6.282 -1.224 379 HA3 GLY 50 HA2 GLY 50 1.410 -6.100 0.519 380 H CYS 51 HN CYS 51 3.542 -4.317 0.955 381 HA CYS 51 HA CYS 51 2.897 -2.023 -0.725 382 HB2 CYS 51 HB2 CYS 51 2.929 -1.896 2.296 383 HB3 CYS 51 HB3 CYS 51 2.640 -0.568 1.191 384 H LYS 52 HN LYS 52 4.850 -3.252 2.094 385 HA LYS 52 HA LYS 52 7.034 -1.541 1.517 386 HB2 LYS 52 HB2 LYS 52 6.199 -3.205 3.632 387 HB3 LYS 52 HB3 LYS 52 7.731 -3.866 3.099 388 HG2 LYS 52 HG2 LYS 52 7.480 -0.870 3.429 389 HG3 LYS 52 HG3 LYS 52 7.644 -1.863 4.864 390 HD2 LYS 52 HD2 LYS 52 9.552 -2.213 2.525 391 HD3 LYS 52 HD3 LYS 52 9.815 -0.941 3.702 392 HE2 LYS 52 HE2 LYS 52 9.227 -3.510 5.012 393 HE3 LYS 52 HE3 LYS 52 10.608 -3.639 3.941 394 HZ1 LYS 52 HZ1 LYS 52 10.862 -1.238 5.363 395 HZ2 LYS 52 HZ2 LYS 52 10.511 -2.393 6.456 396 H GLY 53 HN GLY 53 6.377 -5.067 0.989 397 HA2 GLY 53 HA1 GLY 53 8.643 -6.007 -0.043 398 HA3 GLY 53 HA2 GLY 53 7.077 -6.371 -0.739 399 H CYS 54 HN CYS 54 6.302 -3.907 -1.861 400 HA CYS 54 HA CYS 54 7.944 -3.913 -4.179 401 HB2 CYS 54 HB2 CYS 54 5.449 -3.647 -4.203 402 HB3 CYS 54 HB3 CYS 54 5.642 -2.055 -3.497 403 H HIS 55 HN HIS 55 7.275 -1.718 -1.390 404 HA HIS 55 HA HIS 55 8.727 0.458 -2.305 405 HB2 HIS 55 HB2 HIS 55 8.137 -0.492 0.511 406 HB3 HIS 55 HB3 HIS 55 8.835 1.069 0.129 407 HD1 HIS 55 HD1 HIS 55 6.090 0.845 1.564 408 HD2 HIS 55 HD2 HIS 55 6.565 1.260 -2.583 409 HE1 HIS 55 HE1 HIS 55 3.904 1.830 0.689 410 H GLU 56 HN GLU 56 9.715 -2.444 -0.397 411 HA GLU 56 HA GLU 56 12.389 -1.491 -0.220 412 HB2 GLU 56 HB2 GLU 56 12.733 -3.929 0.659 413 HB3 GLU 56 HB3 GLU 56 11.781 -2.816 1.619 414 HG2 GLU 56 HG2 GLU 56 9.827 -3.973 1.271 415 HG3 GLU 56 HG3 GLU 56 10.193 -4.290 -0.414 416 HE2 GLU 56 HE2 GLU 56 11.027 -7.531 0.375 417 H GLU 57 HN GLU 57 10.459 -3.434 -2.436 418 HA GLU 57 HA GLU 57 12.710 -4.712 -3.606 419 HB2 GLU 57 HB2 GLU 57 10.619 -5.887 -3.705 420 HB3 GLU 57 HB3 GLU 57 9.772 -4.496 -4.351 421 HG2 GLU 57 HG2 GLU 57 10.242 -6.183 -6.122 422 HG3 GLU 57 HG3 GLU 57 11.020 -4.652 -6.469 423 HE2 GLU 57 HE2 GLU 57 13.071 -5.001 -7.126 424 H MET 58 HN MET 58 10.783 -1.759 -4.141 425 HA MET 58 HA MET 58 12.229 -1.285 -6.606 426 HB2 MET 58 HB2 MET 58 9.903 0.167 -5.228 427 HB3 MET 58 HB3 MET 58 10.595 0.686 -6.752 428 HG2 MET 58 HG2 MET 58 10.124 -1.845 -7.478 429 HG3 MET 58 HG3 MET 58 8.974 -1.799 -6.156 430 HE1 MET 58 HE1 MET 58 9.737 -1.394 -9.507 431 HE2 MET 58 HE2 MET 58 8.044 -1.936 -9.602 432 HE3 MET 58 HE3 MET 58 8.513 -0.359 -10.281 433 H LYS 59 HN LYS 59 11.680 0.075 -3.315 434 HA LYS 59 HA LYS 59 12.998 1.354 -2.066 435 HB2 LYS 59 HB2 LYS 59 14.986 1.518 -4.343 436 HB3 LYS 59 HB3 LYS 59 15.276 1.832 -2.644 437 HG2 LYS 59 HG2 LYS 59 14.167 -0.870 -3.385 438 HG3 LYS 59 HG3 LYS 59 15.845 -0.551 -3.779 439 HD2 LYS 59 HD2 LYS 59 15.107 0.313 -1.040 440 HD3 LYS 59 HD3 LYS 59 14.899 -1.407 -1.298 441 HE2 LYS 59 HE2 LYS 59 17.231 -1.631 -2.062 442 HE3 LYS 59 HE3 LYS 59 17.459 0.105 -2.000 443 HZ1 LYS 59 HZ1 LYS 59 16.532 -0.669 0.512 444 HZ2 LYS 59 HZ2 LYS 59 17.692 -1.743 0.121 445 H LYS 60 HN LYS 60 10.784 2.402 -3.256 446 HA LYS 60 HA LYS 60 11.709 5.110 -3.876 447 HB2 LYS 60 HB2 LYS 60 10.005 3.332 -5.544 448 HB3 LYS 60 HB3 LYS 60 9.469 4.993 -5.385 449 HG2 LYS 60 HG2 LYS 60 11.262 5.836 -6.565 450 HG3 LYS 60 HG3 LYS 60 12.392 4.683 -5.883 451 HD2 LYS 60 HD2 LYS 60 11.396 2.886 -7.352 452 HD3 LYS 60 HD3 LYS 60 10.345 4.089 -8.072 453 HE2 LYS 60 HE2 LYS 60 12.024 4.390 -9.591 454 HE3 LYS 60 HE3 LYS 60 12.815 5.317 -8.332 455 HZ1 LYS 60 HZ1 LYS 60 13.589 2.805 -9.399 456 HZ2 LYS 60 HZ2 LYS 60 14.427 3.772 -8.392 457 H GLY 61 HN GLY 61 9.030 2.922 -2.837 458 HA2 GLY 61 HA1 GLY 61 7.487 5.053 -1.706 459 HA3 GLY 61 HA2 GLY 61 7.221 3.329 -1.537 460 HA PRO 62 HA PRO 62 8.839 5.045 2.490 461 HB2 PRO 62 HB2 PRO 62 6.672 4.547 4.035 462 HB3 PRO 62 HB3 PRO 62 6.712 5.956 2.927 463 HG2 PRO 62 HG2 PRO 62 5.090 3.238 2.098 464 HG3 PRO 62 HG3 PRO 62 4.985 5.006 2.380 465 HD2 PRO 62 HD2 PRO 62 5.890 3.637 0.002 466 HD3 PRO 62 HD3 PRO 62 6.008 5.391 0.341 467 H THR 63 HN THR 63 10.068 3.649 3.777 468 HA THR 63 HA THR 63 9.088 0.891 4.012 469 HB THR 63 HB THR 63 11.720 0.415 3.760 470 HG1 THR 63 HG1 THR 63 11.864 2.900 3.546 471 HG21 THR 63 HG21 THR 63 10.983 -0.572 1.839 472 HG22 THR 63 HG22 THR 63 9.500 0.410 1.900 473 HG23 THR 63 HG23 THR 63 10.940 1.024 1.053 474 H LYS 64 HN LYS 64 9.083 3.378 5.754 475 HA LYS 64 HA LYS 64 10.471 2.096 7.994 476 HB2 LYS 64 HB2 LYS 64 11.204 4.556 6.789 477 HB3 LYS 64 HB3 LYS 64 10.434 4.960 8.311 478 HG2 LYS 64 HG2 LYS 64 12.827 4.601 8.697 479 HG3 LYS 64 HG3 LYS 64 11.923 3.329 9.495 480 HD2 LYS 64 HD2 LYS 64 12.408 1.750 7.693 481 HD3 LYS 64 HD3 LYS 64 13.101 3.014 6.698 482 HE2 LYS 64 HE2 LYS 64 15.077 3.119 7.945 483 HE3 LYS 64 HE3 LYS 64 14.300 2.612 9.431 484 HZ1 LYS 64 HZ1 LYS 64 14.038 0.365 8.289 485 HZ2 LYS 64 HZ2 LYS 64 15.075 0.892 7.149 486 H CYS 65 HN CYS 65 9.483 2.530 10.100 487 HA CYS 65 HA CYS 65 6.729 2.311 10.010 488 HB2 CYS 65 HB2 CYS 65 8.150 3.337 12.445 489 HB3 CYS 65 HB3 CYS 65 6.773 2.259 12.336 490 H GLY 66 HN GLY 66 8.946 5.110 10.467 491 HA2 GLY 66 HA1 GLY 66 6.724 6.945 10.880 492 HA3 GLY 66 HA2 GLY 66 8.438 7.310 10.916 493 H GLU 67 HN GLU 67 7.439 5.330 8.223 494 HA GLU 67 HA GLU 67 7.479 7.723 6.553 495 HB2 GLU 67 HB2 GLU 67 9.099 5.324 6.469 496 HB3 GLU 67 HB3 GLU 67 8.158 5.420 4.994 497 HG2 GLU 67 HG2 GLU 67 8.949 7.774 4.649 498 HG3 GLU 67 HG3 GLU 67 9.900 7.666 6.117 499 HE2 GLU 67 HE2 GLU 67 11.545 8.111 4.558 500 H CYS 68 HN CYS 68 5.475 5.429 7.856 501 HA CYS 68 HA CYS 68 3.720 5.564 5.522 502 HB2 CYS 68 HB2 CYS 68 4.796 3.161 6.764 503 HB3 CYS 68 HB3 CYS 68 3.046 3.180 6.843 504 H HIS 69 HN HIS 69 3.867 4.533 9.019 505 HA HIS 69 HA HIS 69 1.206 5.400 9.474 506 HB2 HIS 69 HB2 HIS 69 3.412 4.581 11.384 507 HB3 HIS 69 HB3 HIS 69 1.749 4.877 11.851 508 HD1 HIS 69 HD1 HIS 69 -0.090 3.226 10.651 509 HD2 HIS 69 HD2 HIS 69 3.925 2.017 10.530 510 HE1 HIS 69 HE1 HIS 69 -0.110 0.734 10.102 511 H LYS 70 HN LYS 70 0.667 7.528 9.412 512 HA LYS 70 HA LYS 70 2.308 9.329 11.017 513 HB2 LYS 70 HB2 LYS 70 1.527 9.802 8.127 514 HB3 LYS 70 HB3 LYS 70 2.096 11.062 9.203 515 HG2 LYS 70 HG2 LYS 70 3.654 8.506 8.589 516 HG3 LYS 70 HG3 LYS 70 3.915 10.033 7.771 517 HD2 LYS 70 HD2 LYS 70 3.937 10.434 10.665 518 HD3 LYS 70 HD3 LYS 70 5.070 9.171 10.227 519 HE2 LYS 70 HE2 LYS 70 6.420 10.608 8.982 520 HE3 LYS 70 HE3 LYS 70 5.083 11.638 8.510 521 HZ1 LYS 70 HZ1 LYS 70 5.290 11.869 11.269 522 HZ2 LYS 70 HZ2 LYS 70 6.822 11.950 10.725 523 H LYS 71 HN LYS 71 0.930 9.914 12.610 524 HA LYS 71 HA LYS 71 -1.805 9.698 12.502 525 HB2 LYS 71 HB2 LYS 71 -0.168 10.078 14.485 526 HB3 LYS 71 HB3 LYS 71 -0.412 11.785 14.173 527 HG2 LYS 71 HG2 LYS 71 -3.013 10.628 14.109 528 HG3 LYS 71 HG3 LYS 71 -2.206 9.878 15.471 529 HD2 LYS 71 HD2 LYS 71 -1.481 12.603 15.656 530 HD3 LYS 71 HD3 LYS 71 -3.164 12.640 15.170 531 HE2 LYS 71 HE2 LYS 71 -3.604 10.922 17.057 532 HE3 LYS 71 HE3 LYS 71 -1.977 11.258 17.614 533 HZ1 LYS 71 HZ1 LYS 71 -3.751 13.546 17.130 534 HZ2 LYS 71 HZ2 LYS 71 -3.996 12.670 18.481 Start of MODEL 15 1 H1 ALA 1 HN ALA 1 -13.469 11.360 -3.198 2 HA ALA 1 HA ALA 1 -11.450 11.176 -4.350 3 HB1 ALA 1 HB1 ALA 1 -11.303 12.540 -2.300 4 HB2 ALA 1 HB2 ALA 1 -10.865 11.092 -1.362 5 HB3 ALA 1 HB3 ALA 1 -9.765 11.703 -2.621 6 H ASP 2 HN ASP 2 -9.331 10.038 -4.629 7 HA ASP 2 HA ASP 2 -9.803 7.268 -4.658 8 HB2 ASP 2 HB2 ASP 2 -7.928 9.157 -5.785 9 HB3 ASP 2 HB3 ASP 2 -7.004 7.873 -5.031 10 HD2 ASP 2 HD2 ASP 2 -7.964 8.477 -8.085 11 H ASP 3 HN ASP 3 -7.784 9.570 -2.745 12 HA ASP 3 HA ASP 3 -6.065 8.086 -1.453 13 HB2 ASP 3 HB2 ASP 3 -6.686 10.515 -1.002 14 HB3 ASP 3 HB3 ASP 3 -8.007 9.944 -0.002 15 HD2 ASP 3 HD2 ASP 3 -6.731 8.090 1.673 16 H ILE 4 HN ILE 4 -6.224 6.058 -0.485 17 HA ILE 4 HA ILE 4 -8.774 5.404 0.813 18 HB ILE 4 HB ILE 4 -6.852 3.874 -0.844 19 HG12 ILE 4 HG12 ILE 4 -9.855 3.866 -0.448 20 HG13 ILE 4 HG13 ILE 4 -8.963 4.543 -1.796 21 HG21 ILE 4 HG21 ILE 4 -8.254 2.707 1.565 22 HG22 ILE 4 HG22 ILE 4 -7.744 1.726 0.170 23 HG23 ILE 4 HG23 ILE 4 -6.531 2.611 1.126 24 HD11 ILE 4 HD11 ILE 4 -9.663 2.457 -2.641 25 HD12 ILE 4 HD12 ILE 4 -8.007 2.107 -2.091 26 HD13 ILE 4 HD13 ILE 4 -9.397 1.630 -1.087 27 H VAL 5 HN VAL 5 -8.579 5.978 2.935 28 HA VAL 5 HA VAL 5 -6.044 5.672 4.260 29 HB VAL 5 HB VAL 5 -8.698 6.377 5.500 30 HG11 VAL 5 HG11 VAL 5 -5.825 7.117 6.152 31 HG12 VAL 5 HG12 VAL 5 -7.261 7.751 6.991 32 HG13 VAL 5 HG13 VAL 5 -6.880 6.013 7.068 33 HG21 VAL 5 HG21 VAL 5 -6.972 8.006 3.660 34 HG22 VAL 5 HG22 VAL 5 -8.746 7.923 3.786 35 HG23 VAL 5 HG23 VAL 5 -7.808 8.809 5.012 36 H LEU 6 HN LEU 6 -5.373 3.925 5.409 37 HA LEU 6 HA LEU 6 -7.295 1.751 5.691 38 HB2 LEU 6 HB2 LEU 6 -4.283 1.848 5.888 39 HB3 LEU 6 HB3 LEU 6 -5.246 0.415 6.189 40 HG LEU 6 HG LEU 6 -5.390 1.891 3.559 41 HD11 LEU 6 HD11 LEU 6 -3.014 1.230 4.162 42 HD12 LEU 6 HD12 LEU 6 -3.566 -0.461 4.080 43 HD13 LEU 6 HD13 LEU 6 -3.660 0.577 2.637 44 HD21 LEU 6 HD21 LEU 6 -5.720 -0.933 3.348 45 HD22 LEU 6 HD22 LEU 6 -6.752 -0.347 4.674 46 HD23 LEU 6 HD23 LEU 6 -6.907 0.360 3.048 47 H LYS 7 HN LYS 7 -7.507 0.596 7.734 48 HA LYS 7 HA LYS 7 -7.528 2.444 9.926 49 HB2 LYS 7 HB2 LYS 7 -8.284 -0.490 9.908 50 HB3 LYS 7 HB3 LYS 7 -8.739 0.717 11.094 51 HG2 LYS 7 HG2 LYS 7 -9.561 1.865 8.666 52 HG3 LYS 7 HG3 LYS 7 -9.911 0.163 8.441 53 HD2 LYS 7 HD2 LYS 7 -11.507 0.113 10.131 54 HD3 LYS 7 HD3 LYS 7 -10.694 1.333 11.090 55 HE2 LYS 7 HE2 LYS 7 -11.540 2.528 8.582 56 HE3 LYS 7 HE3 LYS 7 -12.904 1.691 9.296 57 HZ1 LYS 7 HZ1 LYS 7 -11.225 3.714 10.682 58 HZ2 LYS 7 HZ2 LYS 7 -12.751 3.943 10.161 59 H ALA 8 HN ALA 8 -5.905 2.770 11.344 60 HA ALA 8 HA ALA 8 -4.326 0.599 12.278 61 HB1 ALA 8 HB1 ALA 8 -3.418 2.063 9.940 62 HB2 ALA 8 HB2 ALA 8 -2.304 2.317 11.305 63 HB3 ALA 8 HB3 ALA 8 -2.675 0.665 10.754 64 H LYS 9 HN LYS 9 -4.620 1.156 14.396 65 HA LYS 9 HA LYS 9 -4.845 3.838 15.233 66 HB2 LYS 9 HB2 LYS 9 -5.025 2.939 17.431 67 HB3 LYS 9 HB3 LYS 9 -5.869 1.848 16.351 68 HG2 LYS 9 HG2 LYS 9 -4.221 0.177 16.515 69 HG3 LYS 9 HG3 LYS 9 -2.950 1.316 16.913 70 HD2 LYS 9 HD2 LYS 9 -5.280 0.764 18.799 71 HD3 LYS 9 HD3 LYS 9 -3.809 -0.187 18.834 72 HE2 LYS 9 HE2 LYS 9 -2.504 1.588 19.635 73 HE3 LYS 9 HE3 LYS 9 -3.525 2.813 18.908 74 HZ1 LYS 9 HZ1 LYS 9 -4.365 3.000 20.985 75 HZ2 LYS 9 HZ2 LYS 9 -5.196 1.631 20.689 76 H ASN 10 HN ASN 10 -2.171 2.002 14.198 77 HA ASN 10 HA ASN 10 -0.331 3.243 16.008 78 HB2 ASN 10 HB2 ASN 10 0.092 1.478 13.539 79 HB3 ASN 10 HB3 ASN 10 1.390 2.022 14.582 80 HD21 ASN 10 HD21 ASN 10 1.906 0.877 16.302 81 HD22 ASN 10 HD22 ASN 10 0.996 -0.428 16.988 82 H GLY 11 HN GLY 11 -2.119 4.324 13.443 83 HA2 GLY 11 HA1 GLY 11 -1.518 6.621 12.767 84 HA3 GLY 11 HA2 GLY 11 0.067 5.999 12.357 85 H ASP 12 HN ASP 12 -3.052 6.701 11.172 86 HA ASP 12 HA ASP 12 -3.708 4.807 9.432 87 HB2 ASP 12 HB2 ASP 12 -3.895 7.763 9.503 88 HB3 ASP 12 HB3 ASP 12 -3.975 7.118 7.876 89 HD2 ASP 12 HD2 ASP 12 -7.365 7.264 9.138 90 H VAL 13 HN VAL 13 -3.254 4.525 7.040 91 HA VAL 13 HA VAL 13 -0.560 5.458 6.327 92 HB VAL 13 HB VAL 13 -1.791 2.766 5.707 93 HG11 VAL 13 HG11 VAL 13 1.133 3.256 5.462 94 HG12 VAL 13 HG12 VAL 13 0.043 2.266 4.461 95 HG13 VAL 13 HG13 VAL 13 0.091 4.032 4.245 96 HG21 VAL 13 HG21 VAL 13 0.436 2.300 7.269 97 HG22 VAL 13 HG22 VAL 13 -0.288 3.733 8.038 98 HG23 VAL 13 HG23 VAL 13 -1.254 2.252 7.827 99 H LYS 14 HN LYS 14 -1.551 7.272 5.234 100 HA LYS 14 HA LYS 14 -3.605 7.002 3.381 101 HB2 LYS 14 HB2 LYS 14 -3.127 9.157 4.204 102 HB3 LYS 14 HB3 LYS 14 -1.424 9.040 3.809 103 HG2 LYS 14 HG2 LYS 14 -2.722 8.623 1.339 104 HG3 LYS 14 HG3 LYS 14 -3.676 9.874 2.110 105 HD2 LYS 14 HD2 LYS 14 -0.707 10.211 2.304 106 HD3 LYS 14 HD3 LYS 14 -1.381 10.366 0.693 107 HE2 LYS 14 HE2 LYS 14 -3.092 12.011 1.678 108 HE3 LYS 14 HE3 LYS 14 -2.173 11.966 3.169 109 HZ1 LYS 14 HZ1 LYS 14 -0.673 13.360 2.272 110 HZ2 LYS 14 HZ2 LYS 14 -0.442 12.425 0.959 111 H LEU 15 HN LEU 15 -3.653 5.739 1.606 112 HA LEU 15 HA LEU 15 -1.110 5.359 0.191 113 HB2 LEU 15 HB2 LEU 15 -1.773 3.266 0.882 114 HB3 LEU 15 HB3 LEU 15 -3.480 3.611 0.687 115 HG LEU 15 HG LEU 15 -2.724 3.769 -1.896 116 HD11 LEU 15 HD11 LEU 15 -0.879 2.628 -2.492 117 HD12 LEU 15 HD12 LEU 15 -0.356 2.993 -0.830 118 HD13 LEU 15 HD13 LEU 15 -1.081 1.411 -1.208 119 HD21 LEU 15 HD21 LEU 15 -4.051 1.871 -0.204 120 HD22 LEU 15 HD22 LEU 15 -4.316 2.228 -1.928 121 HD23 LEU 15 HD23 LEU 15 -3.118 1.003 -1.448 122 HA PRO 16 HA PRO 16 -3.018 8.271 -2.624 123 HB2 PRO 16 HB2 PRO 16 -0.398 7.769 -4.010 124 HB3 PRO 16 HB3 PRO 16 -1.158 9.300 -3.464 125 HG2 PRO 16 HG2 PRO 16 0.996 8.255 -2.064 126 HG3 PRO 16 HG3 PRO 16 -0.453 9.153 -1.503 127 HD2 PRO 16 HD2 PRO 16 0.098 6.135 -1.523 128 HD3 PRO 16 HD3 PRO 16 -0.499 7.150 -0.175 129 H HIS 17 HN HIS 17 -4.332 5.985 -2.914 130 HA HIS 17 HA HIS 17 -3.689 4.097 -4.674 131 HB2 HIS 17 HB2 HIS 17 -5.841 4.393 -3.398 132 HB3 HIS 17 HB3 HIS 17 -6.377 5.492 -4.653 133 HD1 HIS 17 HD1 HIS 17 -7.548 4.459 -6.624 134 HD2 HIS 17 HD2 HIS 17 -5.291 1.663 -4.460 135 HE1 HIS 17 HE1 HIS 17 -8.065 2.179 -7.645 136 H LYS 18 HN LYS 18 -5.139 7.301 -5.596 137 HA LYS 18 HA LYS 18 -5.094 6.919 -8.317 138 HB2 LYS 18 HB2 LYS 18 -6.232 8.764 -7.127 139 HB3 LYS 18 HB3 LYS 18 -4.681 9.500 -6.778 140 HG2 LYS 18 HG2 LYS 18 -5.654 10.563 -8.765 141 HG3 LYS 18 HG3 LYS 18 -4.210 9.683 -9.227 142 HD2 LYS 18 HD2 LYS 18 -6.493 7.891 -9.377 143 HD3 LYS 18 HD3 LYS 18 -6.867 9.362 -10.254 144 HE2 LYS 18 HE2 LYS 18 -5.091 9.075 -11.782 145 HE3 LYS 18 HE3 LYS 18 -4.160 8.082 -10.678 146 HZ1 LYS 18 HZ1 LYS 18 -6.676 6.872 -11.320 147 HZ2 LYS 18 HZ2 LYS 18 -5.795 7.142 -12.663 148 H ALA 19 HN ALA 19 -2.540 8.443 -6.230 149 HA ALA 19 HA ALA 19 -0.711 8.887 -8.248 150 HB1 ALA 19 HB1 ALA 19 0.548 8.095 -5.744 151 HB2 ALA 19 HB2 ALA 19 0.447 9.703 -6.500 152 HB3 ALA 19 HB3 ALA 19 -0.869 9.131 -5.446 153 H HIS 20 HN HIS 20 -1.102 6.002 -6.079 154 HA HIS 20 HA HIS 20 0.996 4.567 -7.214 155 HB2 HIS 20 HB2 HIS 20 -1.401 3.901 -5.543 156 HB3 HIS 20 HB3 HIS 20 -0.492 2.589 -6.266 157 HD1 HIS 20 HD1 HIS 20 -0.058 5.486 -3.837 158 HD2 HIS 20 HD2 HIS 20 1.915 1.978 -5.017 159 HE1 HIS 20 HE1 HIS 20 1.847 5.143 -2.174 160 H GLN 21 HN GLN 21 -2.330 5.176 -8.250 161 HA GLN 21 HA GLN 21 -2.444 2.987 -10.017 162 HB2 GLN 21 HB2 GLN 21 -4.068 5.501 -9.590 163 HB3 GLN 21 HB3 GLN 21 -4.350 4.538 -11.026 164 HG2 GLN 21 HG2 GLN 21 -4.937 2.586 -9.730 165 HG3 GLN 21 HG3 GLN 21 -4.308 3.284 -8.251 166 HE21 GLN 21 HE21 GLN 21 -7.021 2.685 -10.053 167 HE22 GLN 21 HE22 GLN 21 -8.145 3.788 -9.331 168 H LYS 22 HN LYS 22 -0.556 5.785 -10.028 169 HA LYS 22 HA LYS 22 -0.528 5.893 -12.959 170 HB2 LYS 22 HB2 LYS 22 -1.013 7.977 -11.493 171 HB3 LYS 22 HB3 LYS 22 0.701 7.949 -11.127 172 HG2 LYS 22 HG2 LYS 22 0.646 9.334 -13.023 173 HG3 LYS 22 HG3 LYS 22 1.027 7.779 -13.735 174 HD2 LYS 22 HD2 LYS 22 -1.131 7.493 -14.627 175 HD3 LYS 22 HD3 LYS 22 -1.882 8.525 -13.427 176 HE2 LYS 22 HE2 LYS 22 -0.202 10.329 -14.670 177 HE3 LYS 22 HE3 LYS 22 -0.575 9.259 -16.007 178 HZ1 LYS 22 HZ1 LYS 22 -2.533 10.729 -14.332 179 HZ2 LYS 22 HZ2 LYS 22 -2.266 10.926 -15.927 180 H ALA 23 HN ALA 23 1.457 5.533 -9.981 181 HA ALA 23 HA ALA 23 3.895 5.266 -11.408 182 HB1 ALA 23 HB1 ALA 23 3.584 5.998 -8.999 183 HB2 ALA 23 HB2 ALA 23 3.216 4.301 -8.606 184 HB3 ALA 23 HB3 ALA 23 4.817 4.739 -9.249 185 H VAL 24 HN VAL 24 1.227 3.123 -10.495 186 HA VAL 24 HA VAL 24 2.725 0.918 -11.727 187 HB VAL 24 HB VAL 24 0.920 0.877 -9.304 188 HG11 VAL 24 HG11 VAL 24 2.204 -1.518 -10.650 189 HG12 VAL 24 HG12 VAL 24 1.073 -1.513 -9.276 190 HG13 VAL 24 HG13 VAL 24 0.509 -1.034 -10.896 191 HG21 VAL 24 HG21 VAL 24 2.969 -0.195 -8.266 192 HG22 VAL 24 HG22 VAL 24 3.863 0.290 -9.727 193 HG23 VAL 24 HG23 VAL 24 3.126 1.529 -8.682 194 HA PRO 25 HA PRO 25 -0.974 2.004 -14.244 195 HB2 PRO 25 HB2 PRO 25 0.859 0.802 -16.302 196 HB3 PRO 25 HB3 PRO 25 -0.051 2.347 -16.308 197 HG2 PRO 25 HG2 PRO 25 2.692 2.386 -15.917 198 HG3 PRO 25 HG3 PRO 25 1.408 3.423 -15.215 199 HD2 PRO 25 HD2 PRO 25 2.810 0.964 -14.030 200 HD3 PRO 25 HD3 PRO 25 2.548 2.567 -13.278 201 H ASP 26 HN ASP 26 0.822 -0.873 -13.354 202 HA ASP 26 HA ASP 26 -1.008 -2.555 -14.809 203 HB2 ASP 26 HB2 ASP 26 0.750 -3.908 -12.886 204 HB3 ASP 26 HB3 ASP 26 0.615 -4.146 -14.617 205 HD2 ASP 26 HD2 ASP 26 3.738 -3.189 -14.866 206 H CYS 27 HN CYS 27 -3.029 -2.274 -13.685 207 HA CYS 27 HA CYS 27 -3.109 -2.314 -10.843 208 HB2 CYS 27 HB2 CYS 27 -5.534 -2.768 -12.535 209 HB3 CYS 27 HB3 CYS 27 -5.369 -1.890 -11.027 210 H LYS 28 HN LYS 28 -1.690 -4.500 -11.194 211 HA LYS 28 HA LYS 28 -3.598 -6.658 -10.760 212 HB2 LYS 28 HB2 LYS 28 -2.332 -8.181 -12.213 213 HB3 LYS 28 HB3 LYS 28 -3.053 -6.862 -13.113 214 HG2 LYS 28 HG2 LYS 28 -0.886 -5.649 -13.127 215 HG3 LYS 28 HG3 LYS 28 -0.153 -6.908 -12.152 216 HD2 LYS 28 HD2 LYS 28 -1.355 -8.245 -14.369 217 HD3 LYS 28 HD3 LYS 28 -0.563 -6.833 -15.038 218 HE2 LYS 28 HE2 LYS 28 1.309 -8.158 -15.003 219 HE3 LYS 28 HE3 LYS 28 1.393 -7.686 -13.318 220 HZ1 LYS 28 HZ1 LYS 28 -0.234 -9.745 -13.079 221 HZ2 LYS 28 HZ2 LYS 28 0.503 -10.232 -14.447 222 H LYS 29 HN LYS 29 -0.149 -5.556 -10.763 223 HA LYS 29 HA LYS 29 0.813 -7.476 -9.023 224 HB2 LYS 29 HB2 LYS 29 2.320 -6.110 -10.267 225 HB3 LYS 29 HB3 LYS 29 1.663 -4.631 -9.596 226 HG2 LYS 29 HG2 LYS 29 3.653 -4.978 -8.348 227 HG3 LYS 29 HG3 LYS 29 2.387 -5.542 -7.275 228 HD2 LYS 29 HD2 LYS 29 3.094 -7.721 -7.372 229 HD3 LYS 29 HD3 LYS 29 3.389 -7.653 -9.098 230 HE2 LYS 29 HE2 LYS 29 5.426 -6.058 -8.307 231 HE3 LYS 29 HE3 LYS 29 5.244 -6.974 -6.824 232 HZ1 LYS 29 HZ1 LYS 29 6.560 -8.442 -7.930 233 HZ2 LYS 29 HZ2 LYS 29 5.187 -8.937 -8.652 234 H CYS 30 HN CYS 30 -1.413 -4.853 -8.483 235 HA CYS 30 HA CYS 30 -0.961 -5.074 -5.602 236 HB2 CYS 30 HB2 CYS 30 -1.694 -2.850 -7.361 237 HB3 CYS 30 HB3 CYS 30 -2.791 -3.012 -6.004 238 H HIS 31 HN HIS 31 -3.245 -5.477 -8.321 239 HA HIS 31 HA HIS 31 -5.215 -6.508 -6.416 240 HB2 HIS 31 HB2 HIS 31 -5.512 -5.277 -9.160 241 HB3 HIS 31 HB3 HIS 31 -6.798 -6.201 -8.409 242 HD1 HIS 31 HD1 HIS 31 -7.563 -5.237 -5.922 243 HD2 HIS 31 HD2 HIS 31 -5.490 -2.625 -8.467 244 HE1 HIS 31 HE1 HIS 31 -8.012 -2.882 -5.048 245 H GLU 32 HN GLU 32 -5.040 -8.684 -6.205 246 HA GLU 32 HA GLU 32 -3.798 -10.230 -8.193 247 HB2 GLU 32 HB2 GLU 32 -3.656 -10.871 -5.845 248 HB3 GLU 32 HB3 GLU 32 -5.400 -10.980 -5.712 249 HG2 GLU 32 HG2 GLU 32 -4.993 -13.217 -6.088 250 HG3 GLU 32 HG3 GLU 32 -5.055 -12.715 -7.766 251 HE2 GLU 32 HE2 GLU 32 -3.457 -13.658 -8.760 252 H LYS 33 HN LYS 33 -6.800 -11.542 -6.862 253 HA LYS 33 HA LYS 33 -7.759 -12.633 -9.104 254 HB2 LYS 33 HB2 LYS 33 -9.188 -11.446 -6.728 255 HB3 LYS 33 HB3 LYS 33 -10.078 -12.227 -8.019 256 HG2 LYS 33 HG2 LYS 33 -9.660 -14.191 -6.954 257 HG3 LYS 33 HG3 LYS 33 -8.011 -14.043 -7.528 258 HD2 LYS 33 HD2 LYS 33 -7.553 -12.612 -5.419 259 HD3 LYS 33 HD3 LYS 33 -9.119 -13.141 -4.836 260 HE2 LYS 33 HE2 LYS 33 -7.799 -15.505 -5.736 261 HE3 LYS 33 HE3 LYS 33 -6.586 -14.593 -4.859 262 HZ1 LYS 33 HZ1 LYS 33 -8.955 -15.880 -3.836 263 HZ2 LYS 33 HZ2 LYS 33 -7.584 -15.487 -3.051 264 H GLY 34 HN GLY 34 -7.743 -9.189 -8.275 265 HA2 GLY 34 HA1 GLY 34 -7.804 -8.050 -10.639 266 HA3 GLY 34 HA2 GLY 34 -9.481 -8.549 -10.541 