NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
608428 | 2n91 | 25874 | 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 -0.000 14.918 -3.926 2 HA ALA 1 HA ALA 1 -0.522 15.055 -6.815 3 HB1 ALA 1 HB1 ALA 1 1.626 16.187 -5.017 4 HB2 ALA 1 HB2 ALA 1 1.954 15.905 -6.744 5 HB3 ALA 1 HB3 ALA 1 0.645 17.008 -6.255 6 H ASP 2 HN ASP 2 2.678 14.363 -5.539 7 HA ASP 2 HA ASP 2 3.092 12.186 -7.046 8 HB2 ASP 2 HB2 ASP 2 4.161 12.603 -4.214 9 HB3 ASP 2 HB3 ASP 2 4.902 11.596 -5.443 10 HD2 ASP 2 HD2 ASP 2 5.691 14.730 -4.284 11 H ASP 3 HN ASP 3 1.184 12.510 -4.102 12 HA ASP 3 HA ASP 3 1.315 9.984 -3.078 13 HB2 ASP 3 HB2 ASP 3 0.063 12.134 -2.259 14 HB3 ASP 3 HB3 ASP 3 -1.272 11.577 -3.248 15 HD2 ASP 3 HD2 ASP 3 -2.765 10.460 -1.694 16 H ILE 4 HN ILE 4 -1.117 8.694 -3.085 17 HA ILE 4 HA ILE 4 -2.168 8.530 -5.758 18 HB ILE 4 HB ILE 4 -0.513 6.312 -4.568 19 HG12 ILE 4 HG12 ILE 4 -0.334 8.033 -7.030 20 HG13 ILE 4 HG13 ILE 4 0.888 7.706 -5.817 21 HG21 ILE 4 HG21 ILE 4 -2.961 5.962 -5.857 22 HG22 ILE 4 HG22 ILE 4 -1.741 5.682 -7.122 23 HG23 ILE 4 HG23 ILE 4 -1.689 4.741 -5.612 24 HD11 ILE 4 HD11 ILE 4 0.032 6.035 -8.153 25 HD12 ILE 4 HD12 ILE 4 1.653 6.269 -7.456 26 HD13 ILE 4 HD13 ILE 4 0.497 5.166 -6.671 27 H VAL 5 HN VAL 5 -4.312 8.003 -5.680 28 HA VAL 5 HA VAL 5 -5.268 6.996 -3.089 29 HB VAL 5 HB VAL 5 -6.759 8.715 -5.077 30 HG11 VAL 5 HG11 VAL 5 -7.669 8.902 -2.352 31 HG12 VAL 5 HG12 VAL 5 -8.552 8.362 -3.801 32 HG13 VAL 5 HG13 VAL 5 -7.610 7.192 -2.844 33 HG21 VAL 5 HG21 VAL 5 -5.404 10.379 -4.403 34 HG22 VAL 5 HG22 VAL 5 -6.322 10.308 -2.880 35 HG23 VAL 5 HG23 VAL 5 -4.774 9.441 -3.027 36 H PHE 6 HN PHE 6 -6.592 5.194 -3.075 37 HA PHE 6 HA PHE 6 -7.117 4.040 -5.724 38 HB2 PHE 6 HB2 PHE 6 -6.477 2.849 -2.963 39 HB3 PHE 6 HB3 PHE 6 -7.034 1.857 -4.296 40 HD1 PHE 6 HD1 PHE 6 -5.600 1.528 -6.280 41 HD2 PHE 6 HD2 PHE 6 -4.222 3.665 -2.882 42 HE1 PHE 6 HE1 PHE 6 -3.234 1.278 -7.082 43 HE2 PHE 6 HE2 PHE 6 -1.857 3.415 -3.684 44 HZ PHE 6 HZ PHE 6 -1.391 2.224 -5.774 45 H LYS 7 HN LYS 7 -9.251 4.514 -6.145 46 HA LYS 7 HA LYS 7 -11.218 4.989 -4.321 47 HB2 LYS 7 HB2 LYS 7 -11.138 4.105 -7.168 48 HB3 LYS 7 HB3 LYS 7 -12.669 3.952 -6.330 49 HG2 LYS 7 HG2 LYS 7 -11.432 6.529 -5.708 50 HG3 LYS 7 HG3 LYS 7 -11.548 6.316 -7.444 51 HD2 LYS 7 HD2 LYS 7 -13.852 6.384 -7.442 52 HD3 LYS 7 HD3 LYS 7 -13.985 5.493 -5.938 53 HE2 LYS 7 HE2 LYS 7 -12.747 8.068 -5.401 54 HE3 LYS 7 HE3 LYS 7 -14.212 8.324 -6.326 55 HZ1 LYS 7 HZ1 LYS 7 -15.408 6.955 -4.683 56 HZ2 LYS 7 HZ2 LYS 7 -14.045 6.738 -3.819 57 H ALA 8 HN ALA 8 -12.179 3.816 -2.755 