267 HA PRO 35 HA PRO 35 -8.590 -4.240 -8.654 268 HB2 PRO 35 HB2 PRO 35 -10.829 -3.225 -10.063 269 HB3 PRO 35 HB3 PRO 35 -9.111 -3.094 -10.562 270 HG2 PRO 35 HG2 PRO 35 -11.091 -4.995 -11.094 271 HG3 PRO 35 HG3 PRO 35 -10.227 -4.588 -12.613 272 HD2 PRO 35 HD2 PRO 35 -9.385 -6.775 -11.677 273 HD3 PRO 35 HD3 PRO 35 -8.119 -5.521 -11.510 274 H GLY 36 HN GLY 36 -9.422 -4.178 -6.569 275 HA2 GLY 36 HA1 GLY 36 -11.833 -3.730 -5.691 276 HA3 GLY 36 HA2 GLY 36 -12.045 -5.415 -6.122 277 H LYS 37 HN LYS 37 -12.492 -5.555 -3.698 278 HA LYS 37 HA LYS 37 -10.589 -5.068 -1.778 279 HB2 LYS 37 HB2 LYS 37 -13.063 -6.605 -2.029 280 HB3 LYS 37 HB3 LYS 37 -11.935 -7.348 -0.914 281 HG2 LYS 37 HG2 LYS 37 -12.091 -4.406 -0.604 282 HG3 LYS 37 HG3 LYS 37 -13.627 -5.203 -0.330 283 HD2 LYS 37 HD2 LYS 37 -11.841 -6.863 1.032 284 HD3 LYS 37 HD3 LYS 37 -11.154 -5.273 1.299 285 HE2 LYS 37 HE2 LYS 37 -12.669 -5.375 3.075 286 HE3 LYS 37 HE3 LYS 37 -13.662 -4.588 1.864 287 HZ1 LYS 37 HZ1 LYS 37 -13.829 -7.339 2.841 288 HZ2 LYS 37 HZ2 LYS 37 -15.034 -6.316 2.451 289 H ILE 38 HN ILE 38 -9.060 -6.462 -0.663 290 HA ILE 38 HA ILE 38 -8.037 -8.567 -2.440 291 HB ILE 38 HB ILE 38 -6.444 -6.795 -0.588 292 HG12 ILE 38 HG12 ILE 38 -6.575 -6.616 -3.607 293 HG13 ILE 38 HG13 ILE 38 -7.540 -5.607 -2.547 294 HG21 ILE 38 HG21 ILE 38 -5.107 -8.205 -2.794 295 HG22 ILE 38 HG22 ILE 38 -4.629 -8.007 -1.091 296 HG23 ILE 38 HG23 ILE 38 -5.794 -9.273 -1.546 297 HD11 ILE 38 HD11 ILE 38 -5.284 -5.016 -1.367 298 HD12 ILE 38 HD12 ILE 38 -4.519 -5.696 -2.823 299 HD13 ILE 38 HD13 ILE 38 -5.609 -4.296 -2.963 300 H GLU 39 HN GLU 39 -7.566 -10.568 -1.542 301 HA GLU 39 HA GLU 39 -8.449 -10.823 1.218 302 HB2 GLU 39 HB2 GLU 39 -8.630 -12.549 -1.209 303 HB3 GLU 39 HB3 GLU 39 -8.306 -13.400 0.288 304 HG2 GLU 39 HG2 GLU 39 -10.275 -11.969 1.279 305 HG3 GLU 39 HG3 GLU 39 -10.689 -11.640 -0.392 306 HE2 GLU 39 HE2 GLU 39 -12.306 -13.109 -0.926 307 H GLY 40 HN GLY 40 -6.866 -11.012 2.737 308 HA2 GLY 40 HA1 GLY 40 -5.068 -12.562 3.432 309 HA3 GLY 40 HA2 GLY 40 -4.308 -12.237 1.887 310 H PHE 41 HN PHE 41 -4.904 -9.394 1.704 311 HA PHE 41 HA PHE 41 -2.737 -8.415 3.210 312 HB2 PHE 41 HB2 PHE 41 -3.674 -7.618 0.949 313 HB3 PHE 41 HB3 PHE 41 -5.069 -6.984 1.799 314 HD1 PHE 41 HD1 PHE 41 -4.644 -5.187 3.588 315 HD2 PHE 41 HD2 PHE 41 -1.757 -6.306 0.686 316 HE1 PHE 41 HE1 PHE 41 -3.435 -3.018 3.953 317 HE2 PHE 41 HE2 PHE 41 -0.548 -4.137 1.052 318 HZ PHE 41 HZ PHE 41 -1.402 -2.519 2.681 319 H GLY 42 HN GLY 42 -2.952 -8.490 5.445 320 HA2 GLY 42 HA1 GLY 42 -5.185 -6.900 6.551 321 HA3 GLY 42 HA2 GLY 42 -4.709 -8.438 7.243 322 H LYS 43 HN LYS 43 -1.768 -7.773 6.435 323 HA LYS 43 HA LYS 43 -0.939 -5.474 7.715 324 HB2 LYS 43 HB2 LYS 43 -1.852 -6.236 9.778 325 HB3 LYS 43 HB3 LYS 43 -1.196 -7.847 9.571 326 HG2 LYS 43 HG2 LYS 43 0.785 -5.594 9.524 327 HG3 LYS 43 HG3 LYS 43 0.023 -5.921 11.067 328 HD2 LYS 43 HD2 LYS 43 0.629 -8.472 10.387 329 HD3 LYS 43 HD3 LYS 43 1.868 -7.663 9.449 330 HE2 LYS 43 HE2 LYS 43 2.376 -6.338 11.664 331 HE3 LYS 43 HE3 LYS 43 1.449 -7.595 12.458 332 HZ1 LYS 43 HZ1 LYS 43 2.971 -9.245 11.496 333 HZ2 LYS 43 HZ2 LYS 43 3.829 -8.082 10.747 334 H GLU 44 HN GLU 44 0.160 -8.903 8.168 335 HA GLU 44 HA GLU 44 2.737 -8.576 7.710 336 HB2 GLU 44 HB2 GLU 44 2.023 -10.762 8.233 337 HB3 GLU 44 HB3 GLU 44 0.857 -10.809 6.926 338 HG2 GLU 44 HG2 GLU 44 2.718 -12.219 6.278 339 HG3 GLU 44 HG3 GLU 44 2.780 -10.784 5.273 340 HE2 GLU 44 HE2 GLU 44 5.626 -11.900 7.651 341 H MET 45 HN MET 45 0.238 -8.970 5.114 342 HA MET 45 HA MET 45 1.898 -9.003 2.968 343 HB2 MET 45 HB2 MET 45 -0.863 -7.732 3.369 344 HB3 MET 45 HB3 MET 45 -0.133 -7.898 1.784 345 HG2 MET 45 HG2 MET 45 -0.760 -10.194 3.705 346 HG3 MET 45 HG3 MET 45 -1.666 -9.796 2.258 347 HE1 MET 45 HE1 MET 45 1.120 -12.724 2.900 348 HE2 MET 45 HE2 MET 45 2.358 -11.448 2.981 349 HE3 MET 45 HE3 MET 45 0.899 -11.338 3.995 350 H ALA 46 HN ALA 46 0.306 -6.067 4.422 351 HA ALA 46 HA ALA 46 1.499 -4.207 2.767 352 HB1 ALA 46 HB1 ALA 46 0.509 -2.679 4.169 353 HB2 ALA 46 HB2 ALA 46 -0.349 -4.137 4.723 354 HB3 ALA 46 HB3 ALA 46 1.044 -3.521 5.643 355 H HIS 47 HN HIS 47 2.672 -5.765 5.794 356 HA HIS 47 HA HIS 47 5.046 -4.158 5.785 357 HB2 HIS 47 HB2 HIS 47 4.238 -6.551 7.462 358 HB3 HIS 47 HB3 HIS 47 5.675 -5.583 7.722 359 HD1 HIS 47 HD1 HIS 47 2.825 -5.976 9.465 360 HD2 HIS 47 HD2 HIS 47 4.344 -2.570 7.544 361 HE1 HIS 47 HE1 HIS 47 1.736 -3.968 10.603 362 H GLY 48 HN GLY 48 4.094 -6.298 3.604 363 HA2 GLY 48 HA1 GLY 48 6.802 -7.175 3.036 364 HA3 GLY 48 HA2 GLY 48 5.658 -8.457 3.379 365 H LYS 49 HN LYS 49 5.150 -9.387 1.430 366 HA LYS 49 HA LYS 49 5.145 -7.968 -0.986 367 HB2 LYS 49 HB2 LYS 49 5.033 -10.638 -0.162 368 HB3 LYS 49 HB3 LYS 49 3.514 -10.384 -0.997 369 HG2 LYS 49 HG2 LYS 49 4.677 -10.669 -2.931 370 HG3 LYS 49 HG3 LYS 49 5.333 -9.067 -2.657 371 HD2 LYS 49 HD2 LYS 49 7.165 -10.186 -1.232 372 HD3 LYS 49 HD3 LYS 49 6.573 -11.726 -1.823 373 HE2 LYS 49 HE2 LYS 49 6.846 -10.098 -4.140 374 HE3 LYS 49 HE3 LYS 49 8.271 -9.766 -3.176 375 HZ1 LYS 49 HZ1 LYS 49 8.306 -12.368 -2.969 376 HZ2 LYS 49 HZ2 LYS 49 7.422 -12.325 -4.336 377 H GLY 50 HN GLY 50 3.882 -6.041 -0.352 378 HA2 GLY 50 HA1 GLY 50 1.189 -6.260 -1.248 379 HA3 GLY 50 HA2 GLY 50 1.252 -6.056 0.491 380 H CYS 51 HN CYS 51 3.413 -4.369 0.924 381 HA CYS 51 HA CYS 51 2.897 -2.074 -0.804 382 HB2 CYS 51 HB2 CYS 51 2.988 -1.878 2.210 383 HB3 CYS 51 HB3 CYS 51 2.698 -0.580 1.069 384 H LYS 52 HN LYS 52 4.810 -3.377 2.008 385 HA LYS 52 HA LYS 52 7.065 -1.776 1.446 386 HB2 LYS 52 HB2 LYS 52 6.194 -3.601 3.467 387 HB3 LYS 52 HB3 LYS 52 7.780 -4.115 2.929 388 HG2 LYS 52 HG2 LYS 52 7.418 -1.166 3.346 389 HG3 LYS 52 HG3 LYS 52 7.395 -2.158 4.790 390 HD2 LYS 52 HD2 LYS 52 9.576 -2.784 2.840 391 HD3 LYS 52 HD3 LYS 52 9.691 -1.218 3.618 392 HE2 LYS 52 HE2 LYS 52 10.143 -2.124 5.687 393 HE3 LYS 52 HE3 LYS 52 9.011 -3.444 5.474 394 HZ1 LYS 52 HZ1 LYS 52 11.672 -3.312 4.159 395 HZ2 LYS 52 HZ2 LYS 52 11.340 -4.205 5.479 396 H GLY 53 HN GLY 53 6.302 -5.275 0.850 397 HA2 GLY 53 HA1 GLY 53 8.503 -6.248 -0.266 398 HA3 GLY 53 HA2 GLY 53 6.913 -6.543 -0.941 399 H CYS 54 HN CYS 54 6.186 -4.046 -1.994 400 HA CYS 54 HA CYS 54 7.803 -4.026 -4.331 401 HB2 CYS 54 HB2 CYS 54 5.319 -3.726 -4.342 402 HB3 CYS 54 HB3 CYS 54 5.527 -2.165 -3.574 403 H HIS 55 HN HIS 55 7.145 -1.837 -1.525 404 HA HIS 55 HA HIS 55 8.632 0.319 -2.388 405 HB2 HIS 55 HB2 HIS 55 8.032 -0.698 0.400 406 HB3 HIS 55 HB3 HIS 55 8.796 0.846 0.078 407 HD1 HIS 55 HD1 HIS 55 6.068 0.746 1.512 408 HD2 HIS 55 HD2 HIS 55 6.514 1.171 -2.638 409 HE1 HIS 55 HE1 HIS 55 3.920 1.837 0.670 410 H GLU 56 HN GLU 56 9.611 -2.655 -0.598 411 HA GLU 56 HA GLU 56 12.300 -1.728 -0.422 412 HB2 GLU 56 HB2 GLU 56 12.634 -4.179 0.407 413 HB3 GLU 56 HB3 GLU 56 11.688 -3.086 1.397 414 HG2 GLU 56 HG2 GLU 56 9.744 -4.253 1.059 415 HG3 GLU 56 HG3 GLU 56 10.066 -4.488 -0.648 416 HE2 GLU 56 HE2 GLU 56 9.810 -7.392 1.211 417 H GLU 57 HN GLU 57 10.320 -3.699 -2.600 418 HA GLU 57 HA GLU 57 12.542 -4.933 -3.847 419 HB2 GLU 57 HB2 GLU 57 10.434 -6.093 -3.912 420 HB3 GLU 57 HB3 GLU 57 9.593 -4.694 -4.549 421 HG2 GLU 57 HG2 GLU 57 9.947 -6.216 -6.399 422 HG3 GLU 57 HG3 GLU 57 11.020 -4.852 -6.641 423 HE2 GLU 57 HE2 GLU 57 12.046 -8.435 -5.401 424 H MET 58 HN MET 58 10.769 -1.896 -4.178 425 HA MET 58 HA MET 58 12.132 -1.412 -6.702 426 HB2 MET 58 HB2 MET 58 9.840 0.072 -5.297 427 HB3 MET 58 HB3 MET 58 10.492 0.522 -6.860 428 HG2 MET 58 HG2 MET 58 9.959 -2.013 -7.494 429 HG3 MET 58 HG3 MET 58 8.871 -1.928 -6.123 430 HE1 MET 58 HE1 MET 58 7.823 -0.812 -10.207 431 HE2 MET 58 HE2 MET 58 9.489 -1.212 -9.725 432 HE3 MET 58 HE3 MET 58 8.160 -2.335 -9.350 433 H LYS 59 HN LYS 59 11.659 -0.188 -3.359 434 HA LYS 59 HA LYS 59 12.938 1.109 -2.102 435 HB2 LYS 59 HB2 LYS 59 14.921 1.084 -4.398 436 HB3 LYS 59 HB3 LYS 59 15.239 1.675 -2.779 437 HG2 LYS 59 HG2 LYS 59 14.192 -1.145 -3.177 438 HG3 LYS 59 HG3 LYS 59 15.894 -0.806 -3.417 439 HD2 LYS 59 HD2 LYS 59 14.579 0.207 -0.893 440 HD3 LYS 59 HD3 LYS 59 14.938 -1.505 -1.010 441 HE2 LYS 59 HE2 LYS 59 16.840 -0.365 0.033 442 HE3 LYS 59 HE3 LYS 59 17.330 -0.960 -1.541 443 HZ1 LYS 59 HZ1 LYS 59 16.436 1.830 -1.041 444 HZ2 LYS 59 HZ2 LYS 59 17.997 1.376 -1.147 445 H LYS 60 HN LYS 60 10.757 2.194 -3.348 446 HA LYS 60 HA LYS 60 11.742 4.888 -3.951 447 HB2 LYS 60 HB2 LYS 60 9.930 3.161 -5.576 448 HB3 LYS 60 HB3 LYS 60 9.526 4.861 -5.457 449 HG2 LYS 60 HG2 LYS 60 12.332 3.910 -6.176 450 HG3 LYS 60 HG3 LYS 60 11.096 4.169 -7.392 451 HD2 LYS 60 HD2 LYS 60 11.102 6.483 -7.121 452 HD3 LYS 60 HD3 LYS 60 11.526 6.397 -5.423 453 HE2 LYS 60 HE2 LYS 60 13.770 5.288 -6.697 454 HE3 LYS 60 HE3 LYS 60 13.289 6.573 -7.787 455 HZ1 LYS 60 HZ1 LYS 60 14.027 8.089 -6.318 456 HZ2 LYS 60 HZ2 LYS 60 13.177 7.458 -5.080 457 H GLY 61 HN GLY 61 9.049 2.755 -2.849 458 HA2 GLY 61 HA1 GLY 61 7.578 4.945 -1.706 459 HA3 GLY 61 HA2 GLY 61 7.236 3.232 -1.568 460 HA PRO 62 HA PRO 62 8.947 4.809 2.481 461 HB2 PRO 62 HB2 PRO 62 6.752 4.365 4.020 462 HB3 PRO 62 HB3 PRO 62 6.880 5.811 2.967 463 HG2 PRO 62 HG2 PRO 62 5.093 3.230 2.083 464 HG3 PRO 62 HG3 PRO 62 5.121 4.996 2.392 465 HD2 PRO 62 HD2 PRO 62 5.921 3.588 -0.009 466 HD3 PRO 62 HD3 PRO 62 6.136 5.330 0.341 467 H THR 63 HN THR 63 10.106 3.339 3.752 468 HA THR 63 HA THR 63 9.005 0.625 3.938 469 HB THR 63 HB THR 63 11.608 0.030 3.671 470 HG1 THR 63 HG1 THR 63 11.102 2.511 2.183 471 HG21 THR 63 HG21 THR 63 10.710 0.824 0.993 472 HG22 THR 63 HG22 THR 63 10.963 -0.813 1.644 473 HG23 THR 63 HG23 THR 63 9.402 0.009 1.882 474 H LYS 64 HN LYS 64 9.075 3.050 5.734 475 HA LYS 64 HA LYS 64 10.442 1.686 7.939 476 HB2 LYS 64 HB2 LYS 64 11.223 4.159 6.788 477 HB3 LYS 64 HB3 LYS 64 10.474 4.540 8.325 478 HG2 LYS 64 HG2 LYS 64 12.920 4.088 8.563 479 HG3 LYS 64 HG3 LYS 64 11.952 2.971 9.505 480 HD2 LYS 64 HD2 LYS 64 12.611 1.159 8.269 481 HD3 LYS 64 HD3 LYS 64 12.447 2.013 6.748 482 HE2 LYS 64 HE2 LYS 64 14.684 2.392 6.649 483 HE3 LYS 64 HE3 LYS 64 14.673 3.153 8.227 484 HZ1 LYS 64 HZ1 LYS 64 15.346 1.232 9.219 485 HZ2 LYS 64 HZ2 LYS 64 14.452 0.257 8.269 486 H CYS 65 HN CYS 65 9.469 2.090 10.057 487 HA CYS 65 HA CYS 65 6.716 1.926 9.981 488 HB2 CYS 65 HB2 CYS 65 8.175 2.901 12.417 489 HB3 CYS 65 HB3 CYS 65 6.770 1.859 12.310 490 H GLY 66 HN GLY 66 8.970 4.688 10.552 491 HA2 GLY 66 HA1 GLY 66 6.771 6.545 10.949 492 HA3 GLY 66 HA2 GLY 66 8.488 6.886 11.011 493 H GLU 67 HN GLU 67 7.497 4.971 8.270 494 HA GLU 67 HA GLU 67 7.601 7.393 6.645 495 HB2 GLU 67 HB2 GLU 67 9.060 4.848 6.474 496 HB3 GLU 67 HB3 GLU 67 8.249 5.229 4.969 497 HG2 GLU 67 HG2 GLU 67 9.283 7.529 5.025 498 HG3 GLU 67 HG3 GLU 67 10.137 7.089 6.490 499 HE2 GLU 67 HE2 GLU 67 12.188 6.671 5.886 500 H CYS 68 HN CYS 68 5.539 5.099 7.881 501 HA CYS 68 HA CYS 68 3.804 5.332 5.537 502 HB2 CYS 68 HB2 CYS 68 4.813 2.883 6.738 503 HB3 CYS 68 HB3 CYS 68 3.064 2.943 6.825 504 H HIS 69 HN HIS 69 3.899 4.253 9.021 505 HA HIS 69 HA HIS 69 1.254 5.176 9.466 506 HB2 HIS 69 HB2 HIS 69 3.419 4.275 11.386 507 HB3 HIS 69 HB3 HIS 69 1.757 4.599 11.837 508 HD1 HIS 69 HD1 HIS 69 -0.101 3.011 10.577 509 HD2 HIS 69 HD2 HIS 69 3.886 1.712 10.507 510 HE1 HIS 69 HE1 HIS 69 -0.169 0.529 9.990 511 H LYS 70 HN LYS 70 0.777 7.321 9.422 512 HA LYS 70 HA LYS 70 2.248 9.039 11.212 513 HB2 LYS 70 HB2 LYS 70 3.613 9.247 9.222 514 HB3 LYS 70 HB3 LYS 70 2.203 9.541 8.224 515 HG2 LYS 70 HG2 LYS 70 3.074 11.714 8.647 516 HG3 LYS 70 HG3 LYS 70 1.720 11.577 9.751 517 HD2 LYS 70 HD2 LYS 70 3.274 12.280 11.297 518 HD3 LYS 70 HD3 LYS 70 3.664 10.573 11.364 519 HE2 LYS 70 HE2 LYS 70 5.731 10.921 10.480 520 HE3 LYS 70 HE3 LYS 70 5.077 11.839 9.138 521 HZ1 LYS 70 HZ1 LYS 70 6.340 12.829 11.472 522 HZ2 LYS 70 HZ2 LYS 70 5.898 13.658 10.141 523 H LYS 71 HN LYS 71 0.692 10.008 12.385 524 HA LYS 71 HA LYS 71 -1.989 9.887 11.764 525 HB2 LYS 71 HB2 LYS 71 -0.730 10.413 13.984 526 HB3 LYS 71 HB3 LYS 71 -0.820 12.083 13.462 527 HG2 LYS 71 HG2 LYS 71 -3.418 10.958 13.020 528 HG3 LYS 71 HG3 LYS 71 -2.911 10.423 14.610 529 HD2 LYS 71 HD2 LYS 71 -2.212 13.233 14.248 530 HD3 LYS 71 HD3 LYS 71 -3.909 12.994 13.882 531 HE2 LYS 71 HE2 LYS 71 -4.255 13.083 16.134 532 HE3 LYS 71 HE3 LYS 71 -3.600 11.458 16.185 533 HZ1 LYS 71 HZ1 LYS 71 -2.498 13.682 17.377 534 HZ2 LYS 71 HZ2 LYS 71 -1.777 12.229 17.227 Start of MODEL 16 1 H1 ALA 1 HN ALA 1 -13.496 10.821 -4.082 2 HA ALA 1 HA ALA 1 -11.219 10.963 -4.341 3 HB1 ALA 1 HB1 ALA 1 -10.311 11.245 -2.112 4 HB2 ALA 1 HB2 ALA 1 -12.017 11.755 -2.088 5 HB3 ALA 1 HB3 ALA 1 -11.551 10.171 -1.421 6 H ASP 2 HN ASP 2 -9.182 9.929 -4.562 7 HA ASP 2 HA ASP 2 -9.415 7.122 -4.851 8 HB2 ASP 2 HB2 ASP 2 -7.746 9.211 -5.839 9 HB3 ASP 2 HB3 ASP 2 -6.673 8.130 -4.972 10 HD2 ASP 2 HD2 ASP 2 -7.438 7.217 -8.571 11 H ASP 3 HN ASP 3 -7.862 9.481 -2.625 12 HA ASP 3 HA ASP 3 -6.057 8.042 -1.325 13 HB2 ASP 3 HB2 ASP 3 -6.536 10.326 -0.678 14 HB3 ASP 3 HB3 ASP 3 -8.180 9.927 -0.225 15 HD2 ASP 3 HD2 ASP 3 -5.619 7.856 1.541 16 H ILE 4 HN ILE 4 -6.078 6.092 -0.186 17 HA ILE 4 HA ILE 4 -8.671 5.224 0.889 18 HB ILE 4 HB ILE 4 -6.662 3.816 -0.787 19 HG12 ILE 4 HG12 ILE 4 -9.680 3.664 -0.527 20 HG13 ILE 4 HG13 ILE 4 -8.792 4.577 -1.731 21 HG21 ILE 4 HG21 ILE 4 -7.870 2.676 1.672 22 HG22 ILE 4 HG22 ILE 4 -7.937 1.668 0.206 23 HG23 ILE 4 HG23 ILE 4 -6.369 2.249 0.816 24 HD11 ILE 4 HD11 ILE 4 -9.094 1.584 -1.459 25 HD12 ILE 4 HD12 ILE 4 -9.261 2.607 -2.906 26 HD13 ILE 4 HD13 ILE 4 -7.645 2.240 -2.257 27 H VAL 5 HN VAL 5 -8.386 5.944 2.999 28 HA VAL 5 HA VAL 5 -5.894 5.513 4.335 29 HB VAL 5 HB VAL 5 -8.552 6.250 5.555 30 HG11 VAL 5 HG11 VAL 5 -7.006 7.619 7.044 31 HG12 VAL 5 HG12 VAL 5 -6.913 5.851 7.226 32 HG13 VAL 5 HG13 VAL 5 -5.657 6.719 6.311 33 HG21 VAL 5 HG21 VAL 5 -6.630 7.983 3.981 34 HG22 VAL 5 HG22 VAL 5 -8.377 7.754 3.727 35 HG23 VAL 5 HG23 VAL 5 -7.795 8.648 5.152 36 H LEU 6 HN LEU 6 -5.252 3.739 5.460 37 HA LEU 6 HA LEU 6 -7.202 1.584 5.691 38 HB2 LEU 6 HB2 LEU 6 -4.191 1.648 5.913 39 HB3 LEU 6 HB3 LEU 6 -5.168 0.221 6.194 40 HG LEU 6 HG LEU 6 -5.268 1.729 3.579 41 HD11 LEU 6 HD11 LEU 6 -3.625 -0.739 3.753 42 HD12 LEU 6 HD12 LEU 6 -3.428 0.711 2.741 43 HD13 LEU 6 HD13 LEU 6 -2.930 0.744 4.449 44 HD21 LEU 6 HD21 LEU 6 -6.325 -0.860 4.612 45 HD22 LEU 6 HD22 LEU 6 -7.056 0.322 3.500 46 HD23 LEU 6 HD23 LEU 6 -5.795 -0.791 2.914 47 H LYS 7 HN LYS 7 -7.439 0.393 7.713 48 HA LYS 7 HA LYS 7 -7.437 2.211 9.940 49 HB2 LYS 7 HB2 LYS 7 -8.331 -0.683 9.785 50 HB3 LYS 7 HB3 LYS 7 -8.684 0.450 11.074 51 HG2 LYS 7 HG2 LYS 7 -9.484 1.800 8.720 52 HG3 LYS 7 HG3 LYS 7 -9.993 0.143 8.462 53 HD2 LYS 7 HD2 LYS 7 -11.821 0.698 9.710 54 HD3 LYS 7 HD3 LYS 7 -10.758 0.528 11.093 55 HE2 LYS 7 HE2 LYS 7 -11.271 3.129 9.571 56 HE3 LYS 7 HE3 LYS 7 -11.967 2.711 11.124 57 HZ1 LYS 7 HZ1 LYS 7 -9.120 3.248 10.528 58 HZ2 LYS 7 HZ2 LYS 7 -10.070 3.996 11.618 59 H ALA 8 HN ALA 8 -5.779 2.472 11.328 60 HA ALA 8 HA ALA 8 -4.291 0.201 12.221 61 HB1 ALA 8 HB1 ALA 8 -2.817 2.351 10.650 62 HB2 ALA 8 HB2 ALA 8 -2.121 0.893 11.396 63 HB3 ALA 8 HB3 ALA 8 -3.221 0.742 10.005 64 H LYS 9 HN LYS 9 -4.495 0.632 14.368 65 HA LYS 9 HA LYS 9 -4.728 3.279 15.338 66 HB2 LYS 9 HB2 LYS 9 -4.752 0.530 16.437 67 HB3 LYS 9 HB3 LYS 9 -4.198 1.768 17.546 68 HG2 LYS 9 HG2 LYS 9 -6.719 2.198 15.907 69 HG3 LYS 9 HG3 LYS 9 -6.776 1.254 17.383 70 HD2 LYS 9 HD2 LYS 9 -7.011 3.223 18.494 71 HD3 LYS 9 HD3 LYS 9 -5.315 3.512 18.157 72 HE2 LYS 9 HE2 LYS 9 -6.951 4.179 15.820 73 HE3 LYS 9 HE3 LYS 9 -7.525 5.038 17.235 74 HZ1 LYS 9 HZ1 LYS 9 -4.806 5.123 16.074 75 HZ2 LYS 9 HZ2 LYS 9 -5.814 6.373 16.346 76 H ASN 10 HN ASN 10 -2.074 1.494 14.191 77 HA ASN 10 HA ASN 10 -0.226 2.650 16.061 78 HB2 ASN 10 HB2 ASN 10 0.161 0.901 13.577 79 HB3 ASN 10 HB3 ASN 10 1.487 1.448 14.583 80 HD21 ASN 10 HD21 ASN 10 2.030 0.338 16.324 81 HD22 ASN 10 HD22 ASN 10 1.145 -0.974 17.027 82 H GLY 11 HN GLY 11 -1.999 3.850 13.570 83 HA2 GLY 11 HA1 GLY 11 -1.340 6.141 12.937 84 HA3 GLY 11 HA2 GLY 11 0.218 5.482 12.479 85 H ASP 12 HN ASP 12 -2.905 6.303 11.378 86 HA ASP 12 HA ASP 12 -3.609 4.454 9.586 87 HB2 ASP 12 HB2 ASP 12 -3.866 7.382 9.839 88 HB3 ASP 12 HB3 ASP 12 -3.911 6.869 8.164 89 HD2 ASP 12 HD2 ASP 12 -7.069 7.170 9.832 90 H VAL 13 HN VAL 13 -3.218 4.293 7.171 91 HA VAL 13 HA VAL 13 -0.549 5.281 6.438 92 HB VAL 13 HB VAL 13 -1.791 2.632 5.674 93 HG11 VAL 13 HG11 VAL 13 1.102 3.466 5.385 94 HG12 VAL 13 HG12 VAL 13 0.253 2.100 4.623 95 HG13 VAL 13 HG13 VAL 13 -0.104 3.767 4.110 96 HG21 VAL 13 HG21 VAL 13 -0.180 3.444 8.021 97 HG22 VAL 13 HG22 VAL 13 -1.278 2.061 7.801 98 HG23 VAL 13 HG23 VAL 13 0.387 1.985 7.176 99 H LYS 14 HN LYS 14 -1.497 7.144 5.435 100 HA LYS 14 HA LYS 14 -3.616 6.956 3.614 101 HB2 LYS 14 HB2 LYS 14 -3.178 9.058 4.594 102 HB3 LYS 14 HB3 LYS 14 -1.482 9.019 4.158 103 HG2 LYS 14 HG2 LYS 14 -2.797 8.744 1.686 104 HG3 LYS 14 HG3 LYS 14 -3.803 9.885 2.558 105 HD2 LYS 14 HD2 LYS 14 -2.306 11.486 1.959 106 HD3 LYS 14 HD3 LYS 14 -1.214 10.781 3.134 107 HE2 LYS 14 HE2 LYS 14 0.192 10.126 1.480 108 HE3 LYS 14 HE3 LYS 14 -1.079 9.167 0.746 109 HZ1 LYS 14 HZ1 LYS 14 -1.827 11.127 -0.456 110 HZ2 LYS 14 HZ2 LYS 14 -0.741 12.084 0.290 111 H LEU 15 HN LEU 15 -3.578 5.646 1.858 112 HA LEU 15 HA LEU 15 -1.061 5.502 0.369 113 HB2 LEU 15 HB2 LEU 15 -1.631 3.351 0.922 114 HB3 LEU 15 HB3 LEU 15 -3.354 3.645 0.801 115 HG LEU 15 HG LEU 15 -2.614 4.003 -1.797 116 HD11 LEU 15 HD11 LEU 15 -0.260 3.176 -0.872 117 HD12 LEU 15 HD12 LEU 15 -1.006 1.582 -1.138 118 HD13 LEU 15 HD13 LEU 15 -0.859 2.732 -2.488 119 HD21 LEU 15 HD21 LEU 15 -3.358 1.579 -2.089 120 HD22 LEU 15 HD22 LEU 15 -3.510 1.531 -0.316 121 HD23 LEU 15 HD23 LEU 15 -4.482 2.684 -1.262 122 HA PRO 16 HA PRO 16 -3.032 8.237 -2.509 123 HB2 PRO 16 HB2 PRO 16 -0.822 8.490 -4.138 124 HB3 PRO 16 HB3 PRO 16 -0.966 9.297 -2.542 125 HG2 PRO 16 HG2 PRO 16 0.802 6.732 -3.093 126 HG3 PRO 16 HG3 PRO 16 0.716 8.351 -2.327 127 HD2 PRO 16 HD2 PRO 16 -0.042 5.765 -1.214 128 HD3 PRO 16 HD3 PRO 16 -0.215 7.374 -0.450 129 H HIS 17 HN HIS 17 -4.286 5.966 -2.899 130 HA HIS 17 HA HIS 17 -3.555 4.105 -4.654 131 HB2 HIS 17 HB2 HIS 17 -5.755 4.357 -3.455 132 HB3 HIS 17 HB3 HIS 17 -6.260 5.466 -4.714 133 HD1 HIS 17 HD1 HIS 17 -7.288 4.456 -6.784 134 HD2 HIS 17 HD2 HIS 17 -5.192 1.639 -4.488 135 HE1 HIS 17 HE1 HIS 17 -7.756 2.181 -7.841 136 H LYS 18 HN LYS 18 -5.008 7.302 -5.594 137 HA LYS 18 HA LYS 18 -4.960 7.016 -8.290 138 HB2 LYS 18 HB2 LYS 18 -5.943 8.925 -7.159 139 HB3 LYS 18 HB3 LYS 18 -4.369 9.478 -6.624 140 HG2 LYS 18 HG2 LYS 18 -3.816 9.381 -9.252 141 HG3 LYS 18 HG3 LYS 18 -5.556 9.527 -9.399 142 HD2 LYS 18 HD2 LYS 18 -5.127 11.483 -7.554 143 HD3 LYS 18 HD3 LYS 18 -3.562 11.510 -8.343 144 HE2 LYS 18 HE2 LYS 18 -5.463 11.360 -10.457 145 HE3 LYS 18 HE3 LYS 18 -6.131 12.511 -9.318 146 HZ1 LYS 18 HZ1 LYS 18 -4.241 13.874 -9.512 147 HZ2 LYS 18 HZ2 LYS 18 -3.298 12.703 -10.138 148 H ALA 19 HN ALA 19 -2.265 8.492 -6.340 149 HA ALA 19 HA ALA 19 -0.454 8.690 -8.385 150 HB1 ALA 19 HB1 ALA 19 0.411 7.888 -5.610 151 HB2 ALA 19 HB2 ALA 19 1.102 9.113 -6.701 152 HB3 ALA 19 HB3 ALA 19 -0.433 9.436 -5.858 153 H HIS 20 HN HIS 20 -1.026 5.907 -6.131 154 HA HIS 20 HA HIS 20 0.959 4.299 -7.258 155 HB2 HIS 20 HB2 HIS 20 -1.452 3.812 -5.529 156 HB3 HIS 20 HB3 HIS 20 -0.560 2.451 -6.180 157 HD1 HIS 20 HD1 HIS 20 -0.236 5.328 -3.756 158 HD2 HIS 20 HD2 HIS 20 1.976 2.000 -5.033 159 HE1 HIS 20 HE1 HIS 20 1.696 5.078 -2.108 160 H GLN 21 HN GLN 21 -2.190 5.278 -8.376 161 HA GLN 21 HA GLN 21 -2.533 2.976 -10.030 162 HB2 GLN 21 HB2 GLN 21 -4.072 5.447 -9.376 163 HB3 GLN 21 HB3 GLN 21 -4.336 4.809 -10.986 164 HG2 GLN 21 HG2 GLN 21 -4.916 2.592 -10.060 165 HG3 GLN 21 HG3 GLN 21 -4.533 3.135 -8.438 166 HE21 GLN 21 HE21 GLN 21 -6.963 2.559 -10.541 167 HE22 GLN 21 HE22 GLN 21 -8.212 3.587 -9.921 168 H LYS 22 HN LYS 22 -0.832 6.001 -10.165 169 HA LYS 22 HA LYS 22 -0.705 5.849 -13.089 170 HB2 LYS 22 HB2 LYS 22 -0.903 8.031 -11.211 171 HB3 LYS 22 HB3 LYS 22 0.574 8.191 -12.140 172 HG2 LYS 22 HG2 LYS 22 -0.669 8.015 -14.256 173 HG3 LYS 22 HG3 LYS 22 -2.157 7.660 -13.400 174 HD2 LYS 22 HD2 LYS 22 -1.864 9.944 -12.220 175 HD3 LYS 22 HD3 LYS 22 -0.598 10.279 -13.385 176 HE2 LYS 22 HE2 LYS 22 -2.566 9.451 -15.094 177 HE3 LYS 22 HE3 LYS 22 -3.561 10.089 -13.801 178 HZ1 LYS 22 HZ1 LYS 22 -1.873 11.526 -15.642 179 HZ2 LYS 22 HZ2 LYS 22 -3.151 12.066 -14.790 180 H ALA 23 HN ALA 23 1.146 5.674 -10.047 181 HA ALA 23 HA ALA 23 3.685 5.682 -11.319 182 HB1 ALA 23 HB1 ALA 23 3.741 4.353 -8.779 183 HB2 ALA 23 HB2 ALA 23 4.269 6.006 -9.176 184 HB3 ALA 23 HB3 ALA 23 2.589 5.706 -8.670 185 H VAL 24 HN VAL 24 1.281 3.203 -10.347 186 HA VAL 24 HA VAL 24 3.059 1.179 -11.519 187 HB VAL 24 HB VAL 24 0.945 1.059 -9.375 188 HG11 VAL 24 HG11 VAL 24 2.286 -1.314 -10.713 189 HG12 VAL 24 HG12 VAL 24 1.131 -1.363 -9.360 190 HG13 VAL 24 HG13 VAL 24 0.597 -0.814 -10.967 191 HG21 VAL 24 HG21 VAL 24 3.230 -0.368 -8.620 192 HG22 VAL 24 HG22 VAL 24 3.853 1.079 -9.450 193 HG23 VAL 24 HG23 VAL 24 2.747 1.254 -8.067 194 HA PRO 25 HA PRO 25 -0.165 1.569 -14.654 195 HB2 PRO 25 HB2 PRO 25 1.440 0.949 -16.766 196 HB3 PRO 25 HB3 PRO 25 1.522 2.547 -15.955 197 HG2 PRO 25 HG2 PRO 25 3.123 0.235 -15.623 198 HG3 PRO 25 HG3 PRO 25 3.833 1.878 -15.744 199 HD2 PRO 25 HD2 PRO 25 3.563 0.606 -13.343 200 HD3 PRO 25 HD3 PRO 25 3.262 2.364 -13.484 201 H ASP 26 HN ASP 26 -0.188 -0.657 -12.881 202 HA ASP 26 HA ASP 26 -0.873 -2.670 -14.756 203 HB2 ASP 26 HB2 ASP 26 1.088 -3.562 -12.633 204 HB3 ASP 26 HB3 ASP 26 0.662 -4.361 -14.133 205 HD2 ASP 26 HD2 ASP 26 1.742 -2.200 -16.093 206 H CYS 27 HN CYS 27 -2.955 -2.264 -13.669 207 HA CYS 27 HA CYS 27 -3.176 -2.439 -10.861 208 HB2 CYS 27 HB2 CYS 27 -5.518 -2.935 -12.644 209 HB3 CYS 27 HB3 CYS 27 -5.420 -2.035 -11.144 210 H LYS 28 HN LYS 28 -1.720 -4.563 -11.041 211 HA LYS 28 HA LYS 28 -3.566 -6.772 -10.733 212 HB2 LYS 28 HB2 LYS 28 -2.154 -8.249 -12.181 213 HB3 LYS 28 HB3 LYS 28 -3.085 -7.044 -13.048 214 HG2 LYS 28 HG2 LYS 28 -1.066 -5.562 -13.149 215 HG3 LYS 28 HG3 LYS 28 -0.136 -6.775 -12.292 216 HD2 LYS 28 HD2 LYS 28 0.377 -7.168 -14.581 217 HD3 LYS 28 HD3 LYS 28 -0.792 -8.413 -14.189 218 HE2 LYS 28 HE2 LYS 28 -2.506 -6.443 -14.991 219 HE3 LYS 28 HE3 LYS 28 -1.102 -5.998 -15.941 220 HZ1 LYS 28 HZ1 LYS 28 -1.994 -7.566 -17.325 221 HZ2 LYS 28 HZ2 LYS 28 -1.151 -8.613 -16.406 222 H LYS 29 HN LYS 29 -0.135 -5.614 -10.735 223 HA LYS 29 HA LYS 29 0.850 -7.538 -9.005 224 HB2 LYS 29 HB2 LYS 29 2.396 -6.230 -10.200 225 HB3 LYS 29 HB3 LYS 29 1.674 -4.719 -9.684 226 HG2 LYS 29 HG2 LYS 29 3.678 -4.978 -8.378 227 HG3 LYS 29 HG3 LYS 29 2.345 -5.308 -7.290 228 HD2 LYS 29 HD2 LYS 29 2.984 -7.478 -6.982 229 HD3 LYS 29 HD3 LYS 29 3.227 -7.741 -8.698 230 HE2 LYS 29 HE2 LYS 29 5.423 -7.947 -7.922 231 HE3 LYS 29 HE3 LYS 29 5.396 -6.248 -8.347 232 HZ1 LYS 29 HZ1 LYS 29 6.273 -6.436 -6.144 233 HZ2 LYS 29 HZ2 LYS 29 4.781 -5.809 -5.964 234 H CYS 30 HN CYS 30 -1.422 -4.973 -8.459 235 HA CYS 30 HA CYS 30 -0.947 -5.182 -5.578 236 HB2 CYS 30 HB2 CYS 30 -1.638 -2.941 -7.319 237 HB3 CYS 30 HB3 CYS 30 -2.773 -3.106 -5.994 238 H HIS 31 HN HIS 31 -3.224 -5.573 -8.301 239 HA HIS 31 HA HIS 31 -5.200 -6.604 -6.402 240 HB2 HIS 31 HB2 HIS 31 -5.521 -5.380 -9.150 241 HB3 HIS 31 HB3 HIS 31 -6.808 -6.248 -8.338 242 HD1 HIS 31 HD1 HIS 31 -7.428 -5.209 -5.827 243 HD2 HIS 31 HD2 HIS 31 -5.432 -2.713 -8.543 244 HE1 HIS 31 HE1 HIS 31 -7.787 -2.822 -5.000 245 H GLU 32 HN GLU 32 -5.175 -8.786 -6.250 246 HA GLU 32 HA GLU 32 -3.947 -10.299 -8.319 247 HB2 GLU 32 HB2 GLU 32 -5.199 -10.938 -5.638 248 HB3 GLU 32 HB3 GLU 32 -4.818 -12.238 -6.749 249 HG2 GLU 32 HG2 GLU 32 -2.764 -12.152 -5.721 250 HG3 GLU 32 HG3 GLU 32 -2.467 -10.872 -6.881 251 HE2 GLU 32 HE2 GLU 32 -3.158 -8.332 -5.223 252 H LYS 33 HN LYS 33 -6.820 -11.655 -6.765 253 HA LYS 33 HA LYS 33 -7.943 -12.739 -8.934 254 HB2 LYS 33 HB2 LYS 33 -9.226 -11.568 -6.463 255 HB3 LYS 33 HB3 LYS 33 -10.163 -12.419 -7.675 256 HG2 LYS 33 HG2 LYS 33 -9.605 -14.301 -6.507 257 HG3 LYS 33 HG3 LYS 33 -8.063 -14.175 -7.330 258 HD2 LYS 33 HD2 LYS 33 -7.109 -14.031 -5.273 259 HD3 LYS 33 HD3 LYS 33 -7.757 -12.405 -5.185 260 HE2 LYS 33 HE2 LYS 33 -8.483 -13.585 -3.191 261 HE3 LYS 33 HE3 LYS 33 -9.893 -13.359 -4.207 262 HZ1 LYS 33 HZ1 LYS 33 -9.417 -15.698 -3.247 263 HZ2 LYS 33 HZ2 LYS 33 -9.895 -15.604 -4.801 264 H GLY 34 HN GLY 34 -7.899 -9.303 -8.076 265 HA2 GLY 34 HA1 GLY 34 -8.237 -8.235 -10.505 266 HA3 GLY 34 HA2 GLY 34 -9.892 -8.613 -10.072 267 HA PRO 35 HA PRO 35 -8.552 -4.403 -8.399 268 HB2 PRO 35 HB2 PRO 35 -11.004 -3.649 -9.986 269 HB3 PRO 35 HB3 PRO 35 -9.401 -2.852 -9.859 270 HG2 PRO 35 HG2 PRO 35 -9.688 -4.439 -12.331 271 HG3 PRO 35 HG3 PRO 35 -8.483 -4.195 -11.024 272 HD2 PRO 35 HD2 PRO 35 -10.758 -6.281 -11.006 273 HD3 PRO 35 HD3 PRO 35 -9.052 -6.647 -11.402 274 H GLY 36 HN GLY 36 -9.282 -4.059 -6.302 275 HA2 GLY 36 HA1 GLY 36 -11.585 -3.418 -5.304 276 HA3 GLY 36 HA2 GLY 36 -11.949 -5.100 -5.637 277 H LYS 37 HN LYS 37 -12.203 -5.568 -3.364 278 HA LYS 37 HA LYS 37 -10.224 -4.976 -1.474 279 HB2 LYS 37 HB2 LYS 37 -11.513 -6.231 0.017 280 HB3 LYS 37 HB3 LYS 37 -12.682 -5.590 -1.120 281 HG2 LYS 37 HG2 LYS 37 -12.692 -7.730 -2.371 282 HG3 LYS 37 HG3 LYS 37 -11.442 -8.375 -1.326 283 HD2 LYS 37 HD2 LYS 37 -13.923 -7.322 0.010 284 HD3 LYS 37 HD3 LYS 37 -14.082 -8.817 -0.890 285 HE2 LYS 37 HE2 LYS 37 -13.229 -9.912 0.906 286 HE3 LYS 37 HE3 LYS 37 -11.687 -9.144 0.579 287 HZ1 LYS 37 HZ1 LYS 37 -13.823 -7.969 2.280 288 HZ2 LYS 37 HZ2 LYS 37 -12.463 -8.668 2.839 289 H ILE 38 HN ILE 38 -8.620 -6.335 -0.486 290 HA ILE 38 HA ILE 38 -7.764 -8.505 -2.273 291 HB ILE 38 HB ILE 38 -6.019 -6.739 -0.556 292 HG12 ILE 38 HG12 ILE 38 -6.334 -6.584 -3.561 293 HG13 ILE 38 HG13 ILE 38 -7.234 -5.560 -2.460 294 HG21 ILE 38 HG21 ILE 38 -4.202 -7.702 -1.962 295 HG22 ILE 38 HG22 ILE 38 -5.016 -8.889 -0.916 296 HG23 ILE 38 HG23 ILE 38 -5.392 -8.829 -2.655 297 HD11 ILE 38 HD11 ILE 38 -4.792 -4.889 -3.459 298 HD12 ILE 38 HD12 ILE 38 -5.389 -4.308 -1.886 299 HD13 ILE 38 HD13 ILE 38 -4.290 -5.707 -1.959 300 H GLU 39 HN GLU 39 -7.414 -10.513 -1.391 301 HA GLU 39 HA GLU 39 -8.124 -10.716 1.409 302 HB2 GLU 39 HB2 GLU 39 -9.026 -12.127 -0.745 303 HB3 GLU 39 HB3 GLU 39 -7.714 -13.175 -0.244 304 HG2 GLU 39 HG2 GLU 39 -9.336 -12.223 2.037 305 HG3 GLU 39 HG3 GLU 39 -10.286 -13.116 0.866 306 HE2 GLU 39 HE2 GLU 39 -7.627 -14.034 3.300 307 H GLY 40 HN GLY 40 -6.736 -11.578 2.981 308 HA2 GLY 40 HA1 GLY 40 -4.859 -12.814 3.656 309 HA3 GLY 40 HA2 GLY 40 -4.126 -12.583 2.081 310 H PHE 41 HN PHE 41 -4.692 -9.708 1.836 311 HA PHE 41 HA PHE 41 -2.428 -8.750 3.220 312 HB2 PHE 41 HB2 PHE 41 -3.332 -7.972 0.975 313 HB3 PHE 41 HB3 PHE 41 -4.769 -7.367 1.776 314 HD1 PHE 41 HD2 PHE 41 -4.391 -5.558 3.607 315 HD2 PHE 41 HD1 PHE 41 -1.515 -6.559 0.652 316 HE1 PHE 41 HE2 PHE 41 -3.266 -3.341 3.951 317 HE2 PHE 41 HE1 PHE 41 -0.390 -4.342 0.995 318 HZ PHE 41 HZ PHE 41 -1.279 -2.759 2.641 319 H GLY 42 HN GLY 42 -2.458 -8.539 5.427 320 HA2 GLY 42 HA1 GLY 42 -4.466 -6.741 6.553 321 HA3 GLY 42 HA2 GLY 42 -4.405 -8.369 7.200 322 H LYS 43 HN LYS 43 -1.321 -7.414 6.016 323 HA LYS 43 HA LYS 43 -0.209 -5.742 7.759 324 HB2 LYS 43 HB2 LYS 43 -1.099 -8.093 9.228 325 HB3 LYS 43 HB3 LYS 43 0.632 -7.869 9.376 326 HG2 LYS 43 HG2 LYS 43 -0.261 -5.268 9.670 327 HG3 LYS 43 HG3 LYS 43 -1.591 -6.159 10.382 328 HD2 LYS 43 HD2 LYS 43 0.774 -7.401 11.374 329 HD3 LYS 43 HD3 LYS 43 1.082 -5.678 11.457 330 HE2 LYS 43 HE2 LYS 43 -0.396 -5.391 13.171 331 HE3 LYS 43 HE3 LYS 43 -1.645 -6.311 12.356 332 HZ1 LYS 43 HZ1 LYS 43 -1.130 -8.109 13.587 333 HZ2 LYS 43 HZ2 LYS 43 0.464 -8.012 13.268 334 H GLU 44 HN GLU 44 0.836 -9.185 7.764 335 HA GLU 44 HA GLU 44 3.327 -8.897 7.056 336 HB2 GLU 44 HB2 GLU 44 1.285 -10.979 6.386 337 HB3 GLU 44 HB3 GLU 44 2.796 -11.076 5.504 338 HG2 GLU 44 HG2 GLU 44 2.494 -12.256 7.897 339 HG3 GLU 44 HG3 GLU 44 4.037 -11.595 7.392 340 HE2 GLU 44 HE2 GLU 44 2.027 -10.226 10.443 341 H MET 45 HN MET 45 0.652 -9.103 4.600 342 HA MET 45 HA MET 45 2.149 -8.849 2.366 343 HB2 MET 45 HB2 MET 45 -0.633 -7.951 3.184 344 HB3 MET 45 HB3 MET 45 -0.046 -7.463 1.607 345 HG2 MET 45 HG2 MET 45 -1.112 -9.516 1.132 346 HG3 MET 45 HG3 MET 45 0.567 -9.996 1.278 347 HE1 MET 45 HE1 MET 45 -1.699 -12.423 1.850 348 HE2 MET 45 HE2 MET 45 0.036 -12.231 1.503 349 HE3 MET 45 HE3 MET 45 -0.487 -13.064 2.986 350 H ALA 46 HN ALA 46 0.635 -6.121 4.242 351 HA ALA 46 HA ALA 46 1.723 -4.086 2.689 352 HB1 ALA 46 HB1 ALA 46 1.176 -3.863 5.658 353 HB2 ALA 46 HB2 ALA 46 0.913 -2.654 4.378 354 HB3 ALA 46 HB3 ALA 46 -0.149 -4.077 4.489 355 H HIS 47 HN HIS 47 2.956 -5.815 5.607 356 HA HIS 47 HA HIS 47 5.331 -4.198 5.608 357 HB2 HIS 47 HB2 HIS 47 4.574 -6.625 7.260 358 HB3 HIS 47 HB3 HIS 47 5.975 -5.607 7.529 359 HD1 HIS 47 HD1 HIS 47 3.106 -6.133 9.238 360 HD2 HIS 47 HD2 HIS 47 4.570 -2.643 7.429 361 HE1 HIS 47 HE1 HIS 47 1.956 -4.182 10.413 362 H GLY 48 HN GLY 48 4.361 -6.253 3.382 363 HA2 GLY 48 HA1 GLY 48 7.048 -7.156 2.780 364 HA3 GLY 48 HA2 GLY 48 5.899 -8.437 3.114 365 H LYS 49 HN LYS 49 5.474 -9.325 1.112 366 HA LYS 49 HA LYS 49 5.387 -7.823 -1.250 367 HB2 LYS 49 HB2 LYS 49 4.698 -9.849 -2.297 368 HB3 LYS 49 HB3 LYS 49 5.856 -10.272 -1.052 369 HG2 LYS 49 HG2 LYS 49 3.620 -10.484 0.445 370 HG3 LYS 49 HG3 LYS 49 2.881 -10.747 -1.122 371 HD2 LYS 49 HD2 LYS 49 3.519 -12.917 -0.234 372 HD3 LYS 49 HD3 LYS 49 4.583 -12.560 -1.580 373 HE2 LYS 49 HE2 LYS 49 5.960 -11.435 0.570 374 HE3 LYS 49 HE3 LYS 49 5.223 -12.846 1.302 375 HZ1 LYS 49 HZ1 LYS 49 6.243 -13.637 -1.179 376 HZ2 LYS 49 HZ2 LYS 49 7.420 -12.777 -0.453 377 H GLY 50 HN GLY 50 4.053 -5.971 -0.572 378 HA2 GLY 50 HA1 GLY 50 1.362 -6.275 -1.442 379 HA3 GLY 50 HA2 GLY 50 1.436 -6.112 0.301 380 H CYS 51 HN CYS 51 3.529 -4.350 0.757 381 HA CYS 51 HA CYS 51 2.925 -2.040 -0.918 382 HB2 CYS 51 HB2 CYS 51 2.956 -1.923 2.102 383 HB3 CYS 51 HB3 CYS 51 2.664 -0.595 0.997 384 H LYS 52 HN LYS 52 4.849 -3.284 1.916 385 HA LYS 52 HA LYS 52 7.050 -1.598 1.375 386 HB2 LYS 52 HB2 LYS 52 6.197 -3.301 3.445 387 HB3 LYS 52 HB3 LYS 52 7.717 -3.977 2.895 388 HG2 LYS 52 HG2 LYS 52 7.501 -0.986 3.321 389 HG3 LYS 52 HG3 LYS 52 7.692 -2.035 4.712 390 HD2 LYS 52 HD2 LYS 52 9.544 -2.385 2.342 391 HD3 LYS 52 HD3 LYS 52 9.827 -1.060 3.455 392 HE2 LYS 52 HE2 LYS 52 10.211 -2.520 5.301 393 HE3 LYS 52 HE3 LYS 52 9.407 -3.870 4.525 394 HZ1 LYS 52 HZ1 LYS 52 12.054 -3.575 4.523 395 HZ2 LYS 52 HZ2 LYS 52 11.274 -4.372 3.336 396 H GLY 53 HN GLY 53 6.401 -5.116 0.777 397 HA2 GLY 53 HA1 GLY 53 8.665 -6.022 -0.287 398 HA3 GLY 53 HA2 GLY 53 7.097 -6.383 -0.981 399 H CYS 54 HN CYS 54 6.304 -3.895 -2.047 400 HA CYS 54 HA CYS 54 7.924 -3.852 -4.378 401 HB2 CYS 54 HB2 CYS 54 5.431 -3.589 -4.377 402 HB3 CYS 54 HB3 CYS 54 5.627 -2.013 -3.636 403 H HIS 55 HN HIS 55 7.268 -1.702 -1.549 404 HA HIS 55 HA HIS 55 8.708 0.490 -2.427 405 HB2 HIS 55 HB2 HIS 55 8.148 -0.534 0.368 406 HB3 HIS 55 HB3 HIS 55 8.863 1.030 0.030 407 HD1 HIS 55 HD1 HIS 55 6.119 0.775 1.478 408 HD2 HIS 55 HD2 HIS 55 6.580 1.354 -2.651 409 HE1 HIS 55 HE1 HIS 55 3.941 1.819 0.655 410 H GLU 56 HN GLU 56 9.737 -2.447 -0.595 411 HA GLU 56 HA GLU 56 12.410 -1.489 -0.440 412 HB2 GLU 56 HB2 GLU 56 12.772 -3.955 0.365 413 HB3 GLU 56 HB3 GLU 56 11.847 -2.861 1.375 414 HG2 GLU 56 HG2 GLU 56 9.875 -3.995 1.035 415 HG3 GLU 56 HG3 GLU 56 10.213 -4.287 -0.660 416 HE2 GLU 56 HE2 GLU 56 9.464 -5.957 1.651 417 H GLU 57 HN GLU 57 10.458 -3.444 -2.645 418 HA GLU 57 HA GLU 57 12.692 -4.666 -3.887 419 HB2 GLU 57 HB2 GLU 57 10.571 -5.817 -3.962 420 HB3 GLU 57 HB3 GLU 57 9.752 -4.419 -4.629 421 HG2 GLU 57 HG2 GLU 57 11.489 -4.658 -6.611 422 HG3 GLU 57 HG3 GLU 57 11.714 -6.284 -5.997 423 HE2 GLU 57 HE2 GLU 57 8.522 -4.469 -6.924 424 H MET 58 HN MET 58 10.776 -1.693 -4.314 425 HA MET 58 HA MET 58 12.183 -1.166 -6.793 426 HB2 MET 58 HB2 MET 58 9.882 0.262 -5.349 427 HB3 MET 58 HB3 MET 58 10.551 0.808 -6.873 428 HG2 MET 58 HG2 MET 58 10.059 -1.706 -7.642 429 HG3 MET 58 HG3 MET 58 8.933 -1.684 -6.300 430 HE1 MET 58 HE1 MET 58 7.303 -1.144 -9.929 431 HE2 MET 58 HE2 MET 58 9.018 -0.747 -10.194 432 HE3 MET 58 HE3 MET 58 8.574 -2.171 -9.224 433 H LYS 59 HN LYS 59 11.664 0.137 -3.471 434 HA LYS 59 HA LYS 59 13.000 1.383 -2.208 435 HB2 LYS 59 HB2 LYS 59 14.974 1.574 -4.496 436 HB3 LYS 59 HB3 LYS 59 15.278 1.860 -2.795 437 HG2 LYS 59 HG2 LYS 59 14.146 -0.823 -3.563 438 HG3 LYS 59 HG3 LYS 59 15.820 -0.510 -3.976 439 HD2 LYS 59 HD2 LYS 59 14.778 0.040 -1.172 440 HD3 LYS 59 HD3 LYS 59 15.290 -1.569 -1.640 441 HE2 LYS 59 HE2 LYS 59 17.547 -0.842 -2.083 442 HE3 LYS 59 HE3 LYS 59 17.089 0.849 -2.072 443 HZ1 LYS 59 HZ1 LYS 59 17.610 -0.896 0.181 444 HZ2 LYS 59 HZ2 LYS 59 17.786 0.719 0.072 445 H LYS 60 HN LYS 60 10.786 2.471 -3.345 446 HA LYS 60 HA LYS 60 11.723 5.181 -3.933 447 HB2 LYS 60 HB2 LYS 60 10.025 3.437 -5.629 448 HB3 LYS 60 HB3 LYS 60 9.447 5.077 -5.413 449 HG2 LYS 60 HG2 LYS 60 11.132 5.966 -6.677 450 HG3 LYS 60 HG3 LYS 60 12.357 4.976 -5.908 451 HD2 LYS 60 HD2 LYS 60 12.449 3.779 -7.837 452 HD3 LYS 60 HD3 LYS 60 10.889 3.111 -7.401 453 HE2 LYS 60 HE2 LYS 60 9.782 4.334 -8.990 454 HE3 LYS 60 HE3 LYS 60 10.670 5.798 -8.618 455 HZ1 LYS 60 HZ1 LYS 60 12.606 4.534 -9.807 456 HZ2 LYS 60 HZ2 LYS 60 11.416 3.651 -10.483 457 H GLY 61 HN GLY 61 9.037 2.994 -2.910 458 HA2 GLY 61 HA1 GLY 61 7.533 5.124 -1.715 459 HA3 GLY 61 HA2 GLY 61 7.234 3.401 -1.598 460 HA PRO 62 HA PRO 62 8.895 4.961 2.474 461 HB2 PRO 62 HB2 PRO 62 6.720 4.383 4.003 462 HB3 PRO 62 HB3 PRO 62 6.792 5.861 2.989 463 HG2 PRO 62 HG2 PRO 62 5.138 3.216 2.060 464 HG3 PRO 62 HG3 PRO 62 5.041 4.979 2.376 465 HD2 PRO 62 HD2 PRO 62 5.920 3.659 -0.035 466 HD3 PRO 62 HD3 PRO 62 6.064 5.403 0.344 467 H THR 63 HN THR 63 10.108 3.521 3.735 468 HA THR 63 HA THR 63 9.130 0.758 3.866 469 HB THR 63 HB THR 63 11.748 0.269 3.572 470 HG1 THR 63 HG1 THR 63 12.424 2.000 1.932 471 HG21 THR 63 HG21 THR 63 11.195 -0.490 1.476 472 HG22 THR 63 HG22 THR 63 9.562 0.130 1.816 473 HG23 THR 63 HG23 THR 63 10.732 1.140 0.932 474 H LYS 64 HN LYS 64 9.107 3.151 5.705 475 HA LYS 64 HA LYS 64 10.532 1.803 7.881 476 HB2 LYS 64 HB2 LYS 64 11.296 4.265 6.764 477 HB3 LYS 64 HB3 LYS 64 10.451 4.683 8.241 478 HG2 LYS 64 HG2 LYS 64 12.898 4.286 8.615 479 HG3 LYS 64 HG3 LYS 64 11.892 3.213 9.566 480 HD2 LYS 64 HD2 LYS 64 12.479 1.327 8.335 481 HD3 LYS 64 HD3 LYS 64 12.688 2.225 6.845 482 HE2 LYS 64 HE2 LYS 64 14.918 1.771 7.350 483 HE3 LYS 64 HE3 LYS 64 14.745 3.326 8.141 484 HZ1 LYS 64 HZ1 LYS 64 15.604 1.143 9.410 485 HZ2 LYS 64 HZ2 LYS 64 14.851 2.359 10.189 486 H CYS 65 HN CYS 65 9.552 2.127 10.004 487 HA CYS 65 HA CYS 65 6.807 1.882 9.936 488 HB2 CYS 65 HB2 CYS 65 8.254 2.863 12.378 489 HB3 CYS 65 HB3 CYS 65 6.870 1.794 12.268 490 H GLY 66 HN GLY 66 8.969 4.707 10.568 491 HA2 GLY 66 HA1 GLY 66 6.714 6.484 10.996 492 HA3 GLY 66 HA2 GLY 66 8.420 6.880 11.051 493 H GLU 67 HN GLU 67 7.490 4.977 8.285 494 HA GLU 67 HA GLU 67 7.508 7.425 6.698 495 HB2 GLU 67 HB2 GLU 67 9.199 5.133 6.568 496 HB3 GLU 67 HB3 GLU 67 8.171 5.054 5.151 497 HG2 GLU 67 HG2 GLU 67 8.761 7.637 4.922 498 HG3 GLU 67 HG3 GLU 67 10.115 7.232 5.958 499 HE2 GLU 67 HE2 GLU 67 9.082 7.228 2.832 500 H CYS 68 HN CYS 68 5.504 5.076 7.920 501 HA CYS 68 HA CYS 68 3.737 5.317 5.603 502 HB2 CYS 68 HB2 CYS 68 4.810 2.859 6.742 503 HB3 CYS 68 HB3 CYS 68 3.059 2.880 6.817 504 H HIS 69 HN HIS 69 3.885 4.119 9.046 505 HA HIS 69 HA HIS 69 1.233 4.979 9.551 506 HB2 HIS 69 HB2 HIS 69 3.437 4.076 11.426 507 HB3 HIS 69 HB3 HIS 69 1.768 4.336 11.893 508 HD1 HIS 69 HD1 HIS 69 -0.047 2.739 10.570 509 HD2 HIS 69 HD2 HIS 69 3.975 1.551 10.486 510 HE1 HIS 69 HE1 HIS 69 -0.043 0.274 9.912 511 H LYS 70 HN LYS 70 0.676 7.098 9.643 512 HA LYS 70 HA LYS 70 2.171 8.798 11.429 513 HB2 LYS 70 HB2 LYS 70 3.461 9.172 9.446 514 HB3 LYS 70 HB3 LYS 70 2.027 9.344 8.455 515 HG2 LYS 70 HG2 LYS 70 2.521 11.589 8.819 516 HG3 LYS 70 HG3 LYS 70 1.439 11.304 10.168 517 HD2 LYS 70 HD2 LYS 70 3.285 12.371 11.189 518 HD3 LYS 70 HD3 LYS 70 3.580 10.676 11.522 519 HE2 LYS 70 HE2 LYS 70 5.672 11.241 10.693 520 HE3 LYS 70 HE3 LYS 70 4.901 10.792 9.184 521 HZ1 LYS 70 HZ1 LYS 70 6.072 13.104 9.417 522 HZ2 LYS 70 HZ2 LYS 70 4.690 12.999 8.561 523 H LYS 71 HN LYS 71 0.645 9.693 12.697 524 HA LYS 71 HA LYS 71 -2.056 9.496 12.208 525 HB2 LYS 71 HB2 LYS 71 -0.708 10.026 14.371 526 HB3 LYS 71 HB3 LYS 71 -0.873 11.701 13.886 527 HG2 LYS 71 HG2 LYS 71 -3.453 10.480 13.557 528 HG3 LYS 71 HG3 LYS 71 -2.847 9.975 15.122 529 HD2 LYS 71 HD2 LYS 71 -2.370 12.847 14.563 530 HD3 LYS 71 HD3 LYS 71 -4.070 12.421 14.570 531 HE2 LYS 71 HE2 LYS 71 -3.566 12.972 16.843 532 HE3 LYS 71 HE3 LYS 71 -3.641 11.222 16.811 533 HZ1 LYS 71 HZ1 LYS 71 -1.643 11.652 17.905 534 HZ2 LYS 71 HZ2 LYS 71 -1.103 11.408 16.388 Start of MODEL 17 1 H1 ALA 1 HN ALA 1 -10.241 4.569 -3.350 2 HA ALA 1 HA ALA 1 -11.036 6.523 -4.947 3 HB1 ALA 1 HB1 ALA 1 -11.763 8.382 -3.841 4 HB2 ALA 1 HB2 ALA 1 -12.238 7.197 -2.601 5 HB3 ALA 1 HB3 ALA 1 -10.707 8.089 -2.438 6 H ASP 2 HN ASP 2 -9.349 8.551 -4.847 7 HA ASP 2 HA ASP 2 -6.927 7.530 -5.328 8 HB2 ASP 2 HB2 ASP 2 -7.262 9.779 -5.963 9 HB3 ASP 2 HB3 ASP 2 -7.870 10.241 -4.386 10 HD2 ASP 2 HD2 ASP 2 -4.054 9.727 -3.814 11 H ASP 3 HN ASP 3 -7.957 9.226 -2.262 12 HA ASP 3 HA ASP 3 -5.637 8.128 -0.949 13 HB2 ASP 3 HB2 ASP 3 -6.506 10.568 -0.722 14 HB3 ASP 3 HB3 ASP 3 -7.796 9.905 0.262 15 HD2 ASP 3 HD2 ASP 3 -5.846 11.458 2.140 16 H ILE 4 HN ILE 4 -5.935 6.063 -0.087 17 HA ILE 4 HA ILE 4 -8.585 5.468 1.031 18 HB ILE 4 HB ILE 4 -6.682 3.915 -0.618 19 HG12 ILE 4 HG12 ILE 4 -9.694 3.968 -0.287 20 HG13 ILE 4 HG13 ILE 4 -8.763 4.718 -1.568 21 HG21 ILE 4 HG21 ILE 4 -6.413 2.408 1.071 22 HG22 ILE 4 HG22 ILE 4 -7.954 2.833 1.855 23 HG23 ILE 4 HG23 ILE 4 -7.949 1.815 0.395 24 HD11 ILE 4 HD11 ILE 4 -9.273 2.761 -2.670 25 HD12 ILE 4 HD12 ILE 4 -7.833 2.170 -1.805 26 HD13 ILE 4 HD13 ILE 4 -9.458 1.839 -1.158 27 H VAL 5 HN VAL 5 -8.110 6.421 3.080 28 HA VAL 5 HA VAL 5 -5.770 5.794 4.506 29 HB VAL 5 HB VAL 5 -8.475 6.682 5.526 30 HG11 VAL 5 HG11 VAL 5 -6.463 7.871 7.044 31 HG12 VAL 5 HG12 VAL 5 -7.496 6.505 7.531 32 HG13 VAL 5 HG13 VAL 5 -5.898 6.200 6.809 33 HG21 VAL 5 HG21 VAL 5 -8.150 8.706 4.638 34 HG22 VAL 5 HG22 VAL 5 -6.479 8.777 5.248 35 HG23 VAL 5 HG23 VAL 5 -6.824 7.998 3.685 36 H LEU 6 HN LEU 6 -5.185 3.978 5.585 37 HA LEU 6 HA LEU 6 -7.185 1.878 5.789 38 HB2 LEU 6 HB2 LEU 6 -4.181 1.916 6.064 39 HB3 LEU 6 HB3 LEU 6 -5.161 0.504 6.406 40 HG LEU 6 HG LEU 