58 HA ALA 8 HA ALA 8 -12.203 0.899 -3.122 59 HB1 ALA 8 HB1 ALA 8 -10.902 0.764 -1.294 60 HB2 ALA 8 HB2 ALA 8 -10.979 2.526 -1.052 61 HB3 ALA 8 HB3 ALA 8 -12.236 1.476 -0.355 62 H LYS 9 HN LYS 9 -14.064 -0.202 -2.213 63 HA LYS 9 HA LYS 9 -16.403 1.497 -2.293 64 HB2 LYS 9 HB2 LYS 9 -16.316 -1.507 -1.960 65 HB3 LYS 9 HB3 LYS 9 -17.644 -0.520 -2.535 66 HG2 LYS 9 HG2 LYS 9 -15.754 0.225 -4.347 67 HG3 LYS 9 HG3 LYS 9 -15.150 -1.377 -3.971 68 HD2 LYS 9 HD2 LYS 9 -16.872 -2.415 -5.059 69 HD3 LYS 9 HD3 LYS 9 -18.077 -1.349 -4.364 70 HE2 LYS 9 HE2 LYS 9 -18.202 -0.178 -6.302 71 HE3 LYS 9 HE3 LYS 9 -16.497 0.215 -6.201 72 HZ1 LYS 9 HZ1 LYS 9 -17.743 -1.641 -7.926 73 HZ2 LYS 9 HZ2 LYS 9 -16.183 -1.172 -7.921 74 H ASN 10 HN ASN 10 -14.233 1.233 -0.001 75 HA ASN 10 HA ASN 10 -16.264 1.232 2.057 76 HB2 ASN 10 HB2 ASN 10 -14.480 -0.934 1.727 77 HB3 ASN 10 HB3 ASN 10 -13.729 0.024 2.987 78 HD21 ASN 10 HD21 ASN 10 -15.116 -2.605 2.980 79 HD22 ASN 10 HD22 ASN 10 -16.339 -2.517 4.204 80 H GLY 11 HN GLY 11 -14.434 3.155 0.468 81 HA2 GLY 11 HA1 GLY 11 -13.842 5.266 1.459 82 HA3 GLY 11 HA2 GLY 11 -13.126 4.404 2.806 83 H ASP 12 HN ASP 12 -12.168 6.292 0.423 84 HA ASP 12 HA ASP 12 -10.506 4.969 -1.228 85 HB2 ASP 12 HB2 ASP 12 -10.760 7.672 -0.153 86 HB3 ASP 12 HB3 ASP 12 -9.066 7.277 -0.361 87 HD2 ASP 12 HD2 ASP 12 -10.358 9.174 -1.749 88 H VAL 13 HN VAL 13 -8.184 4.414 -1.116 89 HA VAL 13 HA VAL 13 -7.212 4.143 1.645 90 HB VAL 13 HB VAL 13 -7.181 2.281 -0.704 91 HG11 VAL 13 HG11 VAL 13 -4.961 2.742 1.155 92 HG12 VAL 13 HG12 VAL 13 -5.534 1.057 1.155 93 HG13 VAL 13 HG13 VAL 13 -5.011 1.820 -0.366 94 HG21 VAL 13 HG21 VAL 13 -7.514 1.550 2.199 95 HG22 VAL 13 HG22 VAL 13 -8.861 2.275 1.290 96 HG23 VAL 13 HG23 VAL 13 -8.147 0.738 0.747 97 H LYS 14 HN LYS 14 -6.021 6.072 1.710 98 HA LYS 14 HA LYS 14 -4.400 6.907 -0.437 99 HB2 LYS 14 HB2 LYS 14 -5.164 7.841 2.184 100 HB3 LYS 14 HB3 LYS 14 -3.432 8.012 1.985 101 HG2 LYS 14 HG2 LYS 14 -4.011 9.021 -0.369 102 HG3 LYS 14 HG3 LYS 14 -5.641 9.179 0.255 103 HD2 LYS 14 HD2 LYS 14 -4.885 10.607 2.087 104 HD3 LYS 14 HD3 LYS 14 -3.202 10.291 1.714 105 HE2 LYS 14 HE2 LYS 14 -3.203 12.083 0.325 106 HE3 LYS 14 HE3 LYS 14 -4.345 11.252 -0.712 107 HZ1 LYS 14 HZ1 LYS 14 -4.881 13.282 1.320 108 HZ2 LYS 14 HZ2 LYS 14 -5.593 13.070 -0.129 109 H PHE 15 HN PHE 15 -2.190 6.659 -0.839 110 HA PHE 15 HA PHE 15 -0.695 4.999 1.019 111 HB2 PHE 15 HB2 PHE 15 -1.857 3.536 -0.727 112 HB3 PHE 15 HB3 PHE 15 -1.084 4.474 -1.989 113 HD1 PHE 15 HD2 PHE 15 0.717 3.623 1.086 114 HD2 PHE 15 HD1 PHE 15 -0.011 2.531 -2.950 115 HE1 