6 -5.260 1.893 3.727 41 HD11 LEU 6 HD11 LEU 6 -3.480 -0.465 4.370 42 HD12 LEU 6 HD12 LEU 6 -3.558 0.486 2.866 43 HD13 LEU 6 HD13 LEU 6 -2.905 1.220 4.351 44 HD21 LEU 6 HD21 LEU 6 -6.533 -0.435 4.923 45 HD22 LEU 6 HD22 LEU 6 -6.918 0.442 3.422 46 HD23 LEU 6 HD23 LEU 6 -5.678 -0.835 3.414 47 H LYS 7 HN LYS 7 -7.217 0.550 7.851 48 HA LYS 7 HA LYS 7 -7.430 2.405 10.057 49 HB2 LYS 7 HB2 LYS 7 -8.487 0.429 11.191 50 HB3 LYS 7 HB3 LYS 7 -9.307 0.985 9.746 51 HG2 LYS 7 HG2 LYS 7 -8.739 -0.902 8.516 52 HG3 LYS 7 HG3 LYS 7 -7.204 -1.112 9.334 53 HD2 LYS 7 HD2 LYS 7 -8.270 -2.845 10.389 54 HD3 LYS 7 HD3 LYS 7 -8.905 -1.584 11.428 55 HE2 LYS 7 HE2 LYS 7 -10.406 -2.093 8.875 56 HE3 LYS 7 HE3 LYS 7 -10.498 -3.345 10.097 57 HZ1 LYS 7 HZ1 LYS 7 -10.868 -0.684 11.153 58 HZ2 LYS 7 HZ2 LYS 7 -12.023 -1.113 10.088 59 H ALA 8 HN ALA 8 -5.700 2.836 11.309 60 HA ALA 8 HA ALA 8 -4.175 0.654 12.365 61 HB1 ALA 8 HB1 ALA 8 -2.799 2.709 10.589 62 HB2 ALA 8 HB2 ALA 8 -2.011 1.400 11.502 63 HB3 ALA 8 HB3 ALA 8 -3.098 1.011 10.147 64 H LYS 9 HN LYS 9 -4.341 1.216 14.482 65 HA LYS 9 HA LYS 9 -4.624 3.927 15.268 66 HB2 LYS 9 HB2 LYS 9 -4.341 1.300 16.722 67 HB3 LYS 9 HB3 LYS 9 -4.316 2.819 17.595 68 HG2 LYS 9 HG2 LYS 9 -6.589 2.700 17.590 69 HG3 LYS 9 HG3 LYS 9 -6.502 3.161 15.901 70 HD2 LYS 9 HD2 LYS 9 -7.751 1.191 15.744 71 HD3 LYS 9 HD3 LYS 9 -6.134 0.568 15.483 72 HE2 LYS 9 HE2 LYS 9 -6.869 -0.909 17.131 73 HE3 LYS 9 HE3 LYS 9 -6.120 0.313 18.139 74 HZ1 LYS 9 HZ1 LYS 9 -8.118 0.628 19.082 75 HZ2 LYS 9 HZ2 LYS 9 -8.750 1.134 17.669 76 H ASN 10 HN ASN 10 -1.962 2.137 14.200 77 HA ASN 10 HA ASN 10 -0.108 3.343 16.021 78 HB2 ASN 10 HB2 ASN 10 0.238 1.579 13.543 79 HB3 ASN 10 HB3 ASN 10 1.595 2.182 14.473 80 HD21 ASN 10 HD21 ASN 10 2.217 1.180 16.267 81 HD22 ASN 10 HD22 ASN 10 1.416 -0.159 17.018 82 H GLY 11 HN GLY 11 -1.922 4.453 13.478 83 HA2 GLY 11 HA1 GLY 11 -1.342 6.771 12.847 84 HA3 GLY 11 HA2 GLY 11 0.245 6.167 12.414 85 H ASP 12 HN ASP 12 -2.878 6.882 11.257 86 HA ASP 12 HA ASP 12 -3.561 5.027 9.496 87 HB2 ASP 12 HB2 ASP 12 -3.668 7.997 9.562 88 HB3 ASP 12 HB3 ASP 12 -3.813 7.329 7.948 89 HD2 ASP 12 HD2 ASP 12 -7.026 7.806 8.979 90 H VAL 13 HN VAL 13 -3.049 4.609 7.183 91 HA VAL 13 HA VAL 13 -0.379 5.578 6.424 92 HB VAL 13 HB VAL 13 -1.592 2.857 5.901 93 HG11 VAL 13 HG11 VAL 13 1.319 3.430 5.559 94 HG12 VAL 13 HG12 VAL 13 0.257 2.307 4.674 95 HG13 VAL 13 HG13 VAL 13 0.203 4.051 4.319 96 HG21 VAL 13 HG21 VAL 13 -0.802 2.162 7.866 97 HG22 VAL 13 HG22 VAL 13 0.816 2.795 7.480 98 HG23 VAL 13 HG23 VAL 13 -0.387 3.847 8.264 99 H LYS 14 HN LYS 14 -1.472 7.363 5.328 100 HA LYS 14 HA LYS 14 -3.492 7.005 3.465 101 HB2 LYS 14 HB2 LYS 14 -3.072 9.186 4.248 102 HB3 LYS 14 HB3 LYS 14 -1.365 9.106 3.862 103 HG2 LYS 14 HG2 LYS 14 -2.579 8.621 1.386 104 HG3 LYS 14 HG3 LYS 14 -3.655 9.794 2.120 105 HD2 LYS 14 HD2 LYS 14 -2.184 11.444 1.628 106 HD3 LYS 14 HD3 LYS 14 -0.999 10.696 2.679 107 HE2 LYS 14 HE2 LYS 14 -0.483 9.111 0.665 108 HE3 LYS 14 HE3 LYS 14 -1.386 10.255 -0.307 109 HZ1 LYS 14 HZ1 LYS 14 1.200 10.543 0.136 110 HZ2 LYS 14 HZ2 LYS 14 0.236 11.841 -0.060 111 H LEU 15 HN LEU 15 -3.506 5.720 1.706 112 HA LEU 15 HA LEU 15 -0.946 5.349 0.322 113 HB2 LEU 15 HB2 LEU 15 -1.580 3.252 0.964 114 HB3 LEU 15 HB3 LEU 15 -3.294 3.599 0.850 115 HG LEU 15 HG LEU 15 -2.650 3.773 -1.765 116 HD11 LEU 15 HD11 LEU 15 -0.953 1.431 -1.051 117 HD12 LEU 15 HD12 LEU 15 -0.891 2.513 -2.462 118 HD13 LEU 15 HD13 LEU 15 -0.237 3.053 -0.897 119 HD21 LEU 15 HD21 LEU 15 -3.282 1.257 -1.829 120 HD22 LEU 15 HD22 LEU 15 -3.484 1.434 -0.070 121 HD23 LEU 15 HD23 LEU 15 -4.450 2.434 -1.182 122 HA PRO 16 HA PRO 16 -2.783 8.243 -2.552 123 HB2 PRO 16 HB2 PRO 16 -0.171 7.650 -3.921 124 HB3 PRO 16 HB3 PRO 16 -0.899 9.210 -3.416 125 HG2 PRO 16 HG2 PRO 16 1.224 8.163 -1.963 126 HG3 PRO 16 HG3 PRO 16 -0.228 9.091 -1.464 127 HD2 PRO 16 HD2 PRO 16 0.284 6.065 -1.391 128 HD3 PRO 16 HD3 PRO 16 -0.308 7.125 -0.076 129 H HIS 17 HN HIS 17 -4.198 6.055 -2.846 130 HA HIS 17 HA HIS 17 -3.573 4.102 -4.576 131 HB2 HIS 17 HB2 HIS 17 -5.705 4.433 -3.280 132 HB3 HIS 17 HB3 HIS 17 -6.240 5.538 -4.531 133 HD1 HIS 17 HD1 HIS 17 -7.461 4.519 -6.475 134 HD2 HIS 17 HD2 HIS 17 -5.200 1.694 -4.352 135 HE1 HIS 17 HE1 HIS 17 -8.024 2.245 -7.488 136 H LYS 18 HN LYS 18 -5.031 7.298 -5.521 137 HA LYS 18 HA LYS 18 -5.052 6.933 -8.219 138 HB2 LYS 18 HB2 LYS 18 -6.109 8.841 -7.367 139 HB3 LYS 18 HB3 LYS 18 -4.693 9.363 -6.478 140 HG2 LYS 18 HG2 LYS 18 -5.195 10.662 -8.632 141 HG3 LYS 18 HG3 LYS 18 -3.555 10.067 -8.469 142 HD2 LYS 18 HD2 LYS 18 -3.847 8.386 -10.088 143 HD3 LYS 18 HD3 LYS 18 -5.579 8.294 -9.838 144 HE2 LYS 18 HE2 LYS 18 -5.825 9.623 -11.664 145 HE3 LYS 18 HE3 LYS 18 -5.178 10.942 -10.710 146 HZ1 LYS 18 HZ1 LYS 18 -3.691 9.158 -12.540 147 HZ2 LYS 18 HZ2 LYS 18 -3.767 10.785 -12.571 148 H ALA 19 HN ALA 19 -2.384 8.625 -6.413 149 HA ALA 19 HA ALA 19 -0.621 8.769 -8.497 150 HB1 ALA 19 HB1 ALA 19 0.433 9.842 -6.829 151 HB2 ALA 19 HB2 ALA 19 -0.618 9.066 -5.620 152 HB3 ALA 19 HB3 ALA 19 0.882 8.262 -6.142 153 H HIS 20 HN HIS 20 -1.151 6.066 -6.153 154 HA HIS 20 HA HIS 20 0.927 4.482 -7.151 155 HB2 HIS 20 HB2 HIS 20 -1.464 4.074 -5.406 156 HB3 HIS 20 HB3 HIS 20 -0.692 2.648 -6.072 157 HD1 HIS 20 HD1 HIS 20 -0.017 5.574 -3.760 158 HD2 HIS 20 HD2 HIS 20 1.777 1.970 -4.939 159 HE1 HIS 20 HE1 HIS 20 1.930 5.186 -2.156 160 H GLN 21 HN GLN 21 -2.289 5.243 -8.326 161 HA GLN 21 HA GLN 21 -2.439 2.901 -9.948 162 HB2 GLN 21 HB2 GLN 21 -4.141 5.364 -9.542 163 HB3 GLN 21 HB3 GLN 21 -4.415 4.368 -10.958 164 HG2 GLN 21 HG2 GLN 21 -4.615 2.349 -9.425 165 HG3 GLN 21 HG3 GLN 21 -4.493 3.431 -8.052 166 HE21 GLN 21 HE21 GLN 21 -6.037 5.262 -7.987 167 HE22 GLN 21 HE22 GLN 21 -7.672 4.991 -8.494 168 H LYS 22 HN LYS 22 -0.773 5.882 -10.087 169 HA LYS 22 HA LYS 22 -0.752 5.844 -13.017 170 HB2 LYS 22 HB2 LYS 22 -1.381 7.953 -11.721 171 HB3 LYS 22 HB3 LYS 22 0.293 8.035 -11.212 172 HG2 LYS 22 HG2 LYS 22 0.499 9.279 -13.144 173 HG3 LYS 22 HG3 LYS 22 0.721 7.696 -13.861 174 HD2 LYS 22 HD2 LYS 22 -1.527 7.604 -14.664 175 HD3 LYS 22 HD3 LYS 22 -2.067 8.866 -13.575 176 HE2 LYS 22 HE2 LYS 22 -0.087 10.183 -15.015 177 HE3 LYS 22 HE3 LYS 22 -0.743 9.100 -16.227 178 HZ1 LYS 22 HZ1 LYS 22 -2.906 10.016 -15.910 179 HZ2 LYS 22 HZ2 LYS 22 -2.491 10.811 -14.550 180 H ALA 23 HN ALA 23 1.153 5.359 -10.067 181 HA ALA 23 HA ALA 23 3.639 5.289 -11.529 182 HB1 ALA 23 HB1 ALA 23 3.504 6.180 -9.227 183 HB2 ALA 23 HB2 ALA 23 2.943 4.594 -8.646 184 HB3 ALA 23 HB3 ALA 23 4.584 4.768 -9.311 185 H VAL 24 HN VAL 24 1.024 3.134 -10.627 186 HA VAL 24 HA VAL 24 2.623 0.906 -11.667 187 HB VAL 24 HB VAL 24 0.908 1.039 -9.199 188 HG11 VAL 24 HG11 VAL 24 -0.033 -0.881 -10.051 189 HG12 VAL 24 HG12 VAL 24 1.415 -1.308 -10.993 190 HG13 VAL 24 HG13 VAL 24 1.393 -1.561 -9.232 191 HG21 VAL 24 HG21 VAL 24 3.657 1.126 -9.614 192 HG22 VAL 24 HG22 VAL 24 2.829 0.772 -8.079 193 HG23 VAL 24 HG23 VAL 24 3.352 -0.561 -9.135 194 HA PRO 25 HA PRO 25 -1.093 1.885 -14.266 195 HB2 PRO 25 HB2 PRO 25 0.834 0.585 -16.197 196 HB3 PRO 25 HB3 PRO 25 -0.178 2.057 -16.367 197 HG2 PRO 25 HG2 PRO 25 2.520 2.295 -15.916 198 HG3 PRO 25 HG3 PRO 25 1.176 3.323 -15.320 199 HD2 PRO 25 HD2 PRO 25 2.748 1.116 -13.901 200 HD3 PRO 25 HD3 PRO 25 2.258 2.722 -13.282 201 H ASP 26 HN ASP 26 0.798 -0.955 -13.331 202 HA ASP 26 HA ASP 26 -1.082 -2.701 -14.633 203 HB2 ASP 26 HB2 ASP 26 0.763 -3.972 -12.737 204 HB3 ASP 26 HB3 ASP 26 0.567 -4.265 -14.454 205 HD2 ASP 26 HD2 ASP 26 2.262 -3.359 -15.770 206 H CYS 27 HN CYS 27 -3.056 -2.368 -13.431 207 HA CYS 27 HA CYS 27 -2.993 -2.372 -10.578 208 HB2 CYS 27 HB2 CYS 27 -5.535 -2.753 -12.088 209 HB3 CYS 27 HB3 CYS 27 -5.209 -1.803 -10.652 210 H LYS 28 HN LYS 28 -1.686 -4.595 -10.915 211 HA LYS 28 HA LYS 28 -3.668 -6.695 -10.495 212 HB2 LYS 28 HB2 LYS 28 -1.965 -8.186 -11.838 213 HB3 LYS 28 HB3 LYS 28 -3.234 -7.299 -12.658 214 HG2 LYS 28 HG2 LYS 28 -1.674 -5.472 -13.208 215 HG3 LYS 28 HG3 LYS 28 -0.404 -6.222 -12.262 216 HD2 LYS 28 HD2 LYS 28 -0.674 -8.284 -13.817 217 HD3 LYS 28 HD3 LYS 28 -1.645 -7.251 -14.847 218 HE2 LYS 28 HE2 LYS 28 0.169 -5.935 -15.489 219 HE3 LYS 28 HE3 LYS 28 1.013 -6.155 -13.969 220 HZ1 LYS 28 HZ1 LYS 28 2.236 -7.602 -15.198 221 HZ2 LYS 28 HZ2 LYS 28 1.023 -8.659 -14.944 222 H LYS 29 HN LYS 29 -0.202 -5.661 -10.386 223 HA LYS 29 HA LYS 29 0.674 -7.602 -8.627 224 HB2 LYS 29 HB2 LYS 29 1.638 -4.736 -8.857 225 HB3 LYS 29 HB3 LYS 29 2.531 -6.083 -8.182 226 HG2 LYS 29 HG2 LYS 29 1.447 -6.442 -10.963 227 HG3 LYS 29 HG3 LYS 29 2.773 -5.312 -10.775 228 HD2 LYS 29 HD2 LYS 29 3.579 -7.517 -9.229 229 HD3 LYS 29 HD3 LYS 29 2.787 -8.258 -10.605 230 HE2 LYS 29 HE2 LYS 29 4.230 -7.050 -12.175 231 HE3 LYS 29 HE3 LYS 29 4.913 -6.083 -10.882 232 HZ1 LYS 29 HZ1 LYS 29 5.772 -8.202 -9.911 233 HZ2 LYS 29 HZ2 LYS 29 5.247 -9.014 -11.221 234 H CYS 30 HN CYS 30 -1.502 -4.916 -8.141 235 HA CYS 30 HA CYS 30 -1.160 -5.175 -5.250 236 HB2 CYS 30 HB2 CYS 30 -1.768 -2.923 -7.013 237 HB3 CYS 30 HB3 CYS 30 -2.936 -3.072 -5.715 238 H HIS 31 HN HIS 31 -3.348 -5.535 -8.048 239 HA HIS 31 HA HIS 31 -5.399 -6.543 -6.215 240 HB2 HIS 31 HB2 HIS 31 -5.616 -5.284 -8.957 241 HB3 HIS 31 HB3 HIS 31 -6.940 -6.151 -8.204 242 HD1 HIS 31 HD1 HIS 31 -7.623 -5.145 -5.690 243 HD2 HIS 31 HD2 HIS 31 -5.540 -2.625 -8.318 244 HE1 HIS 31 HE1 HIS 31 -7.992 -2.766 -4.843 245 H GLU 32 HN GLU 32 -5.310 -8.727 -6.055 246 HA GLU 32 HA GLU 32 -4.089 -10.233 -8.124 247 HB2 GLU 32 HB2 GLU 32 -5.315 -10.832 -5.435 248 HB3 GLU 32 HB3 GLU 32 -5.064 -12.162 -6.548 249 HG2 GLU 32 HG2 GLU 32 -2.827 -10.191 -5.948 250 HG3 GLU 32 HG3 GLU 32 -3.138 -11.547 -4.882 251 HE2 GLU 32 HE2 GLU 32 -1.450 -11.222 -8.163 252 H LYS 33 HN LYS 33 -6.991 -11.577 -6.609 253 HA LYS 33 HA LYS 33 -8.092 -12.658 -8.788 254 HB2 LYS 33 HB2 LYS 33 -9.294 -11.536 -6.274 255 HB3 LYS 33 HB3 LYS 33 -10.349 -12.158 -7.526 256 HG2 LYS 33 HG2 LYS 33 -8.236 -14.068 -7.241 257 HG3 LYS 33 HG3 LYS 33 -8.725 -13.633 -5.616 258 HD2 LYS 33 HD2 LYS 33 -10.333 -15.241 -5.970 259 HD3 LYS 33 HD3 LYS 33 -11.192 -13.912 -6.723 260 HE2 LYS 33 HE2 LYS 33 -10.416 -14.574 -8.948 261 HE3 LYS 33 HE3 LYS 33 -9.325 -15.767 -8.271 262 HZ1 LYS 33 HZ1 LYS 33 -12.108 -16.074 -7.494 263 HZ2 LYS 33 HZ2 LYS 33 -11.808 -16.348 -9.071 264 H GLY 34 HN GLY 34 -8.043 -9.215 -7.942 265 HA2 GLY 34 HA1 GLY 34 -8.315 -8.151 -10.378 266 HA3 GLY 34 HA2 GLY 34 -9.983 -8.526 -9.991 267 HA PRO 35 HA PRO 35 -8.708 -4.308 -8.299 268 HB2 PRO 35 HB2 PRO 35 -11.152 -3.591 -9.916 269 HB3 PRO 35 HB3 PRO 35 -9.564 -2.769 -9.768 270 HG2 PRO 35 HG2 PRO 35 -9.770 -4.372 -12.248 271 HG3 PRO 35 HG3 PRO 35 -8.605 -4.110 -10.909 272 HD2 PRO 35 HD2 PRO 35 -10.866 -6.209 -10.925 273 HD3 PRO 35 HD3 PRO 35 -9.153 -6.571 -11.299 274 H GLY 36 HN GLY 36 -9.459 -3.978 -6.208 275 HA2 GLY 36 HA1 GLY 36 -11.714 -3.336 -5.177 276 HA3 GLY 36 HA2 GLY 36 -12.167 -4.973 -5.604 277 H LYS 37 HN LYS 37 -12.495 -5.356 -3.271 278 HA LYS 37 HA LYS 37 -10.539 -5.028 -1.357 279 HB2 LYS 37 HB2 LYS 37 -11.886 -6.346 0.024 280 HB3 LYS 37 HB3 LYS 37 -13.015 -5.624 -1.104 281 HG2 LYS 37 HG2 LYS 37 -13.105 -7.670 -2.440 282 HG3 LYS 37 HG3 LYS 37 -11.791 -8.387 -1.528 283 HD2 LYS 37 HD2 LYS 37 -13.161 -8.490 0.500 284 HD3 LYS 37 HD3 LYS 37 -14.440 -7.561 -0.256 285 HE2 LYS 37 HE2 LYS 37 -14.252 -9.592 -2.070 286 HE3 LYS 37 HE3 LYS 37 -13.702 -10.444 -0.641 287 HZ1 LYS 37 HZ1 LYS 37 -16.154 -10.503 -0.945 288 HZ2 LYS 37 HZ2 LYS 37 -15.740 -9.845 0.486 289 H ILE 38 HN ILE 38 -8.972 -6.458 -0.418 290 HA ILE 38 HA ILE 38 -8.098 -8.528 -2.312 291 HB ILE 38 HB ILE 38 -6.395 -6.893 -0.431 292 HG12 ILE 38 HG12 ILE 38 -6.577 -6.584 -3.435 293 HG13 ILE 38 HG13 ILE 38 -7.518 -5.607 -2.325 294 HG21 ILE 38 HG21 ILE 38 -5.070 -8.698 -0.748 295 HG22 ILE 38 HG22 ILE 38 -5.887 -9.179 -2.255 296 HG23 ILE 38 HG23 ILE 38 -4.693 -7.859 -2.272 297 HD11 ILE 38 HD11 ILE 38 -4.496 -5.738 -2.608 298 HD12 ILE 38 HD12 ILE 38 -5.561 -4.317 -2.729 299 HD13 ILE 38 HD13 ILE 38 -5.261 -5.073 -1.145 300 H GLU 39 HN GLU 39 -7.926 -10.599 -1.573 301 HA GLU 39 HA GLU 39 -8.660 -10.965 1.202 302 HB2 GLU 39 HB2 GLU 39 -9.733 -12.149 -0.913 303 HB3 GLU 39 HB3 GLU 39 -8.351 -13.219 -0.791 304 HG2 GLU 39 HG2 GLU 39 -9.010 -14.073 1.298 305 HG3 GLU 39 HG3 GLU 39 -9.917 -12.634 1.723 306 HE2 GLU 39 HE2 GLU 39 -11.672 -14.871 -1.099 307 H GLY 40 HN GLY 40 -6.997 -11.110 2.644 308 HA2 GLY 40 HA1 GLY 40 -5.253 -12.795 3.263 309 HA3 GLY 40 HA2 GLY 40 -4.508 -12.417 1.723 310 H PHE 41 HN PHE 41 -4.913 -9.594 1.595 311 HA PHE 41 HA PHE 41 -2.773 -8.744 3.216 312 HB2 PHE 41 HB2 PHE 41 -3.450 -7.849 0.941 313 HB3 PHE 41 HB3 PHE 41 -4.951 -7.257 1.626 314 HD1 PHE 41 HD2 PHE 41 -4.676 -5.578 3.635 315 HD2 PHE 41 HD1 PHE 41 -1.650 -6.404 0.777 316 HE1 PHE 41 HE2 PHE 41 -3.567 -3.393 4.178 317 HE2 PHE 41 HE1 PHE 41 -0.540 -4.219 1.321 318 HZ PHE 41 HZ PHE 41 -1.512 -2.740 3.014 319 H GLY 42 HN GLY 42 -2.742 -7.202 4.951 320 HA2 GLY 42 HA1 GLY 42 -5.036 -6.034 6.066 321 HA3 GLY 42 HA2 GLY 42 -4.744 -7.554 6.887 322 H LYS 43 HN LYS 43 -1.796 -7.520 6.528 323 HA LYS 43 HA LYS 43 -0.850 -5.098 7.703 324 HB2 LYS 43 HB2 LYS 43 -2.009 -6.296 9.621 325 HB3 LYS 43 HB3 LYS 43 -0.795 -7.551 9.476 326 HG2 LYS 43 HG2 LYS 43 0.635 -5.078 9.468 327 HG3 LYS 43 HG3 LYS 43 -0.573 -4.929 10.729 328 HD2 LYS 43 HD2 LYS 43 0.373 -7.518 11.137 329 HD3 LYS 43 HD3 LYS 43 1.819 -6.682 10.606 330 HE2 LYS 43 HE2 LYS 43 1.882 -5.295 12.471 331 HE3 LYS 43 HE3 LYS 43 0.138 -5.240 12.629 332 HZ1 LYS 43 HZ1 LYS 43 0.933 -7.884 13.085 333 HZ2 LYS 43 HZ2 LYS 43 1.924 -6.945 13.973 334 H GLU 44 HN GLU 44 0.243 -8.503 8.201 335 HA GLU 44 HA GLU 44 2.799 -8.181 7.650 336 HB2 GLU 44 HB2 GLU 44 0.887 -10.441 7.209 337 HB3 GLU 44 HB3 GLU 44 2.455 -10.602 6.445 338 HG2 GLU 44 HG2 GLU 44 2.047 -11.405 8.971 339 HG3 GLU 44 HG3 GLU 44 3.589 -10.745 8.464 340 HE2 GLU 44 HE2 GLU 44 1.286 -9.619 11.131 341 H MET 45 HN MET 45 0.231 -8.717 5.149 342 HA MET 45 HA MET 45 1.780 -8.883 2.951 343 HB2 MET 45 HB2 MET 45 -0.954 -7.732 3.561 344 HB3 MET 45 HB3 MET 45 -0.309 -7.450 1.956 345 HG2 MET 45 HG2 MET 45 -1.550 -9.492 1.774 346 HG3 MET 45 HG3 MET 45 0.130 -9.988 1.814 347 HE1 MET 45 HE1 MET 45 0.755 -11.667 2.709 348 HE2 MET 45 HE2 MET 45 1.079 -11.537 4.455 349 HE3 MET 45 HE3 MET 45 -0.100 -12.728 3.855 350 H ALA 46 HN ALA 46 0.628 -5.863 4.587 351 HA ALA 46 HA ALA 46 1.762 -4.107 2.715 352 HB1 ALA 46 HB1 ALA 46 1.650 -2.956 5.351 353 HB2 ALA 46 HB2 ALA 46 0.558 -2.688 3.971 354 HB3 ALA 46 HB3 ALA 46 0.231 -4.006 5.122 355 H HIS 47 HN HIS 47 2.895 -5.147 6.014 356 HA HIS 47 HA HIS 47 5.339 -3.840 5.825 357 HB2 HIS 47 HB2 HIS 47 4.571 -6.288 7.440 358 HB3 HIS 47 HB3 HIS 47 6.007 -5.317 7.699 359 HD1 HIS 47 HD1 HIS 47 3.193 -5.795 9.487 360 HD2 HIS 47 HD2 HIS 47 4.658 -2.312 7.665 361 HE1 HIS 47 HE1 HIS 47 2.118 -3.837 10.720 362 H GLY 48 HN GLY 48 4.126 -6.546 4.102 363 HA2 GLY 48 HA1 GLY 48 6.870 -7.228 3.249 364 HA3 GLY 48 HA2 GLY 48 5.698 -8.474 3.627 365 H LYS 49 HN LYS 49 5.275 -9.394 1.631 366 HA LYS 49 HA LYS 49 5.187 -7.964 -0.759 367 HB2 LYS 49 HB2 LYS 49 5.482 -10.481 -0.343 368 HB3 LYS 49 HB3 LYS 49 3.736 -10.561 -0.229 369 HG2 LYS 49 HG2 LYS 49 3.453 -10.298 -2.483 370 HG3 LYS 49 HG3 LYS 49 4.637 -9.010 -2.577 371 HD2 LYS 49 HD2 LYS 49 5.724 -11.755 -2.056 372 HD3 LYS 49 HD3 LYS 49 5.032 -11.493 -3.644 373 HE2 LYS 49 HE2 LYS 49 7.112 -9.632 -2.405 374 HE3 LYS 49 HE3 LYS 49 7.531 -10.980 -3.444 375 HZ1 LYS 49 HZ1 LYS 49 6.314 -9.979 -5.240 376 HZ2 LYS 49 HZ2 LYS 49 5.670 -8.826 -4.288 377 H GLY 50 HN GLY 50 3.946 -6.037 -0.276 378 HA2 GLY 50 HA1 GLY 50 1.250 -6.229 -1.077 379 HA3 GLY 50 HA2 GLY 50 1.317 -6.048 0.665 380 H CYS 51 HN CYS 51 3.614 -4.413 0.992 381 HA CYS 51 HA CYS 51 3.105 -2.095 -0.682 382 HB2 CYS 51 HB2 CYS 51 3.117 -1.843 2.325 383 HB3 CYS 51 HB3 CYS 51 2.797 -0.592 1.141 384 H LYS 52 HN LYS 52 4.879 -3.322 2.257 385 HA LYS 52 HA LYS 52 7.181 -1.782 1.717 386 HB2 LYS 52 HB2 LYS 52 6.183 -3.248 3.850 387 HB3 LYS 52 HB3 LYS 52 7.578 -4.182 3.351 388 HG2 LYS 52 HG2 LYS 52 8.194 -1.318 3.312 389 HG3 LYS 52 HG3 LYS 52 7.578 -1.792 4.883 390 HD2 LYS 52 HD2 LYS 52 9.483 -3.775 3.845 391 HD3 LYS 52 HD3 LYS 52 10.204 -2.179 3.914 392 HE2 LYS 52 HE2 LYS 52 10.602 -2.717 6.109 393 HE3 LYS 52 HE3 LYS 52 8.940 -2.215 6.344 394 HZ1 LYS 52 HZ1 LYS 52 10.008 -4.788 6.689 395 HZ2 LYS 52 HZ2 LYS 52 8.473 -4.310 6.951 396 H GLY 53 HN GLY 53 5.987 -4.949 0.663 397 HA2 GLY 53 HA1 GLY 53 8.381 -6.128 -0.143 398 HA3 GLY 53 HA2 GLY 53 6.793 -6.435 -0.816 399 H CYS 54 HN CYS 54 6.048 -4.039 -1.996 400 HA CYS 54 HA CYS 54 7.685 -4.072 -4.305 401 HB2 CYS 54 HB2 CYS 54 5.215 -3.769 -4.362 402 HB3 CYS 54 HB3 CYS 54 5.399 -2.201 -3.601 403 H HIS 55 HN HIS 55 7.166 -1.925 -1.467 404 HA HIS 55 HA HIS 55 8.611 0.255 -2.424 405 HB2 HIS 55 HB2 HIS 55 8.035 -0.707 0.390 406 HB3 HIS 55 HB3 HIS 55 8.802 0.827 0.029 407 HD1 HIS 55 HD1 HIS 55 6.092 0.771 1.496 408 HD2 HIS 55 HD2 HIS 55 6.487 1.105 -2.666 409 HE1 HIS 55 HE1 HIS 55 3.939 1.854 0.659 410 H GLU 56 HN GLU 56 9.589 -2.646 -0.499 411 HA GLU 56 HA GLU 56 12.279 -1.755 -0.383 412 HB2 GLU 56 HB2 GLU 56 10.912 -4.380 0.327 413 HB3 GLU 56 HB3 GLU 56 12.638 -4.144 0.513 414 HG2 GLU 56 HG2 GLU 56 10.687 -2.154 1.718 415 HG3 GLU 56 HG3 GLU 56 11.048 -3.651 2.555 416 HE2 GLU 56 HE2 GLU 56 12.592 -2.959 4.139 417 H GLU 57 HN GLU 57 10.283 -3.552 -2.636 418 HA GLU 57 HA GLU 57 12.487 -4.887 -3.847 419 HB2 GLU 57 HB2 GLU 57 10.302 -5.954 -3.898 420 HB3 GLU 57 HB3 GLU 57 9.567 -4.549 -4.645 421 HG2 GLU 57 HG2 GLU 57 9.899 -5.946 -6.502 422 HG3 GLU 57 HG3 GLU 57 11.328 -4.933 -6.568 423 HE2 GLU 57 HE2 GLU 57 13.214 -7.080 -4.745 424 H MET 58 HN MET 58 10.437 -1.995 -4.495 425 HA MET 58 HA MET 58 11.947 -1.467 -6.888 426 HB2 MET 58 HB2 MET 58 9.599 -0.094 -5.479 427 HB3 MET 58 HB3 MET 58 10.334 0.575 -6.922 428 HG2 MET 58 HG2 MET 58 9.931 -1.920 -7.860 429 HG3 MET 58 HG3 MET 58 8.695 -1.941 -6.618 430 HE1 MET 58 HE1 MET 58 9.365 -1.415 -10.078 431 HE2 MET 58 HE2 MET 58 7.848 -2.245 -9.656 432 HE3 MET 58 HE3 MET 58 7.805 -0.744 -10.611 433 H LYS 59 HN LYS 59 11.401 -0.089 -3.598 434 HA LYS 59 HA LYS 59 12.760 1.146 -2.342 435 HB2 LYS 59 HB2 LYS 59 14.719 1.355 -4.639 436 HB3 LYS 59 HB3 LYS 59 15.030 1.615 -2.935 437 HG2 LYS 59 HG2 LYS 59 13.888 -1.057 -3.705 438 HG3 LYS 59 HG3 LYS 59 15.546 -0.743 -4.179 439 HD2 LYS 59 HD2 LYS 59 14.774 -0.054 -1.352 440 HD3 LYS 59 HD3 LYS 59 14.898 -1.755 -1.753 441 HE2 LYS 59 HE2 LYS 59 17.162 -1.648 -1.661 442 HE3 LYS 59 HE3 LYS 59 17.182 -0.411 -2.903 443 HZ1 LYS 59 HZ1 LYS 59 16.587 0.265 -0.082 444 HZ2 LYS 59 HZ2 LYS 59 18.115 0.234 -0.642 445 H LYS 60 HN LYS 60 10.524 2.172 -3.627 446 HA LYS 60 HA LYS 60 11.454 4.889 -4.240 447 HB2 LYS 60 HB2 LYS 60 10.224 3.171 -6.047 448 HB3 LYS 60 HB3 LYS 60 8.900 4.162 -5.470 449 HG2 LYS 60 HG2 LYS 60 9.669 5.583 -7.122 450 HG3 LYS 60 HG3 LYS 60 10.705 6.138 -5.822 451 HD2 LYS 60 HD2 LYS 60 12.373 5.725 -7.353 452 HD3 LYS 60 HD3 LYS 60 12.249 4.093 -6.727 453 HE2 LYS 60 HE2 LYS 60 10.230 4.182 -8.678 454 HE3 LYS 60 HE3 LYS 60 11.516 5.137 -9.391 455 HZ1 LYS 60 HZ1 LYS 60 11.703 2.707 -9.837 456 HZ2 LYS 60 HZ2 LYS 60 13.032 3.300 -9.105 457 H GLY 61 HN GLY 61 8.883 2.736 -2.924 458 HA2 GLY 61 HA1 GLY 61 7.445 4.932 -1.737 459 HA3 GLY 61 HA2 GLY 61 7.131 3.217 -1.556 460 HA PRO 62 HA PRO 62 9.038 4.884 2.370 461 HB2 PRO 62 HB2 PRO 62 6.959 4.324 4.036 462 HB3 PRO 62 HB3 PRO 62 6.963 5.783 2.992 463 HG2 PRO 62 HG2 PRO 62 5.199 3.150 2.159 464 HG3 PRO 62 HG3 PRO 62 5.239 4.904 2.535 465 HD2 PRO 62 HD2 PRO 62 5.918 3.579 0.042 466 HD3 PRO 62 HD3 PRO 62 6.110 5.315 0.433 467 H THR 63 HN THR 63 10.255 3.499 3.713 468 HA THR 63 HA THR 63 9.344 0.719 3.882 469 HB THR 63 HB THR 63 11.993 0.313 3.545 470 HG1 THR 63 HG1 THR 63 12.848 2.021 2.315 471 HG21 THR 63 HG21 THR 63 10.554 1.031 0.990 472 HG22 THR 63 HG22 THR 63 11.537 -0.406 1.362 473 HG23 THR 63 HG23 THR 63 9.872 -0.282 1.980 474 H LYS 64 HN LYS 64 9.290 3.106 5.699 475 HA LYS 64 HA LYS 64 10.756 1.803 7.866 476 HB2 LYS 64 HB2 LYS 64 11.560 4.233 6.678 477 HB3 LYS 64 HB3 LYS 64 10.792 4.679 8.188 478 HG2 LYS 64 HG2 LYS 64 12.943 2.524 7.936 479 HG3 LYS 64 HG3 LYS 64 13.266 4.182 8.402 480 HD2 LYS 64 HD2 LYS 64 11.276 3.610 10.181 481 HD3 LYS 64 HD3 LYS 64 11.923 1.997 9.958 482 HE2 LYS 64 HE2 LYS 64 14.275 3.191 10.310 483 HE3 LYS 64 HE3 LYS 64 13.315 4.458 11.048 484 HZ1 LYS 64 HZ1 LYS 64 12.615 3.025 12.734 485 HZ2 LYS 64 HZ2 LYS 64 12.892 1.663 11.886 486 H CYS 65 HN CYS 65 9.847 2.293 10.014 487 HA CYS 65 HA CYS 65 7.083 2.119 9.991 488 HB2 CYS 65 HB2 CYS 65 8.589 3.108 12.390 489 HB3 CYS 65 HB3 CYS 65 7.185 2.062 12.315 490 H GLY 66 HN GLY 66 9.370 4.869 10.445 491 HA2 GLY 66 HA1 GLY 66 7.199 6.749 10.898 492 HA3 GLY 66 HA2 GLY 66 8.921 7.076 10.898 493 H GLU 67 HN GLU 67 7.808 5.134 8.219 494 HA GLU 67 HA GLU 67 7.882 7.533 6.558 495 HB2 GLU 67 HB2 GLU 67 9.500 5.186 6.453 496 HB3 GLU 67 HB3 GLU 67 8.435 5.102 5.064 497 HG2 GLU 67 HG2 GLU 67 9.109 7.685 4.802 498 HG3 GLU 67 HG3 GLU 67 10.501 7.197 5.749 499 HE2 GLU 67 HE2 GLU 67 11.638 5.333 4.881 500 H CYS 68 HN CYS 68 5.850 5.261 7.891 501 HA CYS 68 HA CYS 68 4.032 5.489 5.611 502 HB2 CYS 68 HB2 CYS 68 5.058 3.041 6.813 503 HB3 CYS 68 HB3 CYS 68 3.311 3.117 6.925 504 H HIS 69 HN HIS 69 4.226 4.409 9.091 505 HA HIS 69 HA HIS 69 1.612 5.364 9.625 506 HB2 HIS 69 HB2 HIS 69 3.835 4.461 11.477 507 HB3 HIS 69 HB3 HIS 69 2.188 4.792 11.978 508 HD1 HIS 69 HD1 HIS 69 0.290 3.216 10.732 509 HD2 HIS 69 HD2 HIS 69 4.265 1.880 10.648 510 HE1 HIS 69 HE1 HIS 69 0.196 0.728 10.173 511 H LYS 70 HN LYS 70 1.164 7.516 9.559 512 HA LYS 70 HA LYS 70 2.711 9.232 11.292 513 HB2 LYS 70 HB2 LYS 70 4.022 9.497 9.319 514 HB3 LYS 70 HB3 LYS 70 2.606 9.627 8.296 515 HG2 LYS 70 HG2 LYS 70 2.044 11.687 9.940 516 HG3 LYS 70 HG3 LYS 70 3.780 11.664 10.184 517 HD2 LYS 70 HD2 LYS 70 2.709 11.553 7.357 518 HD3 LYS 70 HD3 LYS 70 2.694 13.088 8.201 519 HE2 LYS 70 HE2 LYS 70 5.242 12.320 8.778 520 HE3 LYS 70 HE3 LYS 70 5.036 11.456 7.268 521 HZ1 LYS 70 HZ1 LYS 70 5.667 13.484 6.453 522 HZ2 LYS 70 HZ2 LYS 70 4.078 13.824 6.556 523 H LYS 71 HN LYS 71 1.149 10.062 12.566 524 HA LYS 71 HA LYS 71 -1.547 10.078 11.839 525 HB2 LYS 71 HB2 LYS 71 -1.158 10.005 14.121 526 HB3 LYS 71 HB3 LYS 71 0.085 11.238 14.071 527 HG2 LYS 71 HG2 LYS 71 -1.424 12.947 14.278 528 HG3 LYS 71 HG3 LYS 71 -2.535 12.233 13.126 529 HD2 LYS 71 HD2 LYS 71 -3.840 11.907 14.989 530 HD3 LYS 71 HD3 LYS 71 -2.859 10.467 15.175 531 HE2 LYS 71 HE2 LYS 71 -1.227 11.937 16.558 532 HE3 LYS 71 HE3 LYS 71 -2.489 13.153 16.568 533 HZ1 LYS 71 HZ1 LYS 71 -2.399 10.633 17.991 534 HZ2 LYS 71 HZ2 LYS 71 -3.177 12.007 18.386 Start of MODEL 18 1 H1 ALA 1 HN ALA 1 -12.758 11.301 -5.293 2 HA ALA 1 HA ALA 1 -10.602 11.792 -4.665 3 HB1 ALA 1 HB1 ALA 1 -11.497 12.599 -2.411 4 HB2 ALA 1 HB2 ALA 1 -11.286 10.929 -1.834 5 HB3 ALA 1 HB3 ALA 1 -9.876 11.863 -2.388 6 H ASP 2 HN ASP 2 -8.722 10.312 -4.272 7 HA ASP 2 HA ASP 2 -9.614 7.597 -4.764 8 HB2 ASP 2 HB2 ASP 2 -7.731 9.209 -6.040 9 HB3 ASP 2 HB3 ASP 2 -6.720 8.223 -5.003 10 HD2 ASP 2 HD2 ASP 2 -8.895 5.913 -7.404 11 H ASP 3 HN ASP 3 -7.666 9.723 -2.648 12 HA ASP 3 HA ASP 3 -6.021 8.159 -1.341 13 HB2 ASP 3 HB2 ASP 3 -6.626 10.554 -0.786 14 HB3 ASP 3 HB3 ASP 3 -8.049 9.970 0.052 15 HD2 ASP 3 HD2 ASP 3 -6.722 10.565 2.597 16 H ILE 4 HN ILE 4 -6.185 6.156 -0.319 17 HA ILE 4 HA ILE 4 -8.827 5.433 0.746 18 HB ILE 4 HB ILE 4 -6.860 3.960 -0.914 19 HG12 ILE 4 HG12 ILE 4 -9.881 3.953 -0.657 20 HG13 ILE 4 HG13 ILE 4 -8.935 4.761 -1.891 21 HG21 ILE 4 HG21 ILE 4 -8.155 1.831 0.040 22 HG22 ILE 4 HG22 ILE 4 -6.612 2.401 0.719 23 HG23 ILE 4 HG23 ILE 4 -8.146 2.822 1.518 24 HD11 ILE 4 HD11 ILE 4 -7.944 2.246 -2.189 25 HD12 ILE 4 HD12 ILE 4 -9.571 1.854 -1.582 26 HD13 ILE 4 HD13 ILE 4 -9.383 2.826 -3.061 27 H VAL 5 HN VAL 5 -8.329 6.410 2.797 28 HA VAL 5 HA VAL 5 -5.980 5.801 4.206 29 HB VAL 5 HB VAL 5 -8.704 6.637 5.223 30 HG11 VAL 5 HG11 VAL 5 -7.817 6.908 7.270 31 HG12 VAL 5 HG12 VAL 5 -6.522 5.828 6.700 32 HG13 VAL 5 HG13 VAL 5 -6.305 7.593 6.628 33 HG21 VAL 5 HG21 VAL 5 -6.530 8.632 4.873 34 HG22 VAL 5 HG22 VAL 5 -7.279 8.011 3.382 35 HG23 VAL 5 HG23 VAL 5 -8.286 8.788 4.628 36 H LEU 6 HN LEU 6 -5.345 3.968 5.217 37 HA LEU 6 HA LEU 6 -7.267 1.807 5.376 38 HB2 LEU 6 HB2 LEU 6 -4.283 1.980 5.772 39 HB3 LEU 6 HB3 LEU 6 -5.206 0.523 6.081 40 HG LEU 6 HG LEU 6 -5.352 1.881 3.396 41 HD11 LEU 6 HD11 LEU 6 -3.019 1.661 3.617 42 HD12 LEU 6 HD12 LEU 6 -3.157 0.075 4.414 43 HD13 LEU 6 HD13 LEU 6 -3.543 0.238 2.684 44 HD21 LEU 6 HD21 LEU 6 -6.633 0.155 2.852 45 HD22 LEU 6 HD22 LEU 6 -5.376 -0.994 3.366 46 HD23 LEU 6 HD23 LEU 6 -6.566 -0.392 4.545 47 H LYS 7 HN LYS 7 -6.515 0.357 7.567 48 HA LYS 7 HA LYS 7 -7.215 2.199 9.739 49 HB2 LYS 7 HB2 LYS 7 -8.192 0.227 10.843 50 HB3 LYS 7 HB3 LYS 7 -8.943 0.567 9.297 51 HG2 LYS 7 HG2 LYS 7 -8.216 -1.397 8.367 52 HG3 LYS 7 HG3 LYS 7 -6.617 -1.252 9.069 53 HD2 LYS 7 HD2 LYS 7 -7.581 -3.173 10.118 54 HD3 LYS 7 HD3 LYS 7 -7.671 -1.906 11.325 55 HE2 LYS 7 HE2 LYS 7 -10.034 -1.490 10.808 56 HE3 LYS 7 HE3 LYS 7 -9.975 -2.580 9.437 57 HZ1 LYS 7 HZ1 LYS 7 -9.156 -4.213 11.380 58 HZ2 LYS 7 HZ2 LYS 7 -10.106 -3.234 12.269 59 H ALA 8 HN ALA 8 -5.911 2.372 11.530 60 HA ALA 8 HA ALA 8 -4.141 0.464 12.428 61 HB1 ALA 8 HB1 ALA 8 -2.713 0.527 10.604 62 HB2 ALA 8 HB2 ALA 8 -3.068 2.235 10.248 63 HB3 ALA 8 HB3 ALA 8 -2.002 1.813 11.609 64 H LYS 9 HN LYS 9 -4.461 1.094 14.514 65 HA LYS 9 HA LYS 9 -4.869 3.791 15.223 66 HB2 LYS 9 HB2 LYS 9 -4.713 1.166 16.582 67 HB3 LYS 9 HB3 LYS 9 -4.268 2.542 17.572 68 HG2 LYS 9 HG2 LYS 9 -6.715 2.916 15.893 69 HG3 LYS 9 HG3 LYS 9 -6.856 1.720 17.167 70 HD2 LYS 9 HD2 LYS 9 -5.821 4.554 17.636 71 HD3 LYS 9 HD3 LYS 9 -7.501 4.098 17.838 72 HE2 LYS 9 HE2 LYS 9 -6.824 2.379 19.537 73 HE3 LYS 9 HE3 LYS 9 -5.148 2.852 19.341 74 HZ1 LYS 9 HZ1 LYS 9 -6.712 3.955 21.167 75 HZ2 LYS 9 HZ2 LYS 9 -5.499 4.795 20.479 76 H ASN 10 HN ASN 10 -2.069 2.086 14.303 77 HA ASN 10 HA ASN 10 -0.319 3.458 16.089 78 HB2 ASN 10 HB2 ASN 10 0.247 1.805 13.570 79 HB3 ASN 10 HB3 ASN 10 1.479 2.371 14.681 80 HD21 ASN 10 HD21 ASN 10 1.995 1.187 16.378 81 HD22 ASN 10 HD22 ASN 10 1.142 -0.200 16.968 82 H GLY 11 HN GLY 11 -2.163 4.393 13.468 83 HA2 GLY 11 HA1 GLY 11 -1.755 6.755 12.843 84 HA3 GLY 11 HA2 GLY 11 -0.114 6.275 12.456 85 H ASP 12 HN ASP 12 -3.251 6.735 11.213 86 HA ASP 12 HA ASP 12 -3.769 4.836 9.460 87 HB2 ASP 12 HB2 ASP 12 -4.052 7.785 9.490 88 HB3 ASP 12 HB3 ASP 12 -4.058 7.121 7.868 89 HD2 ASP 12 HD2 ASP 12 -6.936 5.071 9.121 90 H VAL 13 HN VAL 13 -3.271 4.628 7.040 91 HA VAL 13 HA VAL 13 -0.569 5.598 6.419 92 HB VAL 13 HB VAL 13 -1.713 2.878 5.760 93 HG11 VAL 13 HG11 VAL 13 -0.037 3.864 4.155 94 HG12 VAL 13 HG12 VAL 13 1.142 3.865 5.489 95 HG13 VAL 13 HG13 VAL 13 0.456 2.329 4.908 96 HG21 VAL 13 HG21 VAL 13 -1.029 3.549 8.249 97 HG22 VAL 13 HG22 VAL 13 -0.651 1.950 7.563 98 HG23 VAL 13 HG23 VAL 13 0.602 3.213 7.621 99 H LYS 14 HN LYS 14 -1.495 7.377 5.257 100 HA LYS 14 HA LYS 14 -3.528 7.117 3.389 101 HB2 LYS 14 HB2 LYS 14 -3.004 9.279 4.150 102 HB3 LYS 14 HB3 LYS 14 -1.297 9.103 3.796 103 HG2 LYS 14 HG2 LYS 14 -2.540 8.658 1.308 104 HG3 LYS 14 HG3 LYS 14 -3.493 9.944 2.022 105 HD2 LYS 14 HD2 LYS 14 -1.353 11.211 2.496 106 HD3 LYS 14 HD3 LYS 14 -0.458 9.951 1.671 107 HE2 LYS 14 HE2 LYS 14 -0.762 11.339 -0.147 108 HE3 LYS 14 HE3 LYS 14 -2.279 10.470 -0.271 109 HZ1 LYS 14 HZ1 LYS 14 -2.452 12.685 1.546 110 HZ2 LYS 14 HZ2 LYS 14 -2.039 13.169 0.047 111 H LEU 15 HN LEU 15 -3.614 5.869 1.607 112 HA LEU 15 HA LEU 15 -1.068 5.341 0.246 113 HB2 LEU 15 HB2 LEU 15 -1.837 3.291 0.949 114 HB3 LEU 15 HB3 LEU 15 -3.524 3.714 0.730 115 HG LEU 15 HG LEU 15 -2.809 3.788 -1.837 116 HD11 LEU 15 HD11 LEU 15 -1.101 2.303 -2.465 117 HD12 LEU 15 HD12 LEU 15 -0.401 3.284 -1.154 118 HD13 LEU 15 HD13 LEU 15 -0.962 1.627 -0.824 119 HD21 LEU 15 HD21 LEU 15 -3.490 1.370 -1.981 120 HD22 LEU 15 HD22 LEU 15 -3.481 1.333 -0.202 121 HD23 LEU 15 HD23 LEU 15 -4.596 2.421 -1.063 122 HA PRO 16 HA PRO 16 -2.804 8.312 -2.626 123 HB2 PRO 16 HB2 PRO 16 -0.176 7.692 -3.949 124 HB3 PRO 16 HB3 PRO 16 -0.889 9.258 -3.440 125 HG2 PRO 16 HG2 PRO 16 1.188 8.149 -1.985 126 HG3 PRO 16 HG3 PRO 16 -0.230 9.111 -1.455 127 HD2 PRO 16 HD2 PRO 16 0.205 6.075 -1.430 128 HD3 PRO 16 HD3 PRO 16 -0.390 7.128 -0.111 129 H HIS 17 HN HIS 17 -4.245 6.147 -2.964 130 HA HIS 17 HA HIS 17 -3.621 4.193 -4.686 131 HB2 HIS 17 HB2 HIS 17 -5.789 4.619 -3.438 132 HB3 HIS 17 HB3 HIS 17 -6.262 5.670 -4.758 133 HD1 HIS 17 HD1 HIS 17 -7.519 4.565 -6.616 134 HD2 HIS 17 HD2 HIS 17 -5.183 1.838 -4.446 135 HE1 HIS 17 HE1 HIS 17 -8.046 2.256 -7.567 136 H LYS 18 HN LYS 18 -4.874 7.472 -5.620 137 HA LYS 18 HA LYS 18 -4.820 7.069 -8.350 138 HB2 LYS 18 HB2 LYS 18 -5.907 8.959 -7.171 139 HB3 LYS 18 HB3 LYS 18 -4.333 9.641 -6.818 140 HG2 LYS 18 HG2 LYS 18 -5.222 10.733 -8.814 141 HG3 LYS 18 HG3 LYS 18 -3.845 9.755 -9.281 142 HD2 LYS 18 HD2 LYS 18 -6.381 8.240 -9.367 143 HD3 LYS 18 HD3 LYS 18 -6.407 9.643 -10.417 144 HE2 LYS 18 HE2 LYS 18 -4.186 8.884 -11.393 145 HE3 LYS 18 HE3 LYS 18 -4.301 7.428 -10.424 146 HZ1 LYS 18 HZ1 LYS 18 -5.541 6.589 -12.083 147 HZ2 LYS 18 HZ2 LYS 18 -6.732 7.642 -11.729 148 H ALA 19 HN ALA 19 -2.250 8.481 -6.207 149 HA ALA 19 HA ALA 19 -0.366 8.862 -8.191 150 HB1 ALA 19 HB1 ALA 19 0.800 8.018 -5.655 151 HB2 ALA 19 HB2 ALA 19 0.798 9.624 -6.422 152 HB3 ALA 19 HB3 ALA 19 -0.570 9.125 -5.399 153 H HIS 20 HN HIS 20 -0.967 5.983 -6.070 154 HA HIS 20 HA HIS 20 1.114 4.474 -7.181 155 HB2 HIS 20 HB2 HIS 20 -1.314 3.876 -5.517 156 HB3 HIS 20 HB3 HIS 20 -0.393 2.552 -6.201 157 HD1 HIS 20 HD1 HIS 20 -0.047 5.448 -3.770 158 HD2 HIS 20 HD2 HIS 20 2.034 1.999 -4.939 159 HE1 HIS 20 HE1 HIS 20 1.838 5.142 -2.078 160 H GLN 21 HN GLN 21 -2.106 5.316 -8.285 161 HA GLN 21 HA GLN 21 -2.386 3.082 -9.991 162 HB2 GLN 21 HB2 GLN 21 -3.838 5.677 -9.542 163 HB3 GLN 21 HB3 GLN 21 -4.129 4.839 -11.053 164 HG2 GLN 21 HG2 GLN 21 -4.745 2.772 -9.813 165 HG3 GLN 21 HG3 GLN 21 -4.395 3.563 -8.289 166 HE21 GLN 21 HE21 GLN 21 -6.869 2.397 -9.373 167 HE22 GLN 21 HE22 GLN 21 -8.084 3.628 -9.298 168 H LYS 22 HN LYS 22 -0.543 6.012 -10.081 169 HA LYS 22 HA LYS 22 -0.369 5.912 -12.998 170 HB2 LYS 22 HB2 LYS 22 -0.802 8.058 -11.507 171 HB3 LYS 22 HB3 LYS 22 0.941 8.032 -11.333 172 HG2 LYS 22 HG2 LYS 22 0.438 9.402 -13.266 173 HG3 LYS 22 HG3 LYS 22 1.141 7.910 -13.860 174 HD2 LYS 22 HD2 LYS 22 -0.971 7.056 -14.584 175 HD3 LYS 22 HD3 LYS 22 -1.872 8.184 -13.591 176 HE2 LYS 22 HE2 LYS 22 -0.938 10.079 -15.021 177 HE3 LYS 22 HE3 LYS 22 -0.224 8.871 -16.070 178 HZ1 LYS 22 HZ1 LYS 22 -2.976 8.295 -15.615 179 HZ2 LYS 22 HZ2 LYS 22 -2.816 9.807 -16.200 180 H ALA 23 HN ALA 23 1.531 5.638 -9.959 181 HA ALA 23 HA ALA 23 4.010 5.302 -11.284 182 HB1 ALA 23 HB1 ALA 23 4.199 4.092 -8.776 183 HB2 ALA 23 HB2 ALA 23 4.533 5.800 -9.148 184 HB3 ALA 23 HB3 ALA 23 2.924 5.316 -8.561 185 H VAL 24 HN VAL 24 1.296 3.185 -10.404 186 HA VAL 24 HA VAL 24 2.787 0.969 -11.625 187 HB VAL 24 HB VAL 24 1.013 0.946 -9.179 188 HG11 VAL 24 HG11 VAL 24 2.303 -1.517 -10.341 189 HG12 VAL 24 HG12 VAL 24 0.951 -1.384 -9.192 190 HG13 VAL 24 HG13 VAL 24 0.705 -0.975 -10.907 191 HG21 VAL 24 HG21 VAL 24 3.470 -0.437 -8.803 192 HG22 VAL 24 HG22 VAL 24 3.851 1.127 -9.562 193 HG23 VAL 24 HG23 VAL 24 2.925 1.077 -8.042 194 HA PRO 25 HA PRO 25 -0.946 2.042 -14.098 195 HB2 PRO 25 HB2 PRO 25 0.868 0.881 -16.192 196 HB3 PRO 25 HB3 PRO 25 -0.045 2.425 -16.163 197 HG2 PRO 25 HG2 PRO 25 2.694 2.433 -15.822 198 HG3 PRO 25 HG3 PRO 25 1.463 3.507 -15.080 199 HD2 PRO 25 HD2 PRO 25 2.844 1.020 -13.942 200 HD3 PRO 25 HD3 PRO 25 2.597 2.614 -13.168 201 H ASP 26 HN ASP 26 0.876 -0.816 -13.228 202 HA ASP 26 HA ASP 26 -0.939 -2.510 -14.691 203 HB2 ASP 26 HB2 ASP 26 0.822 -3.887 -12.804 204 HB3 ASP 26 HB3 ASP 26 0.723 -4.058 -14.545 205 HD2 ASP 26 HD2 ASP 26 1.885 -1.444 -15.308 206 H CYS 27 HN CYS 27 -2.952 -2.215 -13.541 207 HA CYS 27 HA CYS 27 -3.005 -2.310 -10.700 208 HB2 CYS 27 HB2 CYS 27 -5.471 -2.735 -12.318 209 HB3 CYS 27 HB3 CYS 27 -5.234 -1.807 -10.851 210 H LYS 28 HN LYS 28 -1.609 -4.496 -11.087 211 HA LYS 28 HA LYS 28 -3.543 -6.656 -10.742 212 HB2 LYS 28 HB2 LYS 28 -1.704 -8.040 -12.079 213 HB3 LYS 28 HB3 LYS 28 -3.061 -7.268 -12.875 214 HG2 LYS 28 HG2 LYS 28 -1.665 -5.283 -13.398 215 HG3 LYS 28 HG3 LYS 28 -0.312 -5.980 -12.530 216 HD2 LYS 28 HD2 LYS 28 0.313 -6.839 -14.549 217 HD3 LYS 28 HD3 LYS 28 -0.937 -8.036 -14.272 218 HE2 LYS 28 HE2 LYS 28 -2.564 -6.767 -15.560 219 HE3 LYS 28 HE3 LYS 28 -1.515 -5.364 -15.625 220 HZ1 LYS 28 HZ1 LYS 28 -0.218 -7.686 -16.678 221 HZ2 LYS 28 HZ2 LYS 28 -1.600 -7.378 -17.483 222 H LYS 29 HN LYS 29 -0.055 -5.662 -10.624 223 HA LYS 29 HA LYS 29 0.751 -7.587 -8.812 224 HB2 LYS 29 HB2 LYS 29 1.821 -4.765 -9.112 225 HB3 LYS 29 HB3 LYS 29 2.666 -6.132 -8.414 226 HG2 LYS 29 HG2 LYS 29 1.556 -6.506 -11.182 227 HG3 LYS 29 HG3 LYS 29 2.922 -5.421 -11.024 228 HD2 LYS 29 HD2 LYS 29 3.663 -7.616 -9.437 229 HD3 LYS 29 HD3 LYS 29 2.830 -8.362 -10.786 230 HE2 LYS 29 HE2 LYS 29 4.534 -6.273 -11.835 231 HE3 LYS 29 HE3 LYS 29 5.487 -7.246 -10.733 232 HZ1 LYS 29 HZ1 LYS 29 5.538 -8.240 -12.918 233 HZ2 LYS 29 HZ2 LYS 29 4.679 -9.238 -11.960 234 H CYS 30 HN CYS 30 -1.372 -4.864 -8.406 235 HA CYS 30 HA CYS 30 -1.012 -5.016 -5.509 236 HB2 CYS 30 HB2 CYS 30 -1.643 -2.823 -7.357 237 HB3 CYS 30 HB3 CYS 30 -2.741 -2.901 -5.993 238 H HIS 31 HN HIS 31 -3.190 -5.502 -8.283 239 HA HIS 31 HA HIS 31 -5.242 -6.423 -6.404 240 HB2 HIS 31 HB2 HIS 31 -5.479 -5.132 -9.125 241 HB3 HIS 31 HB3 HIS 31 -6.797 -6.038 -8.409 242 HD1 HIS 31 HD1 HIS 31 -7.484 -5.116 -5.851 243 HD2 HIS 31 HD2 HIS 31 -5.478 -2.489 -8.434 244 HE1 HIS 31 HE1 HIS 31 -7.903 -2.767 -4.947 245 H GLU 32 HN GLU 32 -5.153 -8.606 -6.229 246 HA GLU 32 HA GLU 32 -3.973 -10.145 -8.283 247 HB2 GLU 32 HB2 GLU 32 -5.286 -10.729 -5.626 248 HB3 GLU 32 HB3 GLU 32 -4.987 -12.055 -6.731 249 HG2 GLU 32 HG2 GLU 32 -2.805 -12.098 -6.126 250 HG3 GLU 32 HG3 GLU 32 -2.603 -10.445 -6.673 251 HE2 GLU 32 HE2 GLU 32 -2.680 -8.850 -5.085 252 H LYS 33 HN LYS 33 -6.909 -11.463 -6.831 253 HA LYS 33 HA LYS 33 -7.994 -12.494 -9.042 254 HB2 LYS 33 HB2 LYS 33 -9.213 -11.409 -6.521 255 HB3 LYS 33 HB3 LYS 33 -10.261 -11.997 -7.796 256 HG2 LYS 33 HG2 LYS 33 -8.173 -13.934 -7.529 257 HG3 LYS 33 HG3 LYS 33 -8.666 -13.523 -5.899 258 HD2 LYS 33 HD2 LYS 33 -11.050 -13.777 -7.514 259 HD3 LYS 33 HD3 LYS 33 -10.043 -15.179 -7.813 260 HE2 LYS 33 HE2 LYS 33 -11.058 -15.981 -5.911 261 HE3 LYS 33 HE3 LYS 33 -9.808 -15.060 -5.099 262 HZ1 LYS 33 HZ1 LYS 33 -11.584 -13.146 -5.349 263 HZ2 LYS 33 HZ2 LYS 33 -12.641 -14.383 -5.424 264 H GLY 34 HN GLY 34 -7.923 -9.068 -8.132 265 HA2 GLY 34 HA1 GLY 34 -8.147 -7.943 -10.537 266 HA3 GLY 34 HA2 GLY 34 -9.824 -8.331 -10.207 267 HA PRO 35 HA PRO 35 -8.592 -4.154 -8.377 268 HB2 PRO 35 HB2 PRO 35 -10.988 -3.395 -10.048 269 HB3 PRO 35 HB3 PRO 35 -9.405 -2.578 -9.832 270 HG2 PRO 35 HG2 PRO 35 -9.539 -4.109 -12.349 271 HG3 PRO 35 HG3 PRO 35 -8.410 -3.882 -10.974 272 HD2 PRO 35 HD2 PRO 35 -10.656 -5.993 -11.124 273 HD3 PRO 35 HD3 PRO 35 -8.928 -6.331 -11.442 274 H GLY 36 HN GLY 36 -9.372 -4.001 -6.276 275 HA2 GLY 36 HA1 GLY 36 -11.734 -3.356 -5.361 276 HA3 GLY 36 HA2 GLY 36 -12.065 -5.031 -5.754 277 H LYS 37 HN LYS 37 -12.411 -5.522 -3.486 278 HA LYS 37 HA LYS 37 -10.511 -4.975 -1.514 279 HB2 LYS 37 HB2 LYS 37 -11.852 -6.253 -0.106 280 HB3 LYS 37 HB3 LYS 37 -12.983 -5.649 -1.300 281 HG2 LYS 37 HG2 LYS 37 -12.913 -7.776 -2.531 282 HG3 LYS 37 HG3 LYS 37 -11.633 -8.381 -1.498 283 HD2 LYS 37 HD2 LYS 37 -13.071 -8.885 0.230 284 HD3 LYS 37 HD3 LYS 37 -14.055 -7.458 -0.029 285 HE2 LYS 37 HE2 LYS 37 -15.371 -8.494 -1.697 286 HE3 LYS 37 HE3 LYS 37 -14.135 -9.671 -2.092 287 HZ1 LYS 37 HZ1 LYS 37 -16.162 -9.819 -0.060 288 HZ2 LYS 37 HZ2 LYS 37 -15.310 -11.028 -0.743 289 H ILE 38 HN ILE 38 -8.933 -6.344 -0.493 290 HA ILE 38 HA ILE 38 -7.978 -8.457 -2.300 291 HB ILE 38 HB ILE 38 -6.334 -6.687 -0.489 292 HG12 ILE 38 HG12 ILE 38 -6.512 -6.534 -3.506 293 HG13 ILE 38 HG13 ILE 38 -7.471 -5.521 -2.445 294 HG21 ILE 38 HG21 ILE 38 -4.869 -7.939 -2.610 295 HG22 ILE 38 HG22 ILE 38 -4.656 -8.089 -0.849 296 HG23 ILE 38 HG23 ILE 38 -5.769 -9.180 -1.707 297 HD11 ILE 38 HD11 ILE 38 -5.126 -5.008 -1.293 298 HD12 ILE 38 HD12 ILE 38 -4.483 -5.539 -2.865 299 HD13 ILE 38 HD13 ILE 38 -5.603 -4.158 -2.782 300 H GLU 39 HN GLU 39 -7.517 -10.467 -1.430 301 HA GLU 39 HA GLU 39 -8.322 -10.733 1.351 302 HB2 GLU 39 HB2 GLU 39 -9.119 -12.127 -0.929 303 HB3 GLU 39 HB3 GLU 39 -7.954 -13.219 -0.207 304 HG2 GLU 39 HG2 GLU 39 -10.373 -11.997 1.205 305 HG3 GLU 39 HG3 GLU 39 -10.231 -13.659 0.668 306 HE2 GLU 39 HE2 GLU 39 -8.260 -14.907 2.225 307 H GLY 40 HN GLY 40 -6.760 -11.069 2.870 308 HA2 GLY 40 HA1 GLY 40 -4.935 -12.590 3.490 309 HA3 GLY 40 HA2 GLY 40 -4.197 -12.225 1.943 310 H PHE 41 HN PHE 41 -4.807 -9.376 1.847 311 HA PHE 41 HA PHE 41 -2.611 -8.427 3.316 312 HB2 PHE 41 HB2 PHE 41 -3.661 -7.561 1.122 313 HB3 PHE 41 HB3 PHE 41 -5.009 -6.957 2.065 314 HD1 PHE 41 HD2 PHE 41 -4.551 -5.175 3.816 315 HD2 PHE 41 HD1 PHE 41 -1.693 -6.292 0.885 316 HE1 PHE 41 HE2 PHE 41 -3.320 -3.021 4.195 317 HE2 PHE 41 HE1 PHE 41 -0.462 -4.138 1.265 318 HZ PHE 41 HZ PHE 41 -1.290 -2.528 2.915 319 H GLY 42 HN GLY 42 -2.660 -8.441 5.539 320 HA2 GLY 42 HA1 GLY 42 -4.920 -7.011 6.795 321 HA3 GLY 42 HA2 GLY 42 -4.323 -8.529 7.436 322 H LYS 43 HN LYS 43 -1.475 -8.054 6.825 323 HA LYS 43 HA LYS 43 -0.690 -5.601 7.999 324 HB2 LYS 43 HB2 LYS 43 -1.572 -6.692 10.026 325 HB3 LYS 43 HB3 LYS 43 -0.508 -8.059 9.767 326 HG2 LYS 43 HG2 LYS 43 0.966 -5.512 9.675 327 HG3 LYS 43 HG3 LYS 43 0.105 -5.702 11.189 328 HD2 LYS 43 HD2 LYS 43 1.112 -8.134 11.203 329 HD3 LYS 43 HD3 LYS 43 2.220 -7.524 9.990 330 HE2 LYS 43 HE2 LYS 43 3.041 -5.787 11.510 331 HE3 LYS 43 HE3 LYS 43 1.804 -6.165 12.692 332 HZ1 LYS 43 HZ1 LYS 43 2.814 -8.387 12.931 333 HZ2 LYS 43 HZ2 LYS 43 3.976 -8.012 11.854 334 H GLU 44 HN GLU 44 0.697 -8.915 8.408 335 HA GLU 44 HA GLU 44 3.189 -8.418 7.760 336 HB2 GLU 44 HB2 GLU 44 2.839 -10.647 8.278 337 HB3 GLU 44 HB3 GLU 44 1.407 -10.775 7.277 338 HG2 GLU 44 HG2 GLU 44 3.216 -12.085 6.264 339 HG3 GLU 44 HG3 GLU 44 2.838 -10.726 5.223 340 HE2 GLU 44 HE2 GLU 44 5.441 -11.519 4.843 341 H MET 45 HN MET 45 0.549 -8.956 5.342 342 HA MET 45 HA MET 45 2.023 -8.949 3.078 