PHE 15 HE2 PHE 15 2.694 2.078 1.148 116 HE2 PHE 15 HE1 PHE 15 1.966 0.986 -2.888 117 HZ PHE 15 HZ PHE 15 3.295 0.777 -0.840 118 HA PRO 16 HA PRO 16 2.000 8.384 -0.148 119 HB2 PRO 16 HB2 PRO 16 3.736 7.073 1.903 120 HB3 PRO 16 HB3 PRO 16 3.051 8.729 1.843 121 HG2 PRO 16 HG2 PRO 16 2.140 6.843 3.596 122 HG3 PRO 16 HG3 PRO 16 1.196 8.186 2.872 123 HD2 PRO 16 HD2 PRO 16 1.333 5.234 2.109 124 HD3 PRO 16 HD3 PRO 16 -0.090 6.318 2.171 125 H HIS 17 HN HIS 17 2.612 7.636 -2.282 126 HA HIS 17 HA HIS 17 4.204 5.303 -2.536 127 HB2 HIS 17 HB2 HIS 17 2.608 6.225 -4.252 128 HB3 HIS 17 HB3 HIS 17 3.753 7.516 -4.553 129 HD1 HIS 17 HD1 HIS 17 5.557 7.058 -6.249 130 HD2 HIS 17 HD2 HIS 17 3.741 3.545 -4.851 131 HE1 HIS 17 HE1 HIS 17 6.502 5.155 -7.661 132 H LYS 18 HN LYS 18 4.879 8.846 -3.021 133 HA LYS 18 HA LYS 18 7.620 8.524 -3.362 134 HB2 LYS 18 HB2 LYS 18 6.255 10.528 -3.969 135 HB3 LYS 18 HB3 LYS 18 6.141 10.935 -2.269 136 HG2 LYS 18 HG2 LYS 18 7.991 12.214 -3.039 137 HG3 LYS 18 HG3 LYS 18 8.732 10.851 -2.224 138 HD2 LYS 18 HD2 LYS 18 9.096 9.696 -4.371 139 HD3 LYS 18 HD3 LYS 18 8.214 10.942 -5.232 140 HE2 LYS 18 HE2 LYS 18 10.053 12.524 -4.004 141 HE3 LYS 18 HE3 LYS 18 10.979 11.037 -4.055 142 HZ1 LYS 18 HZ1 LYS 18 11.151 11.162 -6.306 143 HZ2 LYS 18 HZ2 LYS 18 9.632 11.700 -6.538 144 H ALA 19 HN ALA 19 5.594 8.937 -0.422 145 HA ALA 19 HA ALA 19 7.710 9.308 1.366 146 HB1 ALA 19 HB1 ALA 19 4.898 9.167 1.418 147 HB2 ALA 19 HB2 ALA 19 5.448 7.861 2.495 148 HB3 ALA 19 HB3 ALA 19 5.978 9.535 2.784 149 H HIS 20 HN HIS 20 5.920 6.325 0.329 150 HA HIS 20 HA HIS 20 7.462 4.611 1.918 151 HB2 HIS 20 HB2 HIS 20 5.536 4.317 -0.347 152 HB3 HIS 20 HB3 HIS 20 6.554 2.945 0.041 153 HD1 HIS 20 HD1 HIS 20 3.989 5.239 1.694 154 HD2 HIS 20 HD2 HIS 20 5.731 1.459 2.218 155 HE1 HIS 20 HE1 HIS 20 2.704 4.117 3.591 156 H GLN 21 HN GLN 21 8.230 6.433 -0.883 157 HA GLN 21 HA GLN 21 10.097 4.520 -1.901 158 HB2 GLN 21 HB2 GLN 21 9.469 7.406 -2.645 159 HB3 GLN 21 HB3 GLN 21 10.698 6.458 -3.459 160 HG2 GLN 21 HG2 GLN 21 8.107 5.038 -3.216 161 HG3 GLN 21 HG3 GLN 21 7.991 6.526 -4.134 162 HE21 GLN 21 HE21 GLN 21 7.826 5.816 -6.152 163 HE22 GLN 21 HE22 GLN 21 8.986 4.839 -6.989 164 H LYS 22 HN LYS 22 10.006 6.820 0.636 165 HA LYS 22 HA LYS 22 12.919 7.148 0.540 166 HB2 LYS 22 HB2 LYS 22 10.950 9.057 0.824 167 HB3 LYS 22 HB3 LYS 22 11.407 8.754 2.488 168 HG2 LYS 22 HG2 LYS 22 13.879 8.835 1.176 169 HG3 LYS 22 HG3 LYS 22 12.950 10.052 0.322 170 HD2 LYS 22 HD2 LYS 22 12.469 10.288 3.188 171 HD3 LYS 22 HD3 LYS 22 14.194 10.293 2.880 172 HE2 LYS 22 HE2 LYS 22 