343 HB2 MET 45 HB2 MET 45 -0.722 -7.785 3.753 344 HB3 MET 45 HB3 MET 45 -0.126 -7.770 2.105 345 HG2 MET 45 HG2 MET 45 0.296 -10.422 3.190 346 HG3 MET 45 HG3 MET 45 -1.358 -9.952 3.526 347 HE1 MET 45 HE1 MET 45 -2.314 -11.985 1.342 348 HE2 MET 45 HE2 MET 45 -0.879 -12.275 0.329 349 HE3 MET 45 HE3 MET 45 -0.724 -12.234 2.102 350 H ALA 46 HN ALA 46 0.575 -6.032 4.703 351 HA ALA 46 HA ALA 46 1.648 -4.174 2.930 352 HB1 ALA 46 HB1 ALA 46 -0.165 -3.591 4.401 353 HB2 ALA 46 HB2 ALA 46 0.792 -4.009 5.843 354 HB3 ALA 46 HB3 ALA 46 1.230 -2.587 4.865 355 H HIS 47 HN HIS 47 2.899 -5.535 6.040 356 HA HIS 47 HA HIS 47 5.262 -3.958 5.897 357 HB2 HIS 47 HB2 HIS 47 4.578 -6.362 7.612 358 HB3 HIS 47 HB3 HIS 47 5.971 -5.322 7.833 359 HD1 HIS 47 HD1 HIS 47 3.094 -5.847 9.565 360 HD2 HIS 47 HD2 HIS 47 4.577 -2.374 7.740 361 HE1 HIS 47 HE1 HIS 47 1.955 -3.885 10.732 362 H GLY 48 HN GLY 48 4.208 -6.334 3.901 363 HA2 GLY 48 HA1 GLY 48 6.940 -7.101 3.203 364 HA3 GLY 48 HA2 GLY 48 5.830 -8.392 3.616 365 H LYS 49 HN LYS 49 5.225 -9.377 1.728 366 HA LYS 49 HA LYS 49 5.151 -8.053 -0.735 367 HB2 LYS 49 HB2 LYS 49 5.374 -10.574 -0.149 368 HB3 LYS 49 HB3 LYS 49 3.622 -10.578 -0.124 369 HG2 LYS 49 HG2 LYS 49 3.522 -9.761 -2.436 370 HG3 LYS 49 HG3 LYS 49 5.257 -9.517 -2.474 371 HD2 LYS 49 HD2 LYS 49 4.619 -12.265 -1.678 372 HD3 LYS 49 HD3 LYS 49 3.848 -11.870 -3.201 373 HE2 LYS 49 HE2 LYS 49 5.975 -12.647 -3.881 374 HE3 LYS 49 HE3 LYS 49 6.174 -10.907 -3.914 375 HZ1 LYS 49 HZ1 LYS 49 8.010 -11.682 -2.700 376 HZ2 LYS 49 HZ2 LYS 49 7.004 -11.205 -1.511 377 H GLY 50 HN GLY 50 3.956 -6.072 -0.128 378 HA2 GLY 50 HA1 GLY 50 1.246 -6.233 -0.951 379 HA3 GLY 50 HA2 GLY 50 1.339 -6.022 0.786 380 H CYS 51 HN CYS 51 3.571 -4.392 1.154 381 HA CYS 51 HA CYS 51 3.151 -2.113 -0.603 382 HB2 CYS 51 HB2 CYS 51 3.094 -1.784 2.395 383 HB3 CYS 51 HB3 CYS 51 2.802 -0.566 1.170 384 H LYS 52 HN LYS 52 4.834 -3.305 2.403 385 HA LYS 52 HA LYS 52 7.161 -1.792 1.917 386 HB2 LYS 52 HB2 LYS 52 6.105 -3.201 4.035 387 HB3 LYS 52 HB3 LYS 52 7.450 -4.219 3.559 388 HG2 LYS 52 HG2 LYS 52 8.160 -1.352 3.549 389 HG3 LYS 52 HG3 LYS 52 7.610 -1.893 5.122 390 HD2 LYS 52 HD2 LYS 52 9.419 -3.861 3.909 391 HD3 LYS 52 HD3 LYS 52 10.177 -2.284 3.995 392 HE2 LYS 52 HE2 LYS 52 10.264 -2.296 6.297 393 HE3 LYS 52 HE3 LYS 52 8.690 -3.049 6.458 394 HZ1 LYS 52 HZ1 LYS 52 9.658 -5.063 6.615 395 HZ2 LYS 52 HZ2 LYS 52 10.596 -4.844 5.301 396 H GLY 53 HN GLY 53 5.956 -4.918 0.786 397 HA2 GLY 53 HA1 GLY 53 8.366 -6.128 0.053 398 HA3 GLY 53 HA2 GLY 53 6.794 -6.412 -0.667 399 H CYS 54 HN CYS 54 6.079 -4.085 -1.912 400 HA CYS 54 HA CYS 54 7.808 -4.089 -4.142 401 HB2 CYS 54 HB2 CYS 54 5.357 -3.803 -4.324 402 HB3 CYS 54 HB3 CYS 54 5.472 -2.257 -3.508 403 H HIS 55 HN HIS 55 7.161 -1.926 -1.340 404 HA HIS 55 HA HIS 55 8.612 0.264 -2.228 405 HB2 HIS 55 HB2 HIS 55 7.976 -0.753 0.550 406 HB3 HIS 55 HB3 HIS 55 8.778 0.777 0.255 407 HD1 HIS 55 HD1 HIS 55 6.039 0.751 1.648 408 HD2 HIS 55 HD2 HIS 55 6.534 1.148 -2.498 409 HE1 HIS 55 HE1 HIS 55 3.926 1.889 0.781 410 H GLU 56 HN GLU 56 9.602 -2.692 -0.412 411 HA GLU 56 HA GLU 56 12.286 -1.748 -0.240 412 HB2 GLU 56 HB2 GLU 56 11.018 -4.441 0.421 413 HB3 GLU 56 HB3 GLU 56 12.698 -4.053 0.732 414 HG2 GLU 56 HG2 GLU 56 10.491 -2.250 1.783 415 HG3 GLU 56 HG3 GLU 56 10.931 -3.708 2.652 416 HE2 GLU 56 HE2 GLU 56 13.364 -2.231 4.253 417 H GLU 57 HN GLU 57 10.316 -3.684 -2.437 418 HA GLU 57 HA GLU 57 12.534 -4.962 -3.653 419 HB2 GLU 57 HB2 GLU 57 10.272 -5.970 -3.649 420 HB3 GLU 57 HB3 GLU 57 9.648 -4.625 -4.582 421 HG2 GLU 57 HG2 GLU 57 10.097 -6.478 -6.106 422 HG3 GLU 57 HG3 GLU 57 11.244 -5.196 -6.441 423 HE2 GLU 57 HE2 GLU 57 12.703 -8.340 -4.382 424 H MET 58 HN MET 58 10.768 -1.916 -4.041 425 HA MET 58 HA MET 58 12.178 -1.449 -6.538 426 HB2 MET 58 HB2 MET 58 9.894 0.056 -5.144 427 HB3 MET 58 HB3 MET 58 10.578 0.531 -6.687 428 HG2 MET 58 HG2 MET 58 10.022 -1.972 -7.395 429 HG3 MET 58 HG3 MET 58 8.928 -1.926 -6.027 430 HE1 MET 58 HE1 MET 58 9.603 -1.130 -9.562 431 HE2 MET 58 HE2 MET 58 8.193 -2.188 -9.314 432 HE3 MET 58 HE3 MET 58 7.989 -0.602 -10.097 433 H LYS 59 HN LYS 59 11.629 -0.120 -3.232 434 HA LYS 59 HA LYS 59 12.967 1.110 -1.955 435 HB2 LYS 59 HB2 LYS 59 14.972 1.266 -4.218 436 HB3 LYS 59 HB3 LYS 59 15.259 1.554 -2.514 437 HG2 LYS 59 HG2 LYS 59 14.122 -1.120 -3.343 438 HG3 LYS 59 HG3 LYS 59 15.822 -0.813 -3.635 439 HD2 LYS 59 HD2 LYS 59 14.743 -0.129 -0.907 440 HD3 LYS 59 HD3 LYS 59 14.924 -1.828 -1.297 441 HE2 LYS 59 HE2 LYS 59 17.312 -1.500 -1.834 442 HE3 LYS 59 HE3 LYS 59 17.160 0.231 -1.610 443 HZ1 LYS 59 HZ1 LYS 59 16.203 -1.048 0.707 444 HZ2 LYS 59 HZ2 LYS 59 17.660 -1.688 0.361 445 H LYS 60 HN LYS 60 10.779 2.202 -3.200 446 HA LYS 60 HA LYS 60 11.765 4.902 -3.778 447 HB2 LYS 60 HB2 LYS 60 9.776 3.266 -5.345 448 HB3 LYS 60 HB3 LYS 60 9.685 5.016 -5.336 449 HG2 LYS 60 HG2 LYS 60 11.709 5.278 -6.472 450 HG3 LYS 60 HG3 LYS 60 12.390 3.795 -5.831 451 HD2 LYS 60 HD2 LYS 60 11.716 2.625 -7.654 452 HD3 LYS 60 HD3 LYS 60 10.056 3.142 -7.433 453 HE2 LYS 60 HE2 LYS 60 10.515 5.255 -8.644 454 HE3 LYS 60 HE3 LYS 60 12.209 4.834 -8.790 455 HZ1 LYS 60 HZ1 LYS 60 10.619 4.279 -10.736 456 HZ2 LYS 60 HZ2 LYS 60 11.719 3.154 -10.317 457 H GLY 61 HN GLY 61 9.071 2.763 -2.687 458 HA2 GLY 61 HA1 GLY 61 7.578 4.927 -1.544 459 HA3 GLY 61 HA2 GLY 61 7.283 3.209 -1.369 460 HA PRO 62 HA PRO 62 8.979 4.920 2.633 461 HB2 PRO 62 HB2 PRO 62 6.824 4.396 4.203 462 HB3 PRO 62 HB3 PRO 62 6.873 5.831 3.128 463 HG2 PRO 62 HG2 PRO 62 5.168 3.174 2.265 464 HG3 PRO 62 HG3 PRO 62 5.166 4.936 2.601 465 HD2 PRO 62 HD2 PRO 62 5.981 3.568 0.175 466 HD3 PRO 62 HD3 PRO 62 6.141 5.313 0.538 467 H THR 63 HN THR 63 10.234 3.519 3.888 468 HA THR 63 HA THR 63 9.263 0.755 4.114 469 HB THR 63 HB THR 63 11.922 0.336 3.878 470 HG1 THR 63 HG1 THR 63 12.663 1.969 2.296 471 HG21 THR 63 HG21 THR 63 9.970 -0.410 2.277 472 HG22 THR 63 HG22 THR 63 10.406 1.033 1.330 473 HG23 THR 63 HG23 THR 63 11.603 -0.260 1.586 474 H LYS 64 HN LYS 64 9.262 3.248 5.870 475 HA LYS 64 HA LYS 64 10.650 1.951 8.104 476 HB2 LYS 64 HB2 LYS 64 11.439 4.361 6.924 477 HB3 LYS 64 HB3 LYS 64 10.539 4.854 8.345 478 HG2 LYS 64 HG2 LYS 64 12.888 4.528 8.961 479 HG3 LYS 64 HG3 LYS 64 11.916 3.302 9.751 480 HD2 LYS 64 HD2 LYS 64 13.335 1.770 8.852 481 HD3 LYS 64 HD3 LYS 64 12.556 2.089 7.315 482 HE2 LYS 64 HE2 LYS 64 14.304 4.185 7.357 483 HE3 LYS 64 HE3 LYS 64 15.209 3.050 8.337 484 HZ1 LYS 64 HZ1 LYS 64 14.053 2.175 5.764 485 HZ2 LYS 64 HZ2 LYS 64 15.488 2.943 5.795 486 H CYS 65 HN CYS 65 9.652 2.338 10.210 487 HA CYS 65 HA CYS 65 6.906 2.078 10.122 488 HB2 CYS 65 HB2 CYS 65 8.352 3.108 12.548 489 HB3 CYS 65 HB3 CYS 65 6.947 2.065 12.463 490 H GLY 66 HN GLY 66 9.056 4.919 10.739 491 HA2 GLY 66 HA1 GLY 66 6.799 6.703 11.099 492 HA3 GLY 66 HA2 GLY 66 8.504 7.101 11.158 493 H GLU 67 HN GLU 67 7.618 5.139 8.425 494 HA GLU 67 HA GLU 67 7.663 7.551 6.786 495 HB2 GLU 67 HB2 GLU 67 9.322 5.246 6.717 496 HB3 GLU 67 HB3 GLU 67 8.278 5.108 5.316 497 HG2 GLU 67 HG2 GLU 67 8.878 7.669 4.951 498 HG3 GLU 67 HG3 GLU 67 10.234 7.318 6.004 499 HE2 GLU 67 HE2 GLU 67 9.211 7.175 2.887 500 H CYS 68 HN CYS 68 5.628 5.219 8.036 501 HA CYS 68 HA CYS 68 3.865 5.463 5.713 502 HB2 CYS 68 HB2 CYS 68 4.890 3.016 6.910 503 HB3 CYS 68 HB3 CYS 68 3.140 3.071 6.997 504 H HIS 69 HN HIS 69 4.003 4.389 9.198 505 HA HIS 69 HA HIS 69 1.356 5.307 9.664 506 HB2 HIS 69 HB2 HIS 69 3.529 4.404 11.575 507 HB3 HIS 69 HB3 HIS 69 1.861 4.707 12.021 508 HD1 HIS 69 HD1 HIS 69 0.030 3.119 10.692 509 HD2 HIS 69 HD2 HIS 69 4.024 1.839 10.732 510 HE1 HIS 69 HE1 HIS 69 -0.009 0.637 10.102 511 H LYS 70 HN LYS 70 0.923 7.465 9.564 512 HA LYS 70 HA LYS 70 2.423 9.170 11.361 513 HB2 LYS 70 HB2 LYS 70 3.740 9.448 9.384 514 HB3 LYS 70 HB3 LYS 70 2.321 9.614 8.370 515 HG2 LYS 70 HG2 LYS 70 2.886 11.859 8.659 516 HG3 LYS 70 HG3 LYS 70 1.751 11.654 9.979 517 HD2 LYS 70 HD2 LYS 70 3.510 12.625 11.146 518 HD3 LYS 70 HD3 LYS 70 3.941 10.937 11.338 519 HE2 LYS 70 HE2 LYS 70 5.969 11.632 10.505 520 HE3 LYS 70 HE3 LYS 70 5.178 11.427 8.955 521 HZ1 LYS 70 HZ1 LYS 70 4.422 13.900 9.481 522 HZ2 LYS 70 HZ2 LYS 70 5.786 13.912 10.370 523 H LYS 71 HN LYS 71 0.849 9.984 12.630 524 HA LYS 71 HA LYS 71 -1.842 9.962 11.928 525 HB2 LYS 71 HB2 LYS 71 -1.445 9.971 14.204 526 HB3 LYS 71 HB3 LYS 71 -0.201 11.201 14.106 527 HG2 LYS 71 HG2 LYS 71 -1.709 12.927 14.233 528 HG3 LYS 71 HG3 LYS 71 -2.857 12.138 13.170 529 HD2 LYS 71 HD2 LYS 71 -2.713 10.622 15.632 530 HD3 LYS 71 HD3 LYS 71 -2.926 12.312 16.042 531 HE2 LYS 71 HE2 LYS 71 -5.144 11.963 15.640 532 HE3 LYS 71 HE3 LYS 71 -4.720 12.024 13.941 533 HZ1 LYS 71 HZ1 LYS 71 -4.369 9.581 14.042 534 HZ2 LYS 71 HZ2 LYS 71 -4.869 9.558 15.591 Start of MODEL 19 1 H1 ALA 1 HN ALA 1 -12.129 10.967 -1.519 2 HA ALA 1 HA ALA 1 -11.762 10.829 -3.742 3 HB1 ALA 1 HB1 ALA 1 -10.282 12.214 -4.751 4 HB2 ALA 1 HB2 ALA 1 -9.982 12.853 -3.117 5 HB3 ALA 1 HB3 ALA 1 -8.915 11.598 -3.791 6 H ASP 2 HN ASP 2 -9.468 9.796 -5.067 7 HA ASP 2 HA ASP 2 -9.630 7.206 -4.686 8 HB2 ASP 2 HB2 ASP 2 -7.811 8.969 -5.964 9 HB3 ASP 2 HB3 ASP 2 -6.797 7.890 -5.026 10 HD2 ASP 2 HD2 ASP 2 -7.554 6.560 -8.410 11 H ASP 3 HN ASP 3 -7.654 9.526 -2.772 12 HA ASP 3 HA ASP 3 -5.948 8.043 -1.437 13 HB2 ASP 3 HB2 ASP 3 -6.101 10.327 -0.820 14 HB3 ASP 3 HB3 ASP 3 -7.822 10.228 -0.504 15 HD2 ASP 3 HD2 ASP 3 -7.782 9.727 2.558 16 H ILE 4 HN ILE 4 -6.149 6.043 -0.421 17 HA ILE 4 HA ILE 4 -8.725 5.459 0.860 18 HB ILE 4 HB ILE 4 -6.820 3.862 -0.751 19 HG12 ILE 4 HG12 ILE 4 -9.825 3.908 -0.370 20 HG13 ILE 4 HG13 ILE 4 -8.917 4.546 -1.726 21 HG21 ILE 4 HG21 ILE 4 -6.523 2.624 1.230 22 HG22 ILE 4 HG22 ILE 4 -8.238 2.777 1.685 23 HG23 ILE 4 HG23 ILE 4 -7.770 1.751 0.307 24 HD11 ILE 4 HD11 ILE 4 -9.378 1.650 -0.960 25 HD12 ILE 4 HD12 ILE 4 -9.658 2.451 -2.525 26 HD13 ILE 4 HD13 ILE 4 -7.997 2.101 -1.989 27 H VAL 5 HN VAL 5 -8.568 6.013 2.983 28 HA VAL 5 HA VAL 5 -6.044 5.734 4.337 29 HB VAL 5 HB VAL 5 -8.712 6.432 5.549 30 HG11 VAL 5 HG11 VAL 5 -5.842 7.171 6.209 31 HG12 VAL 5 HG12 VAL 5 -7.273 7.858 7.014 32 HG13 VAL 5 HG13 VAL 5 -6.928 6.116 7.146 33 HG21 VAL 5 HG21 VAL 5 -8.677 7.890 3.700 34 HG22 VAL 5 HG22 VAL 5 -8.005 8.851 5.040 35 HG23 VAL 5 HG23 VAL 5 -6.919 8.145 3.819 36 H LEU 6 HN LEU 6 -5.382 4.012 5.531 37 HA LEU 6 HA LEU 6 -7.298 1.829 5.806 38 HB2 LEU 6 HB2 LEU 6 -4.287 1.937 6.009 39 HB3 LEU 6 HB3 LEU 6 -5.244 0.505 6.333 40 HG LEU 6 HG LEU 6 -5.358 1.948 3.679 41 HD11 LEU 6 HD11 LEU 6 -3.683 -0.508 4.071 42 HD12 LEU 6 HD12 LEU 6 -3.591 0.752 2.816 43 HD13 LEU 6 HD13 LEU 6 -3.012 1.094 4.464 44 HD21 LEU 6 HD21 LEU 6 -6.700 -0.340 4.831 45 HD22 LEU 6 HD22 LEU 6 -6.999 0.504 3.293 46 HD23 LEU 6 HD23 LEU 6 -5.793 -0.803 3.371 47 H LYS 7 HN LYS 7 -6.533 0.439 7.966 48 HA LYS 7 HA LYS 7 -7.069 2.340 10.115 49 HB2 LYS 7 HB2 LYS 7 -7.251 -0.674 10.260 50 HB3 LYS 7 HB3 LYS 7 -7.975 0.510 11.330 51 HG2 LYS 7 HG2 LYS 7 -8.960 1.253 8.811 52 HG3 LYS 7 HG3 LYS 7 -8.935 -0.497 8.722 53 HD2 LYS 7 HD2 LYS 7 -10.398 -0.742 10.590 54 HD3 LYS 7 HD3 LYS 7 -10.088 0.883 11.168 55 HE2 LYS 7 HE2 LYS 7 -11.610 1.843 9.717 56 HE3 LYS 7 HE3 LYS 7 -11.235 0.733 8.415 57 HZ1 LYS 7 HZ1 LYS 7 -13.412 0.203 9.196 58 HZ2 LYS 7 HZ2 LYS 7 -12.464 -0.999 9.751 59 H ALA 8 HN ALA 8 -5.846 2.284 12.100 60 HA ALA 8 HA ALA 8 -3.816 0.703 12.811 61 HB1 ALA 8 HB1 ALA 8 -3.072 2.288 10.426 62 HB2 ALA 8 HB2 ALA 8 -1.914 2.400 11.773 63 HB3 ALA 8 HB3 ALA 8 -2.337 0.810 11.093 64 H LYS 9 HN LYS 9 -3.972 1.350 14.903 65 HA LYS 9 HA LYS 9 -4.512 4.069 15.550 66 HB2 LYS 9 HB2 LYS 9 -4.560 3.303 17.825 67 HB3 LYS 9 HB3 LYS 9 -5.395 2.133 16.823 68 HG2 LYS 9 HG2 LYS 9 -2.975 0.992 16.694 69 HG3 LYS 9 HG3 LYS 9 -2.697 1.900 18.167 70 HD2 LYS 9 HD2 LYS 9 -5.282 0.383 18.016 71 HD3 LYS 9 HD3 LYS 9 -3.825 -0.583 18.135 72 HE2 LYS 9 HE2 LYS 9 -3.811 -0.190 20.369 73 HE3 LYS 9 HE3 LYS 9 -3.458 1.493 20.030 74 HZ1 LYS 9 HZ1 LYS 9 -6.207 0.371 20.155 75 HZ2 LYS 9 HZ2 LYS 9 -5.501 1.206 21.361 76 H ASN 10 HN ASN 10 -1.720 2.463 14.537 77 HA ASN 10 HA ASN 10 0.034 3.924 16.276 78 HB2 ASN 10 HB2 ASN 10 0.955 2.405 13.815 79 HB3 ASN 10 HB3 ASN 10 1.780 2.598 15.349 80 HD21 ASN 10 HD21 ASN 10 0.332 0.427 13.470 81 HD22 ASN 10 HD22 ASN 10 -0.301 -0.700 14.624 82 H GLY 11 HN GLY 11 -1.864 4.696 13.667 83 HA2 GLY 11 HA1 GLY 11 -1.456 7.016 12.887 84 HA3 GLY 11 HA2 GLY 11 0.158 6.487 12.457 85 H ASP 12 HN ASP 12 -3.041 6.899 11.344 86 HA ASP 12 HA ASP 12 -3.595 4.875 9.714 87 HB2 ASP 12 HB2 ASP 12 -4.059 7.788 9.705 88 HB3 ASP 12 HB3 ASP 12 -4.066 7.125 8.083 89 HD2 ASP 12 HD2 ASP 12 -6.525 5.180 10.458 90 H VAL 13 HN VAL 13 -3.256 4.642 7.257 91 HA VAL 13 HA VAL 13 -0.614 5.660 6.471 92 HB VAL 13 HB VAL 13 -1.782 2.947 5.830 93 HG11 VAL 13 HG11 VAL 13 0.932 4.200 5.311 94 HG12 VAL 13 HG12 VAL 13 0.582 2.465 5.122 95 HG13 VAL 13 HG13 VAL 13 -0.265 3.660 4.110 96 HG21 VAL 13 HG21 VAL 13 -0.319 3.902 8.183 97 HG22 VAL 13 HG22 VAL 13 -1.215 2.386 7.926 98 HG23 VAL 13 HG23 VAL 13 0.473 2.526 7.379 99 H LYS 14 HN LYS 14 -1.574 7.441 5.363 100 HA LYS 14 HA LYS 14 -3.708 7.118 3.570 101 HB2 LYS 14 HB2 LYS 14 -3.311 9.275 4.446 102 HB3 LYS 14 HB3 LYS 14 -1.618 9.252 3.996 103 HG2 LYS 14 HG2 LYS 14 -2.944 8.826 1.554 104 HG3 LYS 14 HG3 LYS 14 -3.972 9.982 2.377 105 HD2 LYS 14 HD2 LYS 14 -2.398 11.663 2.282 106 HD3 LYS 14 HD3 LYS 14 -1.059 10.573 2.577 107 HE2 LYS 14 HE2 LYS 14 -1.242 9.732 0.213 108 HE3 LYS 14 HE3 LYS 14 -2.552 10.860 -0.075 109 HZ1 LYS 14 HZ1 LYS 14 -0.175 12.089 1.023 110 HZ2 LYS 14 HZ2 LYS 14 0.051 11.446 -0.456 111 H LEU 15 HN LEU 15 -3.676 5.785 1.839 112 HA LEU 15 HA LEU 15 -1.146 5.567 0.380 113 HB2 LEU 15 HB2 LEU 15 -1.748 3.441 1.001 114 HB3 LEU 15 HB3 LEU 15 -3.466 3.749 0.845 115 HG LEU 15 HG LEU 15 -2.679 4.014 -1.753 116 HD11 LEU 15 HD11 LEU 15 -0.955 2.647 -2.377 117 HD12 LEU 15 HD12 LEU 15 -0.349 3.213 -0.802 118 HD13 LEU 15 HD13 LEU 15 -1.104 1.607 -0.940 119 HD21 LEU 15 HD21 LEU 15 -3.516 1.482 -0.314 120 HD22 LEU 15 HD22 LEU 15 -4.584 2.729 -1.002 121 HD23 LEU 15 HD23 LEU 15 -3.573 1.731 -2.075 122 HA PRO 16 HA PRO 16 -3.048 8.229 -2.608 123 HB2 PRO 16 HB2 PRO 16 -0.828 8.370 -4.237 124 HB3 PRO 16 HB3 PRO 16 -0.960 9.243 -2.675 125 HG2 PRO 16 HG2 PRO 16 0.760 6.623 -3.112 126 HG3 PRO 16 HG3 PRO 16 0.696 8.275 -2.417 127 HD2 PRO 16 HD2 PRO 16 -0.113 5.751 -1.200 128 HD3 PRO 16 HD3 PRO 16 -0.262 7.395 -0.507 129 H HIS 17 HN HIS 17 -4.340 5.957 -2.908 130 HA HIS 17 HA HIS 17 -3.643 4.026 -4.600 131 HB2 HIS 17 HB2 HIS 17 -5.833 4.344 -3.409 132 HB3 HIS 17 HB3 HIS 17 -6.326 5.431 -4.693 133 HD1 HIS 17 HD1 HIS 17 -7.407 4.384 -6.712 134 HD2 HIS 17 HD2 HIS 17 -5.296 1.595 -4.396 135 HE1 HIS 17 HE1 HIS 17 -7.912 2.093 -7.715 136 H LYS 18 HN LYS 18 -5.092 7.188 -5.665 137 HA LYS 18 HA LYS 18 -5.025 6.802 -8.346 138 HB2 LYS 18 HB2 LYS 18 -6.023 8.749 -7.316 139 HB3 LYS 18 HB3 LYS 18 -4.464 9.321 -6.757 140 HG2 LYS 18 HG2 LYS 18 -3.845 9.144 -9.367 141 HG3 LYS 18 HG3 LYS 18 -5.581 9.285 -9.561 142 HD2 LYS 18 HD2 LYS 18 -4.877 11.537 -9.603 143 HD3 LYS 18 HD3 LYS 18 -5.405 11.334 -7.944 144 HE2 LYS 18 HE2 LYS 18 -2.905 10.680 -7.453 145 HE3 LYS 18 HE3 LYS 18 -2.559 11.403 -9.012 146 HZ1 LYS 18 HZ1 LYS 18 -2.552 12.877 -6.877 147 HZ2 LYS 18 HZ2 LYS 18 -3.177 13.493 -8.249 148 H ALA 19 HN ALA 19 -2.352 8.410 -6.472 149 HA ALA 19 HA ALA 19 -0.532 8.514 -8.507 150 HB1 ALA 19 HB1 ALA 19 0.980 9.078 -6.847 151 HB2 ALA 19 HB2 ALA 19 -0.549 9.320 -5.970 152 HB3 ALA 19 HB3 ALA 19 0.387 7.826 -5.729 153 H HIS 20 HN HIS 20 -1.217 5.801 -6.216 154 HA HIS 20 HA HIS 20 0.827 4.159 -7.211 155 HB2 HIS 20 HB2 HIS 20 -1.611 3.770 -5.509 156 HB3 HIS 20 HB3 HIS 20 -0.777 2.358 -6.129 157 HD1 HIS 20 HD1 HIS 20 -0.337 5.265 -3.761 158 HD2 HIS 20 HD2 HIS 20 1.736 1.824 -4.967 159 HE1 HIS 20 HE1 HIS 20 1.579 4.966 -2.102 160 H GLN 21 HN GLN 21 -2.319 5.078 -8.420 161 HA GLN 21 HA GLN 21 -2.589 2.735 -10.028 162 HB2 GLN 21 HB2 GLN 21 -4.141 5.327 -9.751 163 HB3 GLN 21 HB3 GLN 21 -4.498 4.209 -11.052 164 HG2 GLN 21 HG2 GLN 21 -4.983 2.407 -9.463 165 HG3 GLN 21 HG3 GLN 21 -4.424 3.378 -8.116 166 HE21 GLN 21 HE21 GLN 21 -7.032 2.492 -10.062 167 HE22 GLN 21 HE22 GLN 21 -8.225 3.612 -9.494 168 H LYS 22 HN LYS 22 -0.757 5.619 -10.164 169 HA LYS 22 HA LYS 22 -0.691 5.543 -13.094 170 HB2 LYS 22 HB2 LYS 22 -1.282 7.700 -11.943 171 HB3 LYS 22 HB3 LYS 22 0.325 7.718 -11.245 172 HG2 LYS 22 HG2 LYS 22 0.992 7.294 -13.857 173 HG3 LYS 22 HG3 LYS 22 -0.518 8.152 -14.092 174 HD2 LYS 22 HD2 LYS 22 0.417 9.895 -12.385 175 HD3 LYS 22 HD3 LYS 22 1.969 9.119 -12.631 176 HE2 LYS 22 HE2 LYS 22 0.484 9.795 -15.136 177 HE3 LYS 22 HE3 LYS 22 1.008 11.174 -14.189 178 HZ1 LYS 22 HZ1 LYS 22 2.866 10.723 -15.480 179 HZ2 LYS 22 HZ2 LYS 22 3.258 9.881 -14.143 180 H ALA 23 HN ALA 23 1.237 5.294 -10.083 181 HA ALA 23 HA ALA 23 3.724 5.090 -11.428 182 HB1 ALA 23 HB1 ALA 23 2.645 4.779 -8.660 183 HB2 ALA 23 HB2 ALA 23 4.178 3.948 -9.021 184 HB3 ALA 23 HB3 ALA 23 4.046 5.709 -9.245 185 H VAL 24 HN VAL 24 1.103 2.852 -10.559 186 HA VAL 24 HA VAL 24 2.698 0.701 -11.770 187 HB VAL 24 HB VAL 24 0.811 0.629 -9.414 188 HG11 VAL 24 HG11 VAL 24 0.718 -1.689 -9.470 189 HG12 VAL 24 HG12 VAL 24 0.606 -1.276 -11.198 190 HG13 VAL 24 HG13 VAL 24 2.154 -1.829 -10.513 191 HG21 VAL 24 HG21 VAL 24 3.153 -0.748 -8.806 192 HG22 VAL 24 HG22 VAL 24 3.712 0.657 -9.744 193 HG23 VAL 24 HG23 VAL 24 2.724 0.899 -8.283 194 HA PRO 25 HA PRO 25 -0.857 1.713 -14.501 195 HB2 PRO 25 HB2 PRO 25 1.072 0.361 -16.380 196 HB3 PRO 25 HB3 PRO 25 0.169 1.903 -16.541 197 HG2 PRO 25 HG2 PRO 25 2.879 2.005 -15.981 198 HG3 PRO 25 HG3 PRO 25 1.533 3.043 -15.410 199 HD2 PRO 25 HD2 PRO 25 2.901 0.670 -14.025 200 HD3 PRO 25 HD3 PRO 25 2.575 2.304 -13.370 201 H ASP 26 HN ASP 26 0.842 -1.173 -13.424 202 HA ASP 26 HA ASP 26 -1.084 -2.832 -14.807 203 HB2 ASP 26 HB2 ASP 26 0.742 -4.258 -13.026 204 HB3 ASP 26 HB3 ASP 26 0.530 -4.434 -14.756 205 HD2 ASP 26 HD2 ASP 26 2.300 -2.665 -12.373 206 H CYS 27 HN CYS 27 -3.014 -2.527 -13.550 207 HA CYS 27 HA CYS 27 -2.886 -2.537 -10.705 208 HB2 CYS 27 HB2 CYS 27 -5.455 -2.957 -12.158 209 HB3 CYS 27 HB3 CYS 27 -5.114 -2.003 -10.729 210 H LYS 28 HN LYS 28 -1.578 -4.727 -10.937 211 HA LYS 28 HA LYS 28 -3.524 -6.857 -10.530 212 HB2 LYS 28 HB2 LYS 28 -1.986 -8.395 -11.859 213 HB3 LYS 28 HB3 LYS 28 -3.008 -7.303 -12.772 214 HG2 LYS 28 HG2 LYS 28 -1.133 -5.726 -13.075 215 HG3 LYS 28 HG3 LYS 28 -0.104 -6.699 -12.043 216 HD2 LYS 28 HD2 LYS 28 -0.471 -8.639 -13.694 217 HD3 LYS 28 HD3 LYS 28 -1.244 -7.484 -14.762 218 HE2 LYS 28 HE2 LYS 28 0.748 -6.356 -15.230 219 HE3 LYS 28 HE3 LYS 28 1.457 -6.729 -13.671 220 HZ1 LYS 28 HZ1 LYS 28 2.259 -8.698 -14.447 221 HZ2 LYS 28 HZ2 LYS 28 0.954 -9.037 -15.361 222 H LYS 29 HN LYS 29 -0.094 -5.728 -10.384 223 HA LYS 29 HA LYS 29 0.811 -7.643 -8.603 224 HB2 LYS 29 HB2 LYS 29 1.715 -4.759 -8.843 225 HB3 LYS 29 HB3 LYS 29 2.633 -6.086 -8.160 226 HG2 LYS 29 HG2 LYS 29 1.572 -6.470 -10.947 227 HG3 LYS 29 HG3 LYS 29 2.875 -5.314 -10.752 228 HD2 LYS 29 HD2 LYS 29 3.715 -7.500 -9.198 229 HD3 LYS 29 HD3 LYS 29 2.944 -8.260 -10.576 230 HE2 LYS 29 HE2 LYS 29 4.459 -6.164 -11.713 231 HE3 LYS 29 HE3 LYS 29 5.492 -6.794 -10.445 232 HZ1 LYS 29 HZ1 LYS 29 4.274 -8.925 -11.890 233 HZ2 LYS 29 HZ2 LYS 29 5.072 -7.944 -12.916 234 H CYS 30 HN CYS 30 -1.459 -5.040 -8.171 235 HA CYS 30 HA CYS 30 -1.138 -5.260 -5.272 236 HB2 CYS 30 HB2 CYS 30 -1.722 -3.021 -7.045 237 HB3 CYS 30 HB3 CYS 30 -2.948 -3.185 -5.804 238 H HIS 31 HN HIS 31 -3.299 -5.623 -8.098 239 HA HIS 31 HA HIS 31 -5.354 -6.670 -6.294 240 HB2 HIS 31 HB2 HIS 31 -5.549 -5.420 -9.041 241 HB3 HIS 31 HB3 HIS 31 -6.871 -6.303 -8.305 242 HD1 HIS 31 HD1 HIS 31 -7.642 -5.297 -5.832 243 HD2 HIS 31 HD2 HIS 31 -5.477 -2.763 -8.378 244 HE1 HIS 31 HE1 HIS 31 -8.045 -2.923 -4.988 245 H GLU 32 HN GLU 32 -5.095 -8.847 -6.095 246 HA GLU 32 HA GLU 32 -3.850 -10.347 -8.120 247 HB2 GLU 32 HB2 GLU 32 -3.639 -11.045 -5.810 248 HB3 GLU 32 HB3 GLU 32 -5.378 -11.120 -5.603 249 HG2 GLU 32 HG2 GLU 32 -5.333 -13.294 -6.238 250 HG3 GLU 32 HG3 GLU 32 -4.808 -12.796 -7.834 251 HE2 GLU 32 HE2 GLU 32 -3.178 -14.597 -7.961 252 H LYS 33 HN LYS 33 -6.810 -11.727 -6.763 253 HA LYS 33 HA LYS 33 -7.786 -12.811 -8.996 254 HB2 LYS 33 HB2 LYS 33 -9.196 -11.656 -6.594 255 HB3 LYS 33 HB3 LYS 33 -10.099 -12.429 -7.881 256 HG2 LYS 33 HG2 LYS 33 -9.656 -14.399 -6.834 257 HG3 LYS 33 HG3 LYS 33 -8.019 -14.240 -7.441 258 HD2 LYS 33 HD2 LYS 33 -7.632 -12.742 -5.297 259 HD3 LYS 33 HD3 LYS 33 -9.092 -13.504 -4.701 260 HE2 LYS 33 HE2 LYS 33 -7.224 -15.467 -5.866 261 HE3 LYS 33 HE3 LYS 33 -6.489 -14.561 -4.559 262 HZ1 LYS 33 HZ1 LYS 33 -8.865 -15.125 -3.480 263 HZ2 LYS 33 HZ2 LYS 33 -8.714 -16.430 -4.443 264 H GLY 34 HN GLY 34 -7.820 -9.370 -8.142 265 HA2 GLY 34 HA1 GLY 34 -7.937 -8.253 -10.537 266 HA3 GLY 34 HA2 GLY 34 -9.614 -8.725 -10.350 267 HA PRO 35 HA PRO 35 -8.625 -4.436 -8.519 268 HB2 PRO 35 HB2 PRO 35 -10.811 -3.303 -9.853 269 HB3 PRO 35 HB3 PRO 35 -9.131 -3.348 -10.481 270 HG2 PRO 35 HG2 PRO 35 -11.265 -5.153 -10.762 271 HG3 PRO 35 HG3 PRO 35 -10.570 -4.832 -12.384 272 HD2 PRO 35 HD2 PRO 35 -9.646 -6.985 -11.488 273 HD3 PRO 35 HD3 PRO 35 -8.357 -5.745 -11.443 274 H GLY 36 HN GLY 36 -9.478 -4.167 -6.457 275 HA2 GLY 36 HA1 GLY 36 -11.831 -3.726 -5.522 276 HA3 GLY 36 HA2 GLY 36 -12.099 -5.407 -5.939 277 H LYS 37 HN LYS 37 -12.474 -5.783 -3.609 278 HA LYS 37 HA LYS 37 -10.575 -5.248 -1.660 279 HB2 LYS 37 HB2 LYS 37 -11.877 -6.589 -0.253 280 HB3 LYS 37 HB3 LYS 37 -13.021 -5.948 -1.415 281 HG2 LYS 37 HG2 LYS 37 -12.962 -8.040 -2.712 282 HG3 LYS 37 HG3 LYS 37 -11.683 -8.678 -1.699 283 HD2 LYS 37 HD2 LYS 37 -13.147 -8.801 0.234 284 HD3 LYS 37 HD3 LYS 37 -14.390 -7.857 -0.563 285 HE2 LYS 37 HE2 LYS 37 -15.022 -9.636 -1.992 286 HE3 LYS 37 HE3 LYS 37 -13.479 -10.452 -1.833 287 HZ1 LYS 37 HZ1 LYS 37 -14.896 -10.174 0.669 288 HZ2 LYS 37 HZ2 LYS 37 -15.690 -11.092 -0.417 289 H ILE 38 HN ILE 38 -8.975 -6.589 -0.632 290 HA ILE 38 HA ILE 38 -7.963 -8.667 -2.446 291 HB ILE 38 HB ILE 38 -6.367 -6.916 -0.577 292 HG12 ILE 38 HG12 ILE 38 -6.540 -6.655 -3.587 293 HG13 ILE 38 HG13 ILE 38 -7.520 -5.699 -2.494 294 HG21 ILE 38 HG21 ILE 38 -5.269 -9.010 -0.959 295 HG22 ILE 38 HG22 ILE 38 -5.572 -8.913 -2.710 296 HG23 ILE 38 HG23 ILE 38 -4.452 -7.766 -1.935 297 HD11 ILE 38 HD11 ILE 38 -5.106 -5.282 -1.332 298 HD12 ILE 38 HD12 ILE 38 -4.569 -5.581 -3.003 299 HD13 ILE 38 HD13 ILE 38 -5.718 -4.265 -2.659 300 H GLU 39 HN GLU 39 -7.664 -10.702 -1.633 301 HA GLU 39 HA GLU 39 -8.489 -11.031 1.118 302 HB2 GLU 39 HB2 GLU 39 -8.590 -12.662 -1.351 303 HB3 GLU 39 HB3 GLU 39 -8.130 -13.582 0.068 304 HG2 GLU 39 HG2 GLU 39 -10.142 -12.937 1.257 305 HG3 GLU 39 HG3 GLU 39 -10.536 -11.711 0.068 306 HE2 GLU 39 HE2 GLU 39 -11.362 -15.367 0.206 307 H GLY 40 HN GLY 40 -7.063 -11.518 2.745 308 HA2 GLY 40 HA1 GLY 40 -5.207 -12.845 3.489 309 HA3 GLY 40 HA2 GLY 40 -4.405 -12.543 1.960 310 H PHE 41 HN PHE 41 -4.831 -9.765 1.605 311 HA PHE 41 HA PHE 41 -2.799 -8.736 3.232 312 HB2 PHE 41 HB2 PHE 41 -3.475 -7.988 0.904 313 HB3 PHE 41 HB3 PHE 41 -5.006 -7.418 1.538 314 HD1 PHE 41 HD1 PHE 41 -4.926 -5.550 3.307 315 HD2 PHE 41 HD2 PHE 41 -1.624 -6.564 0.841 316 HE1 PHE 41 HE1 PHE 41 -3.906 -3.300 3.748 317 HE2 PHE 41 HE2 PHE 41 -0.604 -4.313 1.283 318 HZ PHE 41 HZ PHE 41 -1.757 -2.708 2.731 319 H GLY 42 HN GLY 42 -2.835 -7.196 4.938 320 HA2 GLY 42 HA1 GLY 42 -5.168 -5.998 5.944 321 HA3 GLY 42 HA2 GLY 42 -4.891 -7.491 6.821 322 H LYS 43 HN LYS 43 -1.928 -7.435 6.524 323 HA LYS 43 HA LYS 43 -1.030 -4.977 7.653 324 HB2 LYS 43 HB2 LYS 43 -2.237 -6.105 9.579 325 HB3 LYS 43 HB3 LYS 43 -1.025 -7.369 9.510 326 HG2 LYS 43 HG2 LYS 43 0.440 -4.931 9.460 327 HG3 LYS 43 HG3 LYS 43 -0.822 -4.682 10.649 328 HD2 LYS 43 HD2 LYS 43 0.069 -7.283 11.209 329 HD3 LYS 43 HD3 LYS 43 1.544 -6.447 10.769 330 HE2 LYS 43 HE2 LYS 43 -0.015 -4.700 12.474 331 HE3 LYS 43 HE3 LYS 43 0.080 -6.274 13.239 332 HZ1 LYS 43 HZ1 LYS 43 2.618 -5.622 12.199 333 HZ2 LYS 43 HZ2 LYS 43 2.102 -4.358 13.087 334 H GLU 44 HN GLU 44 0.041 -8.374 8.268 335 HA GLU 44 HA GLU 44 2.612 -8.092 7.824 336 HB2 GLU 44 HB2 GLU 44 1.810 -10.245 8.434 337 HB3 GLU 44 HB3 GLU 44 0.758 -10.357 7.036 338 HG2 GLU 44 HG2 GLU 44 2.625 -11.781 6.548 339 HG3 GLU 44 HG3 GLU 44 2.865 -10.345 5.572 340 HE2 GLU 44 HE2 GLU 44 5.398 -9.202 7.930 341 H MET 45 HN MET 45 0.189 -8.663 5.182 342 HA MET 45 HA MET 45 1.870 -8.783 3.080 343 HB2 MET 45 HB2 MET 45 -0.937 -7.779 3.547 344 HB3 MET 45 HB3 MET 45 -0.220 -7.364 2.002 345 HG2 MET 45 HG2 MET 45 0.409 -10.112 2.400 346 HG3 MET 45 HG3 MET 45 -1.258 -9.943 2.914 347 HE1 MET 45 HE1 MET 45 -2.017 -11.392 1.432 348 HE2 MET 45 HE2 MET 45 -2.684 -10.910 -0.147 349 HE3 MET 45 HE3 MET 45 -1.089 -11.695 -0.056 350 H ALA 46 HN ALA 46 0.420 -5.771 4.506 351 HA ALA 46 HA ALA 46 1.636 -3.994 2.747 352 HB1 ALA 46 HB1 ALA 46 0.912 -2.323 4.270 353 HB2 ALA 46 HB2 ALA 46 -0.265 -3.646 4.452 354 HB3 ALA 46 HB3 ALA 46 1.021 -3.427 5.662 355 H HIS 47 HN HIS 47 2.727 -5.374 5.904 356 HA HIS 47 HA HIS 47 5.127 -3.858 5.883 357 HB2 HIS 47 HB2 HIS 47 4.311 -6.291 7.497 358 HB3 HIS 47 HB3 HIS 47 5.742 -5.322 7.792 359 HD1 HIS 47 HD1 HIS 47 2.809 -5.771 9.438 360 HD2 HIS 47 HD2 HIS 47 4.465 -2.313 7.736 361 HE1 HIS 47 HE1 HIS 47 1.718 -3.795 10.628 362 H GLY 48 HN GLY 48 4.087 -6.212 3.818 363 HA2 GLY 48 HA1 GLY 48 6.825 -6.944 3.128 364 HA3 GLY 48 HA2 GLY 48 5.747 -8.257 3.555 365 H LYS 49 HN LYS 49 5.296 -9.261 1.616 366 HA LYS 49 HA LYS 49 5.115 -7.925 -0.823 367 HB2 LYS 49 HB2 LYS 49 5.452 -10.450 -0.214 368 HB3 LYS 49 HB3 LYS 49 3.703 -10.524 -0.276 369 HG2 LYS 49 HG2 LYS 49 3.716 -10.500 -2.545 370 HG3 LYS 49 HG3 LYS 49 4.672 -9.032 -2.576 371 HD2 LYS 49 HD2 LYS 49 6.633 -10.782 -1.882 372 HD3 LYS 49 HD3 LYS 49 5.575 -11.894 -2.727 373 HE2 LYS 49 HE2 LYS 49 6.616 -9.262 -3.883 374 HE3 LYS 49 HE3 LYS 49 7.280 -10.844 -4.242 375 HZ1 LYS 49 HZ1 LYS 49 4.486 -10.897 -4.666 376 HZ2 LYS 49 HZ2 LYS 49 5.104 -9.631 -5.482 377 H GLY 50 HN GLY 50 3.809 -6.030 -0.384 378 HA2 GLY 50 HA1 GLY 50 1.126 -6.325 -1.160 379 HA3 GLY 50 HA2 GLY 50 1.179 -6.142 0.582 380 H CYS 51 HN CYS 51 3.410 -4.418 0.916 381 HA CYS 51 HA CYS 51 2.770 -2.112 -0.739 382 HB2 CYS 51 HB2 CYS 51 2.856 -1.952 2.278 383 HB3 CYS 51 HB3 CYS 51 2.554 -0.639 1.158 384 H LYS 52 HN LYS 52 4.725 -3.353 2.074 385 HA LYS 52 HA LYS 52 6.938 -1.701 1.479 386 HB2 LYS 52 HB2 LYS 52 6.141 -3.605 3.505 387 HB3 LYS 52 HB3 LYS 52 7.794 -3.911 3.014 388 HG2 LYS 52 HG2 LYS 52 7.754 -1.134 3.168 389 HG3 LYS 52 HG3 LYS 52 6.654 -1.579 4.458 390 HD2 LYS 52 HD2 LYS 52 8.788 -1.552 5.508 391 HD3 LYS 52 HD3 LYS 52 8.471 -3.254 5.236 392 HE2 LYS 52 HE2 LYS 52 9.958 -3.354 3.355 393 HE3 LYS 52 HE3 LYS 52 9.990 -1.611 3.176 394 HZ1 LYS 52 HZ1 LYS 52 11.433 -3.265 5.105 395 HZ2 LYS 52 HZ2 LYS 52 11.934 -1.925 4.327 396 H GLY 53 HN GLY 53 6.244 -5.223 0.946 397 HA2 GLY 53 HA1 GLY 53 8.481 -6.159 -0.153 398 HA3 GLY 53 HA2 GLY 53 6.895 -6.525 -0.801 399 H CYS 54 HN CYS 54 6.068 -4.093 -1.919 400 HA CYS 54 HA CYS 54 7.640 -4.087 -4.279 401 HB2 CYS 54 HB2 CYS 54 5.148 -3.823 -4.228 402 HB3 CYS 54 HB3 CYS 54 5.358 -2.234 -3.522 403 H HIS 55 HN HIS 55 7.084 -1.910 -1.456 404 HA HIS 55 HA HIS 55 8.496 0.274 -2.424 405 HB2 HIS 55 HB2 HIS 55 7.973 -0.688 0.400 406 HB3 HIS 55 HB3 HIS 55 8.705 0.859 0.024 407 HD1 HIS 55 HD1 HIS 55 6.012 0.748 1.525 408 HD2 HIS 55 HD2 HIS 55 6.357 1.093 -2.642 409 HE1 HIS 55 HE1 HIS 55 3.829 1.789 0.710 410 H GLU 56 HN GLU 56 9.551 -2.607 -0.512 411 HA GLU 56 HA GLU 56 12.229 -1.661 -0.445 412 HB2 GLU 56 HB2 GLU 56 12.594 -4.110 0.419 413 HB3 GLU 56 HB3 GLU 56 11.704 -2.979 1.418 414 HG2 GLU 56 HG2 GLU 56 9.708 -4.093 1.148 415 HG3 GLU 56 HG3 GLU 56 10.017 -4.457 -0.538 416 HE2 GLU 56 HE2 GLU 56 10.425 -5.557 2.637 417 H GLU 57 HN GLU 57 10.222 -3.548 -2.619 418 HA GLU 57 HA GLU 57 12.429 -4.858 -3.851 419 HB2 GLU 57 HB2 GLU 57 10.325 -6.018 -3.882 420 HB3 GLU 57 HB3 GLU 57 9.471 -4.622 -4.509 421 HG2 GLU 57 HG2 GLU 57 9.844 -6.260 -6.313 422 HG3 GLU 57 HG3 GLU 57 10.732 -4.787 -6.649 423 HE2 GLU 57 HE2 GLU 57 12.709 -8.172 -6.232 424 H MET 58 HN MET 58 10.403 -1.953 -4.411 425 HA MET 58 HA MET 58 11.832 -1.461 -6.877 426 HB2 MET 58 HB2 MET 58 9.490 -0.064 -5.470 427 HB3 MET 58 HB3 MET 58 10.168 0.507 -6.982 428 HG2 MET 58 HG2 MET 58 9.756 -2.028 -7.755 429 HG3 MET 58 HG3 MET 58 8.594 -2.019 -6.442 430 HE1 MET 58 HE1 MET 58 8.417 -0.499 -10.515 431 HE2 MET 58 HE2 MET 58 9.238 -1.840 -9.681 432 HE3 MET 58 HE3 MET 58 7.492 -1.935 -10.014 433 H LYS 59 HN LYS 59 11.293 -0.061 -3.597 434 HA LYS 59 HA LYS 59 12.626 1.233 -2.375 435 HB2 LYS 59 HB2 LYS 59 14.437 0.274 -4.341 436 HB3 LYS 59 HB3 LYS 59 14.729 1.995 -4.187 437 HG2 LYS 59 HG2 LYS 59 16.005 1.383 -2.385 438 HG3 LYS 59 HG3 LYS 59 14.471 1.330 -1.540 439 HD2 LYS 59 HD2 LYS 59 14.627 -0.915 -1.249 440 HD3 LYS 59 HD3 LYS 59 14.865 -1.176 -2.965 441 HE2 LYS 59 HE2 LYS 59 16.977 -1.835 -2.407 442 HE3 LYS 59 HE3 LYS 59 17.327 -0.128 -2.221 443 HZ1 LYS 59 HZ1 LYS 59 16.224 -1.720 0.020 444 HZ2 LYS 59 HZ2 LYS 59 17.828 -1.604 -0.234 445 H LYS 60 HN LYS 60 10.359 2.191 -3.655 446 HA LYS 60 HA LYS 60 11.225 4.915 -4.325 447 HB2 LYS 60 HB2 LYS 60 10.056 3.164 -6.109 448 HB3 LYS 60 HB3 LYS 60 8.674 4.057 -5.508 449 HG2 LYS 60 HG2 LYS 60 9.263 5.661 -7.017 450 HG3 LYS 60 HG3 LYS 60 10.519 6.094 -5.874 451 HD2 LYS 60 HD2 LYS 60 11.147 3.818 -7.725 452 HD3 LYS 60 HD3 LYS 60 11.026 5.402 -8.465 453 HE2 LYS 60 HE2 LYS 60 12.611 5.272 -5.925 454 HE3 LYS 60 HE3 LYS 60 13.314 4.447 -7.302 455 HZ1 LYS 60 HZ1 LYS 60 13.975 6.795 -7.217 456 HZ2 LYS 60 HZ2 LYS 60 13.124 6.512 -8.576 457 H GLY 61 HN GLY 61 8.697 2.738 -2.958 458 HA2 GLY 61 HA1 GLY 61 7.257 4.938 -1.772 459 HA3 GLY 61 HA2 GLY 61 6.940 3.224 -1.594 460 HA PRO 62 HA PRO 62 8.894 4.849 2.320 461 HB2 PRO 62 HB2 PRO 62 6.818 4.430 4.008 462 HB3 PRO 62 HB3 PRO 62 6.843 5.845 2.905 463 HG2 PRO 62 HG2 PRO 62 5.030 3.213 2.171 464 HG3 PRO 62 HG3 PRO 62 5.068 4.979 2.486 465 HD2 PRO 62 HD2 PRO 62 5.727 3.578 0.034 466 HD3 PRO 62 HD3 PRO 62 5.939 5.323 0.371 467 H THR 63 HN THR 63 10.019 3.434 3.724 468 HA THR 63 HA THR 63 8.997 0.699 3.914 469 HB THR 63 HB THR 63 11.558 0.083 3.536 470 HG1 THR 63 HG1 THR 63 11.124 2.574 2.049 471 HG21 THR 63 HG21 THR 63 10.875 -0.664 1.483 472 HG22 THR 63 HG22 THR 63 9.326 0.157 1.793 473 HG23 THR 63 HG23 THR 63 10.619 1.000 0.905 474 H LYS 64 HN LYS 64 9.019 3.071 5.713 475 HA LYS 64 HA LYS 64 10.487 1.758 7.873 476 HB2 LYS 64 HB2 LYS 64 11.246 4.226 6.674 477 HB3 LYS 64 HB3 LYS 64 10.581 4.603 8.250 478 HG2 LYS 64 HG2 LYS 64 12.068 2.800 9.247 479 HG3 LYS 64 HG3 LYS 64 12.795 2.582 7.667 480 HD2 LYS 64 HD2 LYS 64 14.254 4.233 8.215 481 HD3 LYS 64 HD3 LYS 64 12.923 5.362 8.056 482 HE2 LYS 64 HE2 LYS 64 12.344 5.016 10.470 483 HE3 LYS 64 HE3 LYS 64 13.676 3.889 10.628 484 HZ1 LYS 64 HZ1 LYS 64 15.095 5.605 10.838 485 HZ2 LYS 64 HZ2 LYS 64 14.567 6.345 9.487 486 H CYS 65 HN CYS 65 9.585 2.207 10.015 487 HA CYS 65 HA CYS 65 6.824 2.088 10.014 488 HB2 CYS 65 HB2 CYS 65 8.358 3.043 12.409 489 HB3 CYS 65 HB3 CYS 65 6.942 2.013 12.336 490 H GLY 66 HN GLY 66 9.153 4.804 10.439 491 HA2 GLY 66 HA1 GLY 66 7.007 6.710 10.922 492 HA3 GLY 66 HA2 GLY 66 8.733 7.014 10.924 493 H GLU 67 HN GLU 67 7.602 5.103 8.233 494 HA GLU 67 HA GLU 67 7.684 7.513 6.589 495 HB2 GLU 67 HB2 GLU 67 9.063 4.899 6.345 496 HB3 GLU 67 HB3 GLU 67 8.302 5.434 4.859 497 HG2 GLU 67 HG2 GLU 67 9.446 7.702 5.199 498 HG3 GLU 67 HG3 GLU 67 10.333 6.984 6.529 499 HE2 GLU 67 HE2 GLU 67 12.613 6.284 5.273 500 H CYS 68 HN CYS 68 5.621 5.314 7.921 501 HA CYS 68 HA CYS 68 3.834 5.505 5.618 502 HB2 CYS 68 HB2 CYS 68 4.854 3.058 6.823 503 HB3 CYS 68 HB3 CYS 68 3.107 3.134 6.933 504 H HIS 69 HN HIS 69 4.011 4.438 9.102 505 HA HIS 69 HA HIS 69 1.391 5.394 9.615 506 HB2 HIS 69 HB2 HIS 69 3.598 4.476 11.479 507 HB3 HIS 69 HB3 HIS 69 1.952 4.821 11.974 508 HD1 HIS 69 HD1 HIS 69 0.045 3.263 10.719 509 HD2 HIS 69 HD2 HIS 69 4.008 1.892 10.651 510 HE1 HIS 69 HE1 HIS 69 -0.069 0.776 10.159 511 H LYS 70 HN LYS 70 1.000 7.562 9.458 512 HA LYS 70 HA LYS 70 2.627 9.273 11.167 513 HB2 LYS 70 HB2 LYS 70 2.074 9.859 8.242 514 HB3 LYS 70 HB3 LYS 70 2.772 10.988 9.385 515 HG2 LYS 70 HG2 LYS 70 3.997 8.249 8.842 516 HG3 LYS 70 HG3 LYS 70 4.433 9.672 7.917 517 HD2 LYS 70 HD2 LYS 70 4.546 9.750 10.948 518 HD3 LYS 70 HD3 LYS 70 5.855 9.013 10.046 519 HE2 LYS 70 HE2 LYS 70 6.722 11.102 9.810 520 HE3 LYS 70 HE3 LYS 70 5.427 11.419 8.672 521 HZ1 LYS 70 HZ1 LYS 70 4.362 12.707 10.182 522 HZ2 LYS 70 HZ2 LYS 70 4.626 11.699 11.433 523 H LYS 71 HN LYS 71 1.174 9.998 12.626 524 HA LYS 71 HA LYS 71 -1.563 9.953 12.260 525 HB2 LYS 71 HB2 LYS 71 -0.079 10.186 14.395 526 HB3 LYS 71 HB3 LYS 71 -0.210 11.909 14.106 527 HG2 LYS 71 HG2 LYS 71 -2.844 10.808 13.783 528 HG3 LYS 71 HG3 LYS 71 -2.179 10.113 15.248 529 HD2 LYS 71 HD2 LYS 71 -1.604 13.001 15.018 530 HD3 LYS 71 HD3 LYS 71 -3.323 12.664 14.999 531 HE2 LYS 71 HE2 LYS 71 -3.326 12.212 17.225 532 HE3 LYS 71 HE3 LYS 71 -2.055 11.020 17.037 533 HZ1 LYS 71 HZ1 LYS 71 -1.796 13.863 17.692 534 HZ2 LYS 71 HZ2 LYS 71 -0.981 12.594 18.306 Start of MODEL 20 1 H1 ALA 1 HN ALA 1 -12.518 12.079 -3.862 2 HA ALA 1 HA ALA 1 -10.210 11.819 -3.971 3 HB1 ALA 1 HB1 ALA 1 -9.501 12.014 -1.656 4 HB2 ALA 1 HB2 ALA 1 -11.080 12.816 -1.836 5 HB3 ALA 1 HB3 ALA 1 -10.981 11.202 -1.092 6 H ASP 2 HN ASP 2 -9.023 10.239 -4.919 7 HA ASP 2 HA ASP 2 -9.519 7.591 -4.743 8 HB2 ASP 2 HB2 ASP 2 -7.585 9.263 -5.932 9 HB3 ASP 2 HB3 ASP 2 -6.634 8.161 -4.956 10 HD2 ASP 2 HD2 ASP 2 -9.526 7.449 -6.944 11 H ASP 3 HN ASP 3 -7.584 9.734 -2.622 12 HA ASP 3 HA ASP 3 -5.953 8.172 -1.296 13 HB2 ASP 3 HB2 ASP 3 -6.087 10.347 -0.447 14 HB3 ASP 3 HB3 ASP 3 -7.839 10.338 -0.406 15 HD2 ASP 3 HD2 ASP 3 -5.479 10.523 1.927 16 H ILE 4 HN ILE 4 -6.203 6.090 -0.472 17 HA ILE 4 HA ILE 4 -8.829 5.414 0.652 18 HB ILE 4 HB ILE 4 -6.857 3.941 -1.000 19 HG12 ILE 4 HG12 ILE 4 -9.879 3.893 -0.750 20 HG13 ILE 4 HG13 ILE 4 -8.950 4.767 -1.953 21 HG21 ILE 4 HG21 ILE 4 -8.140 2.798 1.428 22 HG22 ILE 4 HG22 ILE 4 -8.165 1.811 -0.053 23 HG23 ILE 4 HG23 ILE 4 -6.614 2.370 0.619 24 HD11 ILE 4 HD11 ILE 4 -9.006 2.921 -3.260 25 HD12 ILE 4 HD12 ILE 4 -7.991 2.090 -2.057 26 HD13 ILE 4 HD13 ILE 4 -9.764 1.978 -1.955 27 H VAL 5 HN VAL 5 -8.352 6.375 2.715 28 HA VAL 5 HA VAL 5 -6.020 5.744 4.145 29 HB VAL 5 HB VAL 5 -8.745 6.604 5.137 30 HG11 VAL 5 HG11 VAL 5 -6.012 6.957 6.412 31 HG12 VAL 5 HG12 VAL 5 -7.578 7.475 7.079 32 HG13 VAL 5 HG13 VAL 5 -7.218 5.741 6.898 33 HG21 VAL 5 HG21 VAL 5 -7.021 8.808 5.109 34 HG22 VAL 5 HG22 VAL 5 -6.739 7.992 3.553 35 HG23 VAL 5 HG23 VAL 5 -8.384 8.499 4.008 36 H LEU 6 HN LEU 6 -5.414 3.899 5.154 37 HA LEU 6 HA LEU 6 -7.349 1.752 5.273 38 HB2 LEU 6 HB2 LEU 6 -4.375 1.927 5.734 39 HB3 LEU 6 HB3 LEU 6 -5.299 0.473 6.056 40 HG LEU 6 HG LEU 6 -5.366 1.794 3.344 41 HD11 LEU 6 HD11 LEU 6 -3.397 0.925 2.666 42 HD12 LEU 6 HD12 LEU 6 -2.995 1.059 4.394 43 HD13 LEU 6 HD13 LEU 6 -3.530 -0.501 3.723 44 HD21 LEU 6 HD21 LEU 6 -6.945 -0.135 4.274 45 HD22 LEU 6 HD22 LEU 6 -6.377 -0.099 2.587 46 HD23 LEU 6 HD23 LEU 6 -5.569 -1.148 3.776 47 H LYS 7 HN LYS 7 -6.589 0.305 7.498 48 HA LYS 7 HA LYS 7 -7.335 2.155 9.654 49 HB2 LYS 7 HB2 LYS 7 -8.424 0.227 10.719 50 HB3 LYS 7 HB3 LYS 7 -9.111 0.587 9.148 51 HG2 LYS 7 HG2 LYS 7 -8.435 -1.409 8.253 52 HG3 LYS 7 HG3 LYS 7 -6.849 -1.314 8.993 53 HD2 LYS 7 HD2 LYS 7 -8.724 -1.703 11.128 54 HD3 LYS 7 HD3 LYS 7 -9.167 -2.831 9.862 55 HE2 LYS 7 HE2 LYS 7 -7.508 -4.169 10.666 56 HE3 LYS 7 HE3 LYS 7 -6.386 -3.060 9.903 57 HZ1 LYS 7 HZ1 LYS 7 -7.083 -3.283 12.724 58 HZ2 LYS 7 HZ2 LYS 7 -5.655 -2.888 12.047 59 H ALA 8 HN ALA 8 -5.972 2.377 11.366 60 HA ALA 8 HA ALA 8 -4.311 0.345 12.309 61 HB1 ALA 8 HB1 ALA 8 -2.468 2.341 11.161 62 HB2 ALA 8 HB2 ALA 8 -2.351 0.565 11.198 63 HB3 ALA 8 HB3 ALA 8 -3.317 1.367 9.937 64 H LYS 9 HN LYS 9 -4.546 0.899 14.418 65 HA LYS 9 HA LYS 9 -4.985 3.575 15.209 66 HB2 LYS 9 HB2 LYS 9 -4.800 0.911 16.495 67 HB3 LYS 9 HB3 LYS 9 -4.387 2.271 17.520 68 HG2 LYS 9 HG2 LYS 9 -6.913 2.263 15.818 69 HG3 LYS 9 HG3 LYS 9 -6.885 1.561 17.424 70 HD2 LYS 9 HD2 LYS 9 -5.980 4.421 16.875 71 HD3 LYS 9 HD3 LYS 9 -7.641 4.020 17.263 72 HE2 LYS 9 HE2 LYS 9 -5.359 3.106 19.055 73 HE3 LYS 9 HE3 LYS 9 -6.040 4.712 19.218 74 HZ1 LYS 9 HZ1 LYS 9 -8.144 2.831 19.092 75 HZ2 LYS 9 HZ2 LYS 9 -7.091 2.343 20.235 76 H ASN 10 HN ASN 10 -2.184 1.920 14.219 77 HA ASN 10 HA ASN 10 -0.438 3.256 16.043 78 HB2 ASN 10 HB2 ASN 10 0.108 1.613 13.514 79 HB3 ASN 10 HB3 ASN 10 1.363 2.207 14.584 80 HD21 ASN 10 HD21 ASN 10 1.942 1.053 16.280 81 HD22 ASN 10 HD22 ASN 10 1.128 -0.342 16.907 82 H GLY 11 HN GLY 11 -2.289 4.246 13.460 83 HA2 GLY 11 HA1 GLY 11 -1.889 6.606 12.858 84 HA3 GLY 11 HA2 GLY 11 -0.242 6.145 12.475 85 H ASP 12 HN ASP 12 -3.369 6.607 11.215 86 HA ASP 12 HA ASP 12 -3.871 4.734 9.432 87 HB2 ASP 12 HB2 ASP 12 -4.150 7.683 9.493 88 HB3 ASP 12 HB3 ASP 12 -4.147 7.037 7.865 89 HD2 ASP 12 HD2 ASP 12 -5.880 4.824 10.047 90 H VAL 13 HN VAL 13 -3.375 4.618 6.985 91 HA VAL 13 HA VAL 13 -0.667 5.586 6.402 92 HB VAL 13 HB VAL 13 -1.761 2.861 5.684 93 HG11 VAL 13 HG11 VAL 13 0.592 4.399 4.887 94 HG12 VAL 13 HG12 VAL 13 1.018 2.814 5.576 95 HG13 VAL 13 HG13 VAL 13 -0.094 2.913 4.189 96 HG21 VAL 13 HG21 VAL 13 -1.408 3.179 8.155 97 HG22 VAL 13 HG22 VAL 13 -0.401 1.911 7.416 98 HG23 VAL 13 HG23 VAL 13 0.309 3.495 7.809 99 H LYS 14 HN LYS 14 -1.521 7.344 5.199 100 HA LYS 14 HA LYS 14 -3.572 7.081 3.332 101 HB2 LYS 14 HB2 LYS 14 -3.058 9.244 4.103 102 HB3 LYS 14 HB3 LYS 14 -1.350 9.076 3.751 103 HG2 LYS 14 HG2 LYS 14 -2.515 8.639 1.252 104 HG3 LYS 14 HG3 LYS 14 -3.577 9.845 1.951 105 HD2 LYS 14 HD2 LYS 14 -2.042 11.461 1.551 106 HD3 LYS 14 HD3 LYS 14 -0.878 10.633 2.566 107 HE2 LYS 14 HE2 LYS 14 -0.368 9.118 0.541 108 HE3 LYS 14 HE3 LYS 14 -1.336 10.217 -0.422 109 HZ1 LYS 14 HZ1 LYS 14 0.303 11.932 0.837 110 HZ2 LYS 14 HZ2 LYS 14 1.296 10.647 0.712 111 H LEU 15 HN LEU 15 -3.631 5.799 1.572 112 HA LEU 15 HA LEU 15 -1.076 5.297 0.220 113 HB2 LEU 15 HB2 LEU 15 -1.836 3.244 0.922 114 HB3 LEU 15 HB3 LEU 15 -3.524 3.655 0.693 115 HG LEU 15 HG LEU 15 -2.757 3.738 -1.875 116 HD11 LEU 15 HD11 LEU 15 -1.176 1.353 -1.302 117 HD12 LEU 15 HD12 LEU 15 -0.856 2.707 -2.413 118 HD13 LEU 15 HD13 LEU 15 -0.418 2.844 -0.693 119 HD21 LEU 15 HD21 LEU 15 -3.166 0.960 -1.011 120 HD22 LEU 15 HD22 