13.960 12.497 2.358 173 HE3 LYS 22 HE3 LYS 22 13.228 11.959 0.859 174 HZ1 LYS 22 HZ1 LYS 22 11.094 12.290 1.716 175 HZ2 LYS 22 HZ2 LYS 22 11.556 12.209 3.276 176 H ALA 23 HN ALA 23 10.223 5.611 2.152 177 HA ALA 23 HA ALA 23 11.725 5.136 4.575 178 HB1 ALA 23 HB1 ALA 23 9.192 5.550 4.373 179 HB2 ALA 23 HB2 ALA 23 9.089 3.889 3.741 180 HB3 ALA 23 HB3 ALA 23 9.708 4.179 5.384 181 H VAL 24 HN VAL 24 10.521 3.318 1.688 182 HA VAL 24 HA VAL 24 12.212 1.079 2.538 183 HB VAL 24 HB VAL 24 9.897 1.237 0.598 184 HG11 VAL 24 HG11 VAL 24 11.219 -1.309 1.542 185 HG12 VAL 24 HG12 VAL 24 10.130 -1.054 0.157 186 HG13 VAL 24 HG13 VAL 24 11.800 -0.441 0.100 187 HG21 VAL 24 HG21 VAL 24 9.948 -0.370 3.145 188 HG22 VAL 24 HG22 VAL 24 9.533 1.360 3.177 189 HG23 VAL 24 HG23 VAL 24 8.556 0.228 2.212 190 HA PRO 25 HA PRO 25 14.946 2.121 -0.751 191 HB2 PRO 25 HB2 PRO 25 16.628 -0.001 -0.540 192 HB3 PRO 25 HB3 PRO 25 16.484 1.212 0.774 193 HG2 PRO 25 HG2 PRO 25 15.162 -1.646 0.820 194 HG3 PRO 25 HG3 PRO 25 16.078 -0.507 1.860 195 HD2 PRO 25 HD2 PRO 25 13.196 -0.755 1.540 196 HD3 PRO 25 HD3 PRO 25 14.082 0.464 2.505 197 H ASP 26 HN ASP 26 15.342 -1.377 -1.105 198 HA ASP 26 HA ASP 26 15.006 -1.436 -3.737 199 HB2 ASP 26 HB2 ASP 26 15.751 -3.393 -2.505 200 HB3 ASP 26 HB3 ASP 26 14.226 -3.514 -1.650 201 HD2 ASP 26 HD2 ASP 26 15.419 -4.186 -5.064 202 H CYS 27 HN CYS 27 13.259 -1.307 -5.193 203 HA CYS 27 HA CYS 27 10.654 -0.870 -4.008 204 HB2 CYS 27 HB2 CYS 27 11.642 -0.512 -6.845 205 HB3 CYS 27 HB3 CYS 27 10.017 -0.150 -6.295 206 H LYS 28 HN LYS 28 12.583 -3.300 -5.619 207 HA LYS 28 HA LYS 28 10.722 -4.731 -7.034 208 HB2 LYS 28 HB2 LYS 28 13.155 -5.610 -5.464 209 HB3 LYS 28 HB3 LYS 28 12.223 -6.709 -6.461 210 HG2 LYS 28 HG2 LYS 28 12.839 -4.209 -7.890 211 HG3 LYS 28 HG3 LYS 28 14.295 -5.008 -7.331 212 HD2 LYS 28 HD2 LYS 28 12.413 -6.955 -8.453 213 HD3 LYS 28 HD3 LYS 28 12.748 -5.682 -9.610 214 HE2 LYS 28 HE2 LYS 28 15.217 -6.510 -8.275 215 HE3 LYS 28 HE3 LYS 28 14.408 -7.900 -8.971 216 HZ1 LYS 28 HZ1 LYS 28 14.448 -5.611 -10.726 217 HZ2 LYS 28 HZ2 LYS 28 15.938 -6.163 -10.373 218 H LYS 29 HN LYS 29 10.952 -4.179 -3.588 219 HA LYS 29 HA LYS 29 9.620 -6.497 -2.726 220 HB2 LYS 29 HB2 LYS 29 10.036 -3.756 -1.520 221 HB3 LYS 29 HB3 LYS 29 9.143 -5.014 -0.690 222 HG2 LYS 29 HG2 LYS 29 12.001 -5.319 -1.730 223 HG3 LYS 29 HG3 LYS 29 11.583 -4.956 -0.067 224 HD2 LYS 29 HD2 LYS 29 10.024 -7.243 -0.851 225 HD3 LYS 29 HD3 LYS 29 11.668 -7.534 -1.384 226 HE2 LYS 29 HE2 LYS 29 11.312 -6.426 1.392 227 HE3 LYS 29 HE3 LYS 29 10.834 -8.093 1.135 228 HZ1 LYS 29 HZ1 LYS 29 13.251 -7.696 1.750 229 HZ2 LYS 29 HZ2 LYS 29 13.021 -8.650 0.451 230 H CYS 30 HN CYS 30 8.572 -3.543 -4.322 231 HA CYS 30 HA CYS 30 5.801 -4.354 -3.820 232 HB2 CYS 30 HB2 CYS 30 6.992 -1.614 -4.305 233 HB3 CYS 30 HB3 CYS 30 5.280 -1.935 -4.497 234 H HIS 31 HN HIS 31 8.318 -3.323 -6.166 235 HA HIS 31 HA HIS 31 6.486 -4.089 -8.320 236 HB2 HIS 31 HB2 HIS 31 8.876 -2.225 -8.370 237 HB3 HIS 31 HB3 HIS 31 7.951 -2.702 -9.780 238 HD1 HIS 31 HD1 HIS 31 5.163 -2.173 -9.377 239 HD2 HIS 31 HD2 HIS 31 8.017 0.154 -7.368 240 HE1 HIS 31 HE1 HIS 31 3.978 -0.017 -8.700 241 H GLU 32 HN GLU 32 7.058 -6.369 -7.705 242 HA GLU 32 HA GLU 32 9.687 -7.247 -7.886 243 HB2 GLU 32 HB2 GLU 32 8.646 -9.523 -8.078 244 HB3 GLU 32 HB3 GLU 32 8.000 -8.577 -6.752 245 HG2 GLU 32 HG2 GLU 32 5.946 -9.053 -7.614 246 HG3 GLU 32 HG3 GLU 32 6.311 -7.850 -8.836 247 HE2 GLU 32 HE2 GLU 32 5.661 -11.249 -8.606 248 H LYS 33 HN LYS 33 7.094 -6.771 -10.304 249 HA LYS 33 HA LYS 33 8.856 -7.870 -12.362 250 HB2 LYS 33 HB2 LYS 33 6.979 -8.284 -13.644 251 HB3 LYS 33 HB3 LYS 33 6.379 -8.571 -12.023 252 HG2 LYS 33 HG2 LYS 33 4.757 -7.039 -12.427 253 HG3 LYS 33 HG3 LYS 33 5.997 -5.801 -12.410 254 HD2 LYS 33 HD2 LYS 33 5.849 -5.490 -14.659 255 HD3 LYS 33 HD3 LYS 33 5.988 -7.207 -14.980 256 HE2 LYS 33 HE2 LYS 33 3.790 -7.227 -15.539 257 HE3 LYS 33 HE3 LYS 33 3.401 -6.896 -13.863 258 HZ1 LYS 33 HZ1 LYS 33 2.520 -5.016 -14.758 259 HZ2 LYS 33 HZ2 LYS 33 4.044 -4.442 -14.732 260 H GLY 34 HN GLY 34 9.724 -5.478 -11.151 261 HA2 GLY 34 HA1 GLY 34 10.612 -3.529 -11.876 262 HA3 GLY 34 HA2 GLY 34 9.892 -3.790 -13.452 263 HA PRO 35 HA PRO 35 7.836 -0.485 -10.446 264 HB2 PRO 35 HB2 PRO 35 9.047 1.253 -12.614 265 HB3 PRO 35 HB3 PRO 35 8.850 1.546 -10.855 266 HG2 PRO 35 HG2 PRO 35 11.324 0.800 -11.826 267 HG3 PRO 35 HG3 PRO 35 10.486 0.414 -10.288 268 HD2 PRO 35 HD2 PRO 35 10.893 -1.281 -12.793 269 HD3 PRO 35 HD3 PRO 35 10.988 -1.769 -11.074 270 H GLY 36 HN GLY 36 5.686 0.077 -10.949 271 HA2 GLY 36 HA1 GLY 36 4.528 1.021 -13.106 272 HA3 GLY 36 HA2 GLY 36 4.806 -0.621 -13.651 273 H LYS 37 HN LYS 37 2.449 -0.892 -13.769 274 HA LYS 37 HA LYS 37 0.950 -0.700 -11.335 275 HB2 LYS 37 HB2 LYS 37 -0.885 -0.909 -12.655 276 HB3 LYS 37 HB3 LYS 37 0.250 -0.394 -13.886 277 HG2 LYS 37 HG2 LYS 37 -0.363 -3.316 -13.240 278 HG3 LYS 37 HG3 LYS 37 -1.123 -2.418 -14.539 279 HD2 LYS 37 HD2 LYS 37 1.314 -1.912 -15.353 280 HD3 LYS 37 HD3 LYS 37 1.805 -3.195 -14.266 281 HE2 LYS 37 HE2 LYS 37 0.694 -4.865 -15.500 282 HE3 LYS 37 HE3 LYS 37 -0.466 -3.743 -16.182 283 HZ1 LYS 37 HZ1 LYS 37 2.364 -4.087 -16.973 284 HZ2 LYS 37 HZ2 LYS 37 1.042 -4.214 -17.916 285 H ILE 38 HN ILE 38 -0.226 -2.567 -10.379 286 HA ILE 38 HA ILE 38 1.413 -4.996 -10.606 287 HB ILE 38 HB ILE 38 -0.006 -3.857 -8.196 288 HG12 ILE 38 HG12 ILE 38 2.966 -4.265 -8.507 289 HG13 ILE 38 HG13 ILE 38 2.194 -2.793 -9.062 290 HG21 ILE 38 HG21 ILE 38 1.858 -6.042 -7.720 291 HG22 ILE 38 HG22 ILE 38 0.185 -5.815 -7.156 292 HG23 ILE 38 HG23 ILE 38 0.495 -6.530 -8.756 293 HD11 ILE 38 HD11 ILE 38 1.390 -3.657 -6.325 294 HD12 ILE 38 HD12 ILE 38 3.094 -3.174 -6.501 295 HD13 ILE 38 HD13 ILE 38 1.798 -2.034 -6.933 296 H GLU 39 HN GLU 39 0.158 -5.959 -12.253 297 HA GLU 39 HA GLU 39 -2.630 -6.023 -12.113 298 HB2 GLU 39 HB2 GLU 39 -2.294 -7.952 -13.820 299 HB3 GLU 39 HB3 GLU 39 -1.713 -6.359 -14.261 300 HG2 GLU 39 HG2 GLU 39 0.546 -6.940 -13.972 301 HG3 GLU 39 HG3 GLU 39 0.185 -8.206 -12.814 302 HE2 GLU 39 HE2 GLU 39 1.388 -8.359 -15.927 303 H GLY 40 HN GLY 40 -3.573 -6.869 -10.267 304 HA2 GLY 40 HA1 GLY 40 -4.320 -9.217 -9.685 305 HA3 GLY 40 HA2 GLY 40 -2.622 -9.517 -9.369 306 H PHE 41 HN PHE 41 -2.817 -6.341 -8.586 307 HA PHE 41 HA PHE 41 -2.631 -6.753 -5.858 308 HB2 PHE 41 HB2 PHE 41 -1.812 -4.761 -7.148 309 HB3 PHE 41 HB3 PHE 41 -3.458 -4.336 -7.573 310 HD1 PHE 41 HD2 PHE 41 -1.170 -4.691 -4.671 311 HD2 PHE 41 HD1 PHE 41 -4.717 -2.926 -6.190 312 HE1 PHE 41 HE2 PHE 41 -1.325 -3.244 -2.626 313 HE2 PHE 41 HE1 PHE 41 -4.872 -1.478 -4.145 314 HZ PHE 41 HZ PHE 41 -3.174 -1.654 -2.388 315 H GLY 42 HN GLY 42 -4.099 -5.552 -4.193 316 HA2 GLY 42 HA1 GLY 42 -6.530 -4.775 -4.122 317 HA3 GLY 42 HA2 GLY 42 -6.876 -6.374 -4.750 318 H LYS 43 HN LYS 43 -8.123 -6.019 -2.466 319 HA LYS 43 HA LYS 43 -7.065 -6.071 -0.052 320 HB2 LYS 43 HB2 LYS 43 -8.832 -8.014 0.369 321 HB3 LYS 43 HB3 LYS 43 -9.315 -6.363 0.037 322 HG2 LYS 43 HG2 LYS 43 -10.196 -6.896 -2.010 323 HG3 LYS 43 HG3 LYS 43 -8.852 -7.942 -2.425 324 HD2 LYS 43 HD2 LYS 43 -10.863 -9.311 -2.248 325 HD3 LYS 43 HD3 LYS 43 -9.798 -9.723 -0.919 326 HE2 LYS 43 HE2 LYS 43 -11.281 -8.975 0.654 327 HE3 LYS 43 HE3 LYS 43 -11.619 -7.503 -0.233 328 HZ1 LYS 43 HZ1 LYS 43 -13.552 -9.041 -0.079 329 HZ2 LYS 43 HZ2 LYS 43 -13.163 -8.706 -1.625 330 H GLU 44 HN GLU 44 -6.797 -8.724 -2.450 331 HA GLU 44 HA GLU 44 -5.942 -10.773 -1.043 332 HB2 GLU 44 HB2 GLU 44 -5.401 -9.724 -3.716 333 HB3 GLU 44 HB3 GLU 44 -4.014 -10.608 -3.113 334 HG2 GLU 44 HG2 GLU 44 -6.611 -11.948 -2.572 335 HG3 GLU 44 HG3 GLU 44 -6.258 -11.758 -4.278 336 HE2 GLU 44 HE2 GLU 44 -5.878 -13.789 -1.883 337 H MET 45 HN MET 45 -3.369 -8.639 -2.454 338 HA MET 45 HA MET 45 -1.594 -9.428 -0.395 339 HB2 MET 45 HB2 MET 45 -1.383 -8.432 -2.997 340 HB3 MET 45 HB3 MET 45 -0.922 -7.031 -2.050 341 HG2 MET 45 HG2 MET 45 0.702 -8.581 -0.773 342 HG3 MET 45 HG3 MET 45 0.363 -9.798 -1.987 343 HE1 MET 45 HE1 MET 45 -0.006 -9.036 -4.324 344 HE2 MET 45 HE2 MET 45 0.559 -7.494 -5.011 345 HE3 MET 45 HE3 MET 45 1.603 -8.935 -5.078 346 H ALA 46 HN ALA 46 -3.376 -6.403 -1.259 347 HA ALA 46 HA ALA 46 -2.310 -4.628 0.466 348 HB1 ALA 46 HB1 ALA 46 -5.202 -5.127 -0.323 349 HB2 ALA 46 HB2 ALA 46 -4.675 -3.684 0.577 350 HB3 ALA 46 HB3 ALA 46 -4.046 -3.992 -1.060 351 H HIS 47 HN HIS 47 -4.154 -7.541 1.230 352 HA HIS 47 HA HIS 47 -4.348 -6.674 4.009 353 HB2 HIS 47 HB2 HIS 47 -5.639 -8.989 2.539 354 HB3 HIS 47 HB3 HIS 47 -5.831 -8.667 4.251 355 HD1 HIS 47 HD1 HIS 47 -8.248 -8.654 2.261 356 HD2 HIS 47 HD2 HIS 47 -6.143 -5.242 3.498 357 HE1 HIS 47 HE1 HIS 47 -9.831 -6.680 1.935 358 H GLY 48 HN GLY 48 -3.401 -9.593 2.054 359 HA2 GLY 48 HA1 GLY 48 -2.102 -10.947 4.117 360 HA3 GLY 48 HA2 GLY 48 -1.821 -11.152 2.399 361 H LYS 49 HN LYS 49 0.436 -11.295 2.393 362 HA LYS 49 HA LYS 49 1.979 -9.368 3.859 363 HB2 LYS 49 HB2 LYS 49 2.464 -11.903 3.316 364 HB3 LYS 49 HB3 LYS 49 3.135 -11.256 1.832 365 HG2 LYS 49 HG2 LYS 49 4.774 -9.959 2.989 366 HG3 LYS 49 HG3 LYS 49 3.914 -10.059 4.512 367 HD2 LYS 49 HD2 LYS 49 4.947 -12.583 3.180 368 HD3 LYS 49 HD3 LYS 49 6.032 -11.582 4.124 369 HE2 LYS 49 HE2 LYS 49 4.121 -11.713 5.964 370 HE3 LYS 49 HE3 LYS 49 3.582 -13.108 5.052 371 HZ1 LYS 49 HZ1 LYS 49 6.243 -12.750 6.310 372 HZ2 LYS 49 HZ2 LYS 49 5.127 -13.876 6.681 373 H GLY 50 HN GLY 50 0.400 -7.795 2.407 374 HA2 GLY 50 HA1 GLY 50 1.966 -7.070 0.007 375 HA3 GLY 50 HA2 GLY 50 0.258 -6.755 0.239 376 H CYS 51 HN CYS 51 -0.194 -5.503 2.487 377 HA CYS 51 HA CYS 51 1.798 -3.356 2.606 378 HB2 CYS 51 HB2 CYS 51 -1.174 -3.008 3.009 379 HB3 CYS 51 HB3 CYS 51 0.048 -1.755 2.933 380 H LYS 52 HN LYS 52 -0.915 -5.073 4.312 381 HA LYS 52 HA LYS 52 -0.249 -4.108 6.859 382 HB2 LYS 52 HB2 LYS 52 -1.672 -6.713 6.310 383 HB3 LYS 52 HB3 LYS 52 -1.877 -5.620 7.663 384 HG2 LYS 52 HG2 LYS 52 -2.411 -3.956 5.495 385 HG3 LYS 52 HG3 LYS 52 -3.051 -5.490 4.940 386 HD2 LYS 52 HD2 LYS 52 -3.756 -4.114 7.576 387 HD3 LYS 52 HD3 LYS 52 -4.780 -4.187 6.156 388 HE2 LYS 52 HE2 LYS 52 -4.437 -6.822 6.405 389 HE3 LYS 52 HE3 LYS 52 -4.019 -6.416 8.058 390 HZ1 LYS 52 HZ1 LYS 52 -6.345 -4.998 7.405 391 HZ2 LYS 52 HZ2 LYS 52 -6.588 -6.536 6.926 392 H GLY 53 HN GLY 53 1.110 -6.605 4.795 393 HA2 GLY 53 HA1 GLY 53 2.291 -8.211 6.801 394 HA3 GLY 53 HA2 GLY 53 2.748 -8.116 5.112 395 H CYS 54 HN CYS 54 3.454 -5.374 4.863 396 HA CYS 54 HA CYS 54 5.954 -5.443 6.311 397 HB2 CYS 54 HB2 CYS 54 5.601 -4.930 3.762 398 HB3 CYS 54 HB3 CYS 54 5.208 -3.315 4.315 399 H HIS 55 HN HIS 55 3.186 -4.847 7.530 400 HA HIS 55 HA HIS 55 3.869 -2.188 8.558 401 HB2 HIS 55 HB2 HIS 55 1.205 -3.391 7.835 402 HB3 HIS 55 HB3 HIS 55 1.307 -2.133 9.051 403 HD1 HIS 55 HD1 HIS 55 -0.273 -1.141 6.865 404 HD2 HIS 55 HD2 HIS 55 3.911 -1.135 6.570 405 HE1 HIS 55 HE1 HIS 55 0.314 0.564 5.060 406 H GLU 56 HN GLU 56 1.723 -4.992 9.439 407 HA GLU 56 HA GLU 56 1.875 -4.625 12.120 408 HB2 GLU 56 HB2 GLU 56 1.147 -6.818 10.289 409 HB3 GLU 56 HB3 GLU 56 1.727 -7.406 11.835 410 HG2 GLU 56 HG2 GLU 56 0.115 -5.733 12.946 411 HG3 GLU 56 HG3 GLU 56 -0.567 -5.453 11.356 412 HE2 GLU 56 HE2 GLU 56 -1.175 -7.078 13.957 413 H GLU 57 HN GLU 57 4.077 -6.532 9.981 414 HA GLU 57 HA GLU 57 5.583 -7.817 11.753 415 HB2 GLU 57 HB2 GLU 57 6.090 -6.558 9.106 416 HB3 GLU 57 HB3 GLU 57 7.536 -6.897 10.036 417 HG2 GLU 57 HG2 GLU 57 5.865 -9.197 10.320 418 HG3 GLU 57 HG3 GLU 57 5.794 -8.757 8.625 419 HE2 GLU 57 HE2 GLU 57 7.989 -10.998 10.010 420 H MET 58 HN MET 58 5.780 -4.306 10.952 421 HA MET 58 HA MET 58 7.833 -4.026 12.977 422 HB2 MET 58 HB2 MET 58 6.638 -2.091 10.916 423 HB3 MET 58 HB3 MET 58 7.898 -1.635 12.045 424 HG2 MET 58 HG2 MET 58 8.737 -4.081 10.773 425 HG3 MET 58 HG3 MET 58 8.168 -3.007 9.511 426 HE1 MET 58 HE1 MET 58 11.259 -1.311 8.769 427 HE2 MET 58 HE2 MET 58 11.149 -3.087 8.808 428 HE3 MET 58 HE3 MET 58 9.743 -2.119 8.303 429 H LYS 59 HN LYS 59 4.415 -3.749 12.549 430 HA LYS 59 HA LYS 59 2.798 -3.098 13.906 431 HB2 LYS 59 HB2 LYS 59 4.640 -3.983 15.639 432 HB3 LYS 59 HB3 LYS 59 4.614 -2.304 16.137 433 HG2 LYS 59 HG2 LYS 59 2.909 -3.223 17.469 434 HG3 LYS 59 HG3 LYS 59 1.995 -2.570 16.123 435 HD2 LYS 59 HD2 LYS 59 1.102 -4.658 15.931 436 HD3 LYS 59 HD3 LYS 59 2.622 -5.102 15.180 437 HE2 LYS 59 HE2 LYS 59 2.394 -5.154 18.202 438 HE3 LYS 59 HE3 LYS 59 1.713 -6.473 17.269 439 HZ1 LYS 59 HZ1 LYS 59 3.977 -7.016 17.781 440 HZ2 LYS 59 HZ2 LYS 59 3.953 -6.681 16.188 441 H LYS 60 HN LYS 60 3.536 -1.353 11.960 442 HA LYS 60 HA LYS 60 2.842 1.149 13.188 443 HB2 LYS 60 HB2 LYS 60 5.604 0.591 12.281 444 HB3 LYS 60 HB3 LYS 60 4.912 2.083 11.677 445 HG2 LYS 60 HG2 LYS 60 4.316 1.670 14.536 446 HG3 LYS 60 HG3 LYS 60 6.040 1.682 14.222 447 HD2 LYS 60 HD2 LYS 60 6.026 3.931 13.942 448 HD3 LYS 60 HD3 LYS 60 4.817 3.807 12.679 449 HE2 LYS 60 HE2 LYS 60 3.829 3.454 15.491 450 HE3 LYS 60 HE3 LYS 60 4.367 5.065 15.059 451 HZ1 LYS 60 HZ1 LYS 60