LEU 15 -4.331 2.118 -0.324 121 HD23 LEU 15 HD23 LEU 15 -4.138 1.990 -2.089 122 HA PRO 16 HA PRO 16 -2.784 8.240 -2.687 123 HB2 PRO 16 HB2 PRO 16 -0.170 7.569 -4.014 124 HB3 PRO 16 HB3 PRO 16 -0.860 9.150 -3.524 125 HG2 PRO 16 HG2 PRO 16 1.213 8.052 -2.024 126 HG3 PRO 16 HG3 PRO 16 -0.232 9.014 -1.571 127 HD2 PRO 16 HD2 PRO 16 0.199 5.974 -1.480 128 HD3 PRO 16 HD3 PRO 16 -0.374 7.053 -0.172 129 H HIS 17 HN HIS 17 -4.253 6.085 -2.991 130 HA HIS 17 HA HIS 17 -3.654 4.113 -4.708 131 HB2 HIS 17 HB2 HIS 17 -5.798 4.530 -3.433 132 HB3 HIS 17 HB3 HIS 17 -6.289 5.603 -4.729 133 HD1 HIS 17 HD1 HIS 17 -7.544 4.538 -6.618 134 HD2 HIS 17 HD2 HIS 17 -5.274 1.755 -4.452 135 HE1 HIS 17 HE1 HIS 17 -8.116 2.245 -7.581 136 H LYS 18 HN LYS 18 -4.750 7.449 -5.591 137 HA LYS 18 HA LYS 18 -4.819 7.037 -8.334 138 HB2 LYS 18 HB2 LYS 18 -5.797 8.965 -7.098 139 HB3 LYS 18 HB3 LYS 18 -4.183 9.595 -6.833 140 HG2 LYS 18 HG2 LYS 18 -4.945 10.738 -8.778 141 HG3 LYS 18 HG3 LYS 18 -3.871 9.501 -9.399 142 HD2 LYS 18 HD2 LYS 18 -5.707 9.185 -10.801 143 HD3 LYS 18 HD3 LYS 18 -6.090 8.038 -9.533 144 HE2 LYS 18 HE2 LYS 18 -8.113 9.259 -9.840 145 HE3 LYS 18 HE3 LYS 18 -7.412 9.955 -8.393 146 HZ1 LYS 18 HZ1 LYS 18 -6.474 11.738 -9.805 147 HZ2 LYS 18 HZ2 LYS 18 -7.190 11.105 -11.124 148 H ALA 19 HN ALA 19 -2.144 8.298 -6.230 149 HA ALA 19 HA ALA 19 -0.296 8.616 -8.277 150 HB1 ALA 19 HB1 ALA 19 0.864 7.765 -5.729 151 HB2 ALA 19 HB2 ALA 19 0.964 9.339 -6.554 152 HB3 ALA 19 HB3 ALA 19 -0.426 8.970 -5.506 153 H HIS 20 HN HIS 20 -1.000 5.788 -6.126 154 HA HIS 20 HA HIS 20 1.014 4.191 -7.269 155 HB2 HIS 20 HB2 HIS 20 -1.375 3.680 -5.513 156 HB3 HIS 20 HB3 HIS 20 -0.461 2.337 -6.170 157 HD1 HIS 20 HD1 HIS 20 -0.099 5.298 -3.826 158 HD2 HIS 20 HD2 HIS 20 2.007 1.850 -4.954 159 HE1 HIS 20 HE1 HIS 20 1.823 5.059 -2.165 160 H GLN 21 HN GLN 21 -2.148 5.198 -8.317 161 HA GLN 21 HA GLN 21 -2.644 2.916 -9.917 162 HB2 GLN 21 HB2 GLN 21 -3.924 5.574 -9.433 163 HB3 GLN 21 HB3 GLN 21 -4.255 4.844 -10.991 164 HG2 GLN 21 HG2 GLN 21 -4.972 2.732 -9.836 165 HG3 GLN 21 HG3 GLN 21 -4.668 3.488 -8.284 166 HE21 GLN 21 HE21 GLN 21 -7.130 2.426 -9.424 167 HE22 GLN 21 HE22 GLN 21 -8.300 3.704 -9.417 168 H LYS 22 HN LYS 22 -0.773 5.871 -10.220 169 HA LYS 22 HA LYS 22 -0.533 5.425 -13.108 170 HB2 LYS 22 HB2 LYS 22 -0.414 7.832 -11.358 171 HB3 LYS 22 HB3 LYS 22 0.685 7.798 -12.722 172 HG2 LYS 22 HG2 LYS 22 -2.299 7.212 -12.986 173 HG3 LYS 22 HG3 LYS 22 -1.626 8.819 -13.176 174 HD2 LYS 22 HD2 LYS 22 -0.023 7.744 -14.935 175 HD3 LYS 22 HD3 LYS 22 -1.099 6.361 -14.892 176 HE2 LYS 22 HE2 LYS 22 -3.030 8.021 -15.355 177 HE3 LYS 22 HE3 LYS 22 -1.797 9.219 -15.692 178 HZ1 LYS 22 HZ1 LYS 22 -1.987 8.324 -17.769 179 HZ2 LYS 22 HZ2 LYS 22 -0.930 7.215 -17.217 180 H ALA 23 HN ALA 23 1.162 5.488 -9.981 181 HA ALA 23 HA ALA 23 3.768 5.400 -11.083 182 HB1 ALA 23 HB1 ALA 23 4.436 4.909 -8.798 183 HB2 ALA 23 HB2 ALA 23 3.158 6.147 -8.767 184 HB3 ALA 23 HB3 ALA 23 2.770 4.457 -8.366 185 H VAL 24 HN VAL 24 1.202 3.037 -10.476 186 HA VAL 24 HA VAL 24 3.058 0.946 -11.384 187 HB VAL 24 HB VAL 24 0.871 0.874 -9.311 188 HG11 VAL 24 HG11 VAL 24 0.316 -1.166 -10.063 189 HG12 VAL 24 HG12 VAL 24 1.730 -1.249 -11.141 190 HG13 VAL 24 HG13 VAL 24 1.891 -1.695 -9.425 191 HG21 VAL 24 HG21 VAL 24 3.307 -0.513 -8.637 192 HG22 VAL 24 HG22 VAL 24 3.684 1.139 -9.182 193 HG23 VAL 24 HG23 VAL 24 2.545 0.884 -7.838 194 HA PRO 25 HA PRO 25 -0.107 1.563 -14.623 195 HB2 PRO 25 HB2 PRO 25 2.146 0.561 -16.306 196 HB3 PRO 25 HB3 PRO 25 1.197 2.080 -16.414 197 HG2 PRO 25 HG2 PRO 25 3.849 2.142 -15.540 198 HG3 PRO 25 HG3 PRO 25 2.485 3.201 -15.056 199 HD2 PRO 25 HD2 PRO 25 3.596 0.688 -13.693 200 HD3 PRO 25 HD3 PRO 25 3.236 2.283 -12.966 201 H ASP 26 HN ASP 26 -0.518 -0.572 -12.953 202 HA ASP 26 HA ASP 26 -1.174 -2.578 -14.766 203 HB2 ASP 26 HB2 ASP 26 1.473 -2.770 -13.649 204 HB3 ASP 26 HB3 ASP 26 0.502 -4.016 -12.889 205 HD2 ASP 26 HD2 ASP 26 2.547 -4.705 -14.566 206 H CYS 27 HN CYS 27 -3.215 -2.223 -13.640 207 HA CYS 27 HA CYS 27 -3.344 -2.391 -10.813 208 HB2 CYS 27 HB2 CYS 27 -5.759 -2.793 -12.519 209 HB3 CYS 27 HB3 CYS 27 -5.579 -1.911 -11.016 210 H LYS 28 HN LYS 28 -1.938 -4.564 -11.161 211 HA LYS 28 HA LYS 28 -3.854 -6.725 -10.826 212 HB2 LYS 28 HB2 LYS 28 -2.594 -8.213 -12.327 213 HB3 LYS 28 HB3 LYS 28 -3.325 -6.870 -13.183 214 HG2 LYS 28 HG2 LYS 28 -1.158 -5.652 -13.174 215 HG3 LYS 28 HG3 LYS 28 -0.415 -6.944 -12.252 216 HD2 LYS 28 HD2 LYS 28 0.191 -7.338 -14.545 217 HD3 LYS 28 HD3 LYS 28 -1.024 -8.539 -14.157 218 HE2 LYS 28 HE2 LYS 28 -2.686 -6.606 -15.059 219 HE3 LYS 28 HE3 LYS 28 -1.247 -6.114 -15.930 220 HZ1 LYS 28 HZ1 LYS 28 -2.614 -7.755 -17.160 221 HZ2 LYS 28 HZ2 LYS 28 -1.106 -8.313 -16.905 222 H LYS 29 HN LYS 29 -0.396 -5.652 -10.811 223 HA LYS 29 HA LYS 29 0.506 -7.640 -9.084 224 HB2 LYS 29 HB2 LYS 29 2.114 -6.445 -10.315 225 HB3 LYS 29 HB3 LYS 29 1.488 -4.886 -9.818 226 HG2 LYS 29 HG2 LYS 29 3.484 -5.238 -8.524 227 HG3 LYS 29 HG3 LYS 29 2.147 -5.481 -7.419 228 HD2 LYS 29 HD2 LYS 29 2.683 -7.671 -7.079 229 HD3 LYS 29 HD3 LYS 29 2.865 -7.979 -8.795 230 HE2 LYS 29 HE2 LYS 29 5.006 -6.362 -7.405 231 HE3 LYS 29 HE3 LYS 29 4.965 -8.092 -7.127 232 HZ1 LYS 29 HZ1 LYS 29 6.330 -7.690 -9.035 233 HZ2 LYS 29 HZ2 LYS 29 4.957 -8.346 -9.615 234 H CYS 30 HN CYS 30 -1.651 -4.995 -8.557 235 HA CYS 30 HA CYS 30 -1.130 -5.146 -5.680 236 HB2 CYS 30 HB2 CYS 30 -1.811 -2.924 -7.469 237 HB3 CYS 30 HB3 CYS 30 -2.871 -3.014 -6.076 238 H HIS 31 HN HIS 31 -3.441 -5.564 -8.359 239 HA HIS 31 HA HIS 31 -5.418 -6.488 -6.403 240 HB2 HIS 31 HB2 HIS 31 -5.751 -5.208 -9.120 241 HB3 HIS 31 HB3 HIS 31 -7.048 -6.091 -8.340 242 HD1 HIS 31 HD1 HIS 31 -7.591 -5.142 -5.750 243 HD2 HIS 31 HD2 HIS 31 -5.708 -2.557 -8.464 244 HE1 HIS 31 HE1 HIS 31 -7.947 -2.781 -4.852 245 H GLU 32 HN GLU 32 -5.630 -8.661 -6.298 246 HA GLU 32 HA GLU 32 -4.355 -10.267 -8.235 247 HB2 GLU 32 HB2 GLU 32 -5.978 -10.762 -5.739 248 HB3 GLU 32 HB3 GLU 32 -5.682 -12.104 -6.826 249 HG2 GLU 32 HG2 GLU 32 -3.589 -12.336 -5.994 250 HG3 GLU 32 HG3 GLU 32 -3.187 -10.713 -6.520 251 HE2 GLU 32 HE2 GLU 32 -2.865 -9.361 -3.824 252 H LYS 33 HN LYS 33 -7.524 -11.367 -7.129 253 HA LYS 33 HA LYS 33 -8.391 -12.229 -9.552 254 HB2 LYS 33 HB2 LYS 33 -9.898 -11.319 -7.096 255 HB3 LYS 33 HB3 LYS 33 -10.722 -11.979 -8.495 256 HG2 LYS 33 HG2 LYS 33 -10.361 -13.970 -7.386 257 HG3 LYS 33 HG3 LYS 33 -8.828 -13.894 -8.232 258 HD2 LYS 33 HD2 LYS 33 -7.628 -13.328 -6.319 259 HD3 LYS 33 HD3 LYS 33 -8.968 -12.458 -5.599 260 HE2 LYS 33 HE2 LYS 33 -9.652 -15.286 -5.890 261 HE3 LYS 33 HE3 LYS 33 -8.136 -15.120 -5.027 262 HZ1 LYS 33 HZ1 LYS 33 -9.593 -13.235 -3.818 263 HZ2 LYS 33 HZ2 LYS 33 -10.791 -14.268 -4.206 264 H GLY 34 HN GLY 34 -8.204 -8.932 -8.352 265 HA2 GLY 34 HA1 GLY 34 -8.265 -7.531 -10.566 266 HA3 GLY 34 HA2 GLY 34 -9.966 -7.943 -10.472 267 HA PRO 35 HA PRO 35 -8.914 -3.895 -8.216 268 HB2 PRO 35 HB2 PRO 35 -11.281 -2.765 -9.279 269 HB3 PRO 35 HB3 PRO 35 -9.626 -2.582 -9.947 270 HG2 PRO 35 HG2 PRO 35 -11.651 -4.425 -10.413 271 HG3 PRO 35 HG3 PRO 35 -10.984 -3.898 -11.993 272 HD2 PRO 35 HD2 PRO 35 -10.033 -6.140 -11.365 273 HD3 PRO 35 HD3 PRO 35 -8.752 -4.898 -11.219 274 H GLY 36 HN GLY 36 -9.522 -4.045 -6.058 275 HA2 GLY 36 HA1 GLY 36 -11.802 -3.694 -4.874 276 HA3 GLY 36 HA2 GLY 36 -12.109 -5.311 -5.475 277 H LYS 37 HN LYS 37 -12.295 -5.576 -2.972 278 HA LYS 37 HA LYS 37 -10.252 -5.394 -1.223 279 HB2 LYS 37 HB2 LYS 37 -12.488 -7.383 -1.532 280 HB3 LYS 37 HB3 LYS 37 -11.312 -7.581 -0.248 281 HG2 LYS 37 HG2 LYS 37 -13.270 -6.262 0.526 282 HG3 LYS 37 HG3 LYS 37 -11.798 -5.314 0.607 283 HD2 LYS 37 HD2 LYS 37 -12.354 -4.180 -1.512 284 HD3 LYS 37 HD3 LYS 37 -13.755 -5.208 -1.737 285 HE2 LYS 37 HE2 LYS 37 -13.889 -3.978 0.897 286 HE3 LYS 37 HE3 LYS 37 -13.613 -2.733 -0.305 287 HZ1 LYS 37 HZ1 LYS 37 -16.030 -3.745 0.219 288 HZ2 LYS 37 HZ2 LYS 37 -15.652 -3.092 -1.224 289 H ILE 38 HN ILE 38 -8.593 -6.864 -0.432 290 HA ILE 38 HA ILE 38 -7.654 -8.663 -2.558 291 HB ILE 38 HB ILE 38 -5.983 -7.034 -0.640 292 HG12 ILE 38 HG12 ILE 38 -6.319 -6.575 -3.612 293 HG13 ILE 38 HG13 ILE 38 -7.271 -5.728 -2.408 294 HG21 ILE 38 HG21 ILE 38 -4.374 -7.816 -2.726 295 HG22 ILE 38 HG22 ILE 38 -4.448 -8.585 -1.122 296 HG23 ILE 38 HG23 ILE 38 -5.400 -9.249 -2.472 297 HD11 ILE 38 HD11 ILE 38 -4.713 -5.418 -1.392 298 HD12 ILE 38 HD12 ILE 38 -4.424 -5.378 -3.148 299 HD13 ILE 38 HD13 ILE 38 -5.556 -4.222 -2.406 300 H GLU 39 HN GLU 39 -7.170 -10.755 -1.992 301 HA GLU 39 HA GLU 39 -7.868 -11.442 0.721 302 HB2 GLU 39 HB2 GLU 39 -7.875 -13.788 -0.153 303 HB3 GLU 39 HB3 GLU 39 -8.955 -12.729 -1.038 304 HG2 GLU 39 HG2 GLU 39 -7.840 -13.111 -2.976 305 HG3 GLU 39 HG3 GLU 39 -6.322 -12.611 -2.257 306 HE2 GLU 39 HE2 GLU 39 -6.448 -14.934 -3.977 307 H GLY 40 HN GLY 40 -6.381 -12.006 2.269 308 HA2 GLY 40 HA1 GLY 40 -4.403 -13.245 2.832 309 HA3 GLY 40 HA2 GLY 40 -3.657 -12.689 1.347 310 H PHE 41 HN PHE 41 -4.269 -9.948 1.310 311 HA PHE 41 HA PHE 41 -2.324 -8.941 3.028 312 HB2 PHE 41 HB2 PHE 41 -3.200 -7.998 0.816 313 HB3 PHE 41 HB3 PHE 41 -4.703 -7.589 1.618 314 HD1 PHE 41 HD1 PHE 41 -4.385 -6.085 3.799 315 HD2 PHE 41 HD2 PHE 41 -1.612 -6.341 0.597 316 HE1 PHE 41 HE1 PHE 41 -3.434 -3.853 4.444 317 HE2 PHE 41 HE2 PHE 41 -0.661 -4.110 1.241 318 HZ PHE 41 HZ PHE 41 -1.583 -2.892 3.157 319 H GLY 42 HN GLY 42 -2.402 -7.791 4.980 320 HA2 GLY 42 HA1 GLY 42 -4.825 -6.924 6.173 321 HA3 GLY 42 HA2 GLY 42 -4.342 -8.470 6.841 322 H LYS 43 HN LYS 43 -1.442 -8.110 6.545 323 HA LYS 43 HA LYS 43 -0.733 -5.693 7.880 324 HB2 LYS 43 HB2 LYS 43 -1.757 -6.933 9.756 325 HB3 LYS 43 HB3 LYS 43 -0.653 -8.265 9.484 326 HG2 LYS 43 HG2 LYS 43 0.643 -5.586 9.746 327 HG3 LYS 43 HG3 LYS 43 -0.153 -6.168 11.195 328 HD2 LYS 43 HD2 LYS 43 1.115 -8.419 10.742 329 HD3 LYS 43 HD3 LYS 43 2.106 -7.483 9.641 330 HE2 LYS 43 HE2 LYS 43 2.960 -6.095 11.381 331 HE3 LYS 43 HE3 LYS 43 1.651 -6.494 12.475 332 HZ1 LYS 43 HZ1 LYS 43 4.007 -8.109 11.800 333 HZ2 LYS 43 HZ2 LYS 43 3.337 -7.844 13.260 334 H GLU 44 HN GLU 44 0.715 -8.960 8.297 335 HA GLU 44 HA GLU 44 3.216 -8.356 7.747 336 HB2 GLU 44 HB2 GLU 44 2.876 -10.588 8.335 337 HB3 GLU 44 HB3 GLU 44 1.574 -10.812 7.184 338 HG2 GLU 44 HG2 GLU 44 3.509 -12.043 6.372 339 HG3 GLU 44 HG3 GLU 44 3.254 -10.677 5.304 340 HE2 GLU 44 HE2 GLU 44 5.402 -12.217 7.150 341 H MET 45 HN MET 45 0.642 -8.899 5.286 342 HA MET 45 HA MET 45 2.178 -8.969 3.049 343 HB2 MET 45 HB2 MET 45 -0.609 -8.114 3.771 344 HB3 MET 45 HB3 MET 45 -0.039 -7.525 2.223 345 HG2 MET 45 HG2 MET 45 -1.005 -9.603 1.648 346 HG3 MET 45 HG3 MET 45 0.696 -10.005 1.777 347 HE1 MET 45 HE1 MET 45 0.325 -13.075 3.700 348 HE2 MET 45 HE2 MET 45 0.629 -12.292 2.130 349 HE3 MET 45 HE3 MET 45 1.613 -11.856 3.548 350 H ALA 46 HN ALA 46 0.753 -6.029 4.645 351 HA ALA 46 HA ALA 46 1.847 -4.194 2.852 352 HB1 ALA 46 HB1 ALA 46 1.315 -2.555 4.617 353 HB2 ALA 46 HB2 ALA 46 -0.008 -3.728 4.418 354 HB3 ALA 46 HB3 ALA 46 1.114 -3.878 5.792 355 H HIS 47 HN HIS 47 3.047 -5.489 6.016 356 HA HIS 47 HA HIS 47 5.429 -3.950 5.863 357 HB2 HIS 47 HB2 HIS 47 4.741 -6.335 7.603 358 HB3 HIS 47 HB3 HIS 47 6.103 -5.258 7.834 359 HD1 HIS 47 HD1 HIS 47 3.144 -5.834 9.459 360 HD2 HIS 47 HD2 HIS 47 4.704 -2.343 7.735 361 HE1 HIS 47 HE1 HIS 47 1.953 -3.883 10.594 362 H GLY 48 HN GLY 48 4.362 -6.391 3.926 363 HA2 GLY 48 HA1 GLY 48 7.113 -7.241 3.334 364 HA3 GLY 48 HA2 GLY 48 5.889 -8.461 3.622 365 H LYS 49 HN LYS 49 5.537 -9.349 1.603 366 HA LYS 49 HA LYS 49 5.585 -7.809 -0.756 367 HB2 LYS 49 HB2 LYS 49 4.829 -9.863 -1.837 368 HB3 LYS 49 HB3 LYS 49 6.140 -10.183 -0.720 369 HG2 LYS 49 HG2 LYS 49 4.254 -10.690 1.031 370 HG3 LYS 49 HG3 LYS 49 3.181 -10.771 -0.352 371 HD2 LYS 49 HD2 LYS 49 4.733 -12.489 -1.391 372 HD3 LYS 49 HD3 LYS 49 5.688 -12.463 0.078 373 HE2 LYS 49 HE2 LYS 49 3.336 -12.938 1.256 374 HE3 LYS 49 HE3 LYS 49 2.877 -13.506 -0.337 375 HZ1 LYS 49 HZ1 LYS 49 4.337 -14.914 1.539 376 HZ2 LYS 49 HZ2 LYS 49 4.071 -15.366 -0.003 377 H GLY 50 HN GLY 50 4.147 -6.038 0.205 378 HA2 GLY 50 HA1 GLY 50 1.469 -6.440 -0.838 379 HA3 GLY 50 HA2 GLY 50 1.561 -6.158 0.889 380 H CYS 51 HN CYS 51 3.705 -4.346 1.114 381 HA CYS 51 HA CYS 51 3.008 -2.165 -0.682 382 HB2 CYS 51 HB2 CYS 51 3.032 -1.845 2.325 383 HB3 CYS 51 HB3 CYS 51 2.747 -0.587 1.138 384 H LYS 52 HN LYS 52 4.978 -3.228 2.190 385 HA LYS 52 HA LYS 52 7.137 -1.516 1.568 386 HB2 LYS 52 HB2 LYS 52 6.343 -3.187 3.698 387 HB3 LYS 52 HB3 LYS 52 7.889 -3.813 3.161 388 HG2 LYS 52 HG2 LYS 52 7.582 -0.822 3.461 389 HG3 LYS 52 HG3 LYS 52 7.741 -1.790 4.913 390 HD2 LYS 52 HD2 LYS 52 9.683 -2.159 2.607 391 HD3 LYS 52 HD3 LYS 52 9.912 -0.853 3.753 392 HE2 LYS 52 HE2 LYS 52 10.907 -2.315 5.173 393 HE3 LYS 52 HE3 LYS 52 9.380 -3.159 5.338 394 HZ1 LYS 52 HZ1 LYS 52 10.953 -4.729 4.526 395 HZ2 LYS 52 HZ2 LYS 52 10.024 -4.380 3.235 396 H GLY 53 HN GLY 53 6.516 -5.049 1.053 397 HA2 GLY 53 HA1 GLY 53 8.792 -5.968 0.019 398 HA3 GLY 53 HA2 GLY 53 7.227 -6.354 -0.669 399 H CYS 54 HN CYS 54 6.393 -3.963 -1.839 400 HA CYS 54 HA CYS 54 8.029 -3.942 -4.149 401 HB2 CYS 54 HB2 CYS 54 5.535 -3.706 -4.168 402 HB3 CYS 54 HB3 CYS 54 5.707 -2.112 -3.459 403 H HIS 55 HN HIS 55 7.371 -1.747 -1.362 404 HA HIS 55 HA HIS 55 8.783 0.444 -2.304 405 HB2 HIS 55 HB2 HIS 55 8.223 -0.506 0.517 406 HB3 HIS 55 HB3 HIS 55 8.923 1.055 0.136 407 HD1 HIS 55 HD1 HIS 55 6.184 0.832 1.585 408 HD2 HIS 55 HD2 HIS 55 6.638 1.261 -2.563 409 HE1 HIS 55 HE1 HIS 55 3.997 1.825 0.726 410 H GLU 56 HN GLU 56 9.831 -2.393 -0.317 411 HA GLU 56 HA GLU 56 12.493 -1.421 -0.204 412 HB2 GLU 56 HB2 GLU 56 12.871 -3.860 0.677 413 HB3 GLU 56 HB3 GLU 56 11.933 -2.743 1.648 414 HG2 GLU 56 HG2 GLU 56 9.974 -3.904 1.339 415 HG3 GLU 56 HG3 GLU 56 10.316 -4.237 -0.347 416 HE2 GLU 56 HE2 GLU 56 12.601 -6.172 2.137 417 H GLU 57 HN GLU 57 10.571 -3.418 -2.384 418 HA GLU 57 HA GLU 57 12.816 -4.685 -3.563 419 HB2 GLU 57 HB2 GLU 57 10.680 -5.819 -3.635 420 HB3 GLU 57 HB3 GLU 57 9.891 -4.436 -4.366 421 HG2 GLU 57 HG2 GLU 57 11.730 -4.783 -6.275 422 HG3 GLU 57 HG3 GLU 57 11.808 -6.408 -5.622 423 HE2 GLU 57 HE2 GLU 57 8.968 -7.305 -7.328 424 H MET 58 HN MET 58 10.757 -1.818 -4.253 425 HA MET 58 HA MET 58 12.249 -1.327 -6.668 426 HB2 MET 58 HB2 MET 58 9.904 0.063 -5.268 427 HB3 MET 58 HB3 MET 58 10.630 0.709 -6.727 428 HG2 MET 58 HG2 MET 58 10.227 -1.806 -7.616 429 HG3 MET 58 HG3 MET 58 8.995 -1.802 -6.370 430 HE1 MET 58 HE1 MET 58 9.383 -1.942 -9.474 431 HE2 MET 58 HE2 MET 58 7.916 -1.211 -10.166 432 HE3 MET 58 HE3 MET 58 9.470 -0.348 -10.262 433 H LYS 59 HN LYS 59 11.702 0.116 -3.404 434 HA LYS 59 HA LYS 59 13.067 1.372 -2.173 435 HB2 LYS 59 HB2 LYS 59 15.019 1.548 -4.479 436 HB3 LYS 59 HB3 LYS 59 15.334 1.833 -2.779 437 HG2 LYS 59 HG2 LYS 59 14.165 -0.842 -3.379 438 HG3 LYS 59 HG3 LYS 59 15.752 -0.575 -4.075 439 HD2 LYS 59 HD2 LYS 59 15.637 0.399 -1.306 440 HD3 LYS 59 HD3 LYS 59 15.174 -1.288 -1.399 441 HE2 LYS 59 HE2 LYS 59 17.391 -1.784 -1.474 442 HE3 LYS 59 HE3 LYS 59 17.397 -1.148 -3.106 443 HZ1 LYS 59 HZ1 LYS 59 18.171 0.921 -2.352 444 HZ2 LYS 59 HZ2 LYS 59 17.708 0.683 -0.809 445 H LYS 60 HN LYS 60 10.836 2.428 -3.281 446 HA LYS 60 HA LYS 60 11.744 5.129 -3.939 447 HB2 LYS 60 HB2 LYS 60 10.050 3.343 -5.595 448 HB3 LYS 60 HB3 LYS 60 9.469 4.985 -5.411 449 HG2 LYS 60 HG2 LYS 60 11.260 5.906 -6.558 450 HG3 LYS 60 HG3 LYS 60 12.396 4.706 -5.975 451 HD2 LYS 60 HD2 LYS 60 11.031 3.026 -7.488 452 HD3 LYS 60 HD3 LYS 60 10.421 4.471 -8.268 453 HE2 LYS 60 HE2 LYS 60 13.389 4.365 -7.861 454 HE3 LYS 60 HE3 LYS 60 12.736 3.218 -9.014 455 HZ1 LYS 60 HZ1 LYS 60 13.071 6.010 -9.341 456 HZ2 LYS 60 HZ2 LYS 60 12.634 4.913 -10.463 457 H GLY 61 HN GLY 61 9.081 2.936 -2.868 458 HA2 GLY 61 HA1 GLY 61 7.540 5.057 -1.724 459 HA3 GLY 61 HA2 GLY 61 7.297 3.332 -1.535 460 HA PRO 62 HA PRO 62 8.949 5.100 2.454 461 HB2 PRO 62 HB2 PRO 62 6.812 4.561 4.033 462 HB3 PRO 62 HB3 PRO 62 6.817 5.973 2.926 463 HG2 PRO 62 HG2 PRO 62 5.190 3.250 2.123 464 HG3 PRO 62 HG3 PRO 62 5.131 5.018 2.419 465 HD2 PRO 62 HD2 PRO 62 5.989 3.621 0.023 466 HD3 PRO 62 HD3 PRO 62 6.082 5.379 0.342 467 H THR 63 HN THR 63 10.101 3.765 3.907 468 HA THR 63 HA THR 63 9.219 0.986 4.122 469 HB THR 63 HB THR 63 11.836 0.518 3.811 470 HG1 THR 63 HG1 THR 63 12.793 2.372 3.078 471 HG21 THR 63 HG21 THR 63 11.212 -0.388 1.803 472 HG22 THR 63 HG22 THR 63 9.609 0.342 2.065 473 HG23 THR 63 HG23 THR 63 10.847 1.221 1.135 474 H LYS 64 HN LYS 64 9.029 3.324 5.896 475 HA LYS 64 HA LYS 64 10.576 2.165 8.087 476 HB2 LYS 64 HB2 LYS 64 11.074 4.731 6.883 477 HB3 LYS 64 HB3 LYS 64 10.478 4.972 8.512 478 HG2 LYS 64 HG2 LYS 64 12.681 2.963 7.877 479 HG3 LYS 64 HG3 LYS 64 13.029 4.642 8.241 480 HD2 LYS 64 HD2 LYS 64 12.760 4.296 10.469 481 HD3 LYS 64 HD3 LYS 64 11.181 3.576 10.228 482 HE2 LYS 64 HE2 LYS 64 12.450 1.429 9.486 483 HE3 LYS 64 HE3 LYS 64 13.889 2.184 10.142 484 HZ1 LYS 64 HZ1 LYS 64 11.430 1.461 11.626 485 HZ2 LYS 64 HZ2 LYS 64 12.942 0.920 11.893 486 H CYS 65 HN CYS 65 9.590 2.479 10.191 487 HA CYS 65 HA CYS 65 6.841 2.202 10.132 488 HB2 CYS 65 HB2 CYS 65 8.298 3.170 12.574 489 HB3 CYS 65 HB3 CYS 65 6.918 2.095 12.463 490 H GLY 66 HN GLY 66 9.002 5.034 10.506 491 HA2 GLY 66 HA1 GLY 66 6.743 6.806 11.057 492 HA3 GLY 66 HA2 GLY 66 8.448 7.208 11.089 493 H GLU 67 HN GLU 67 7.391 5.286 8.357 494 HA GLU 67 HA GLU 67 7.409 7.722 6.749 495 HB2 GLU 67 HB2 GLU 67 8.855 5.142 6.457 496 HB3 GLU 67 HB3 GLU 67 8.106 5.716 4.980 497 HG2 GLU 67 HG2 GLU 67 9.222 7.951 5.311 498 HG3 GLU 67 HG3 GLU 67 10.009 7.328 6.747 499 HE2 GLU 67 HE2 GLU 67 12.078 7.261 5.952 500 H CYS 68 HN CYS 68 5.451 5.355 8.015 501 HA CYS 68 HA CYS 68 3.652 5.553 5.718 502 HB2 CYS 68 HB2 CYS 68 4.740 3.119 6.918 503 HB3 CYS 68 HB3 CYS 68 2.988 3.136 6.948 504 H HIS 69 HN HIS 69 3.856 4.424 9.182 505 HA HIS 69 HA HIS 69 1.200 5.277 9.699 506 HB2 HIS 69 HB2 HIS 69 3.419 4.407 11.571 507 HB3 HIS 69 HB3 HIS 69 1.748 4.654 12.038 508 HD1 HIS 69 HD1 HIS 69 -0.049 3.037 10.689 509 HD2 HIS 69 HD2 HIS 69 3.979 1.866 10.700 510 HE1 HIS 69 HE1 HIS 69 -0.022 0.563 10.068 511 H LYS 70 HN LYS 70 0.734 7.433 9.598 512 HA LYS 70 HA LYS 70 2.214 9.148 11.409 513 HB2 LYS 70 HB2 LYS 70 3.494 9.503 9.431 514 HB3 LYS 70 HB3 LYS 70 2.064 9.604 8.423 515 HG2 LYS 70 HG2 LYS 70 1.439 11.611 10.101 516 HG3 LYS 70 HG3 LYS 70 3.173 11.640 10.355 517 HD2 LYS 70 HD2 LYS 70 1.885 11.726 7.588 518 HD3 LYS 70 HD3 LYS 70 2.322 13.164 8.489 519 HE2 LYS 70 HE2 LYS 70 4.684 11.788 8.658 520 HE3 LYS 70 HE3 LYS 70 4.091 11.162 7.132 521 HZ1 LYS 70 HZ1 LYS 70 5.030 13.815 7.737 522 HZ2 LYS 70 HZ2 LYS 70 4.932 13.069 6.293 523 H LYS 71 HN LYS 71 0.617 9.838 12.728 524 HA LYS 71 HA LYS 71 -2.076 9.797 12.032 525 HB2 LYS 71 HB2 LYS 71 -1.676 9.702 14.305 526 HB3 LYS 71 HB3 LYS 71 -0.452 10.955 14.266 527 HG2 LYS 71 HG2 LYS 71 -1.989 12.659 14.444 528 HG3 LYS 71 HG3 LYS 71 -3.147 11.868 13.394 529 HD2 LYS 71 HD2 LYS 71 -4.269 11.705 15.432 530 HD3 LYS 71 HD3 LYS 71 -3.414 10.175 15.430 531 HE2 LYS 71 HE2 LYS 71 -2.231 10.757 17.281 532 HE3 LYS 71 HE3 LYS 71 -1.676 12.238 16.525 533 HZ1 LYS 71 HZ1 LYS 71 -3.348 13.434 17.500 534 HZ2 LYS 71 HZ2 LYS 71 -4.448 12.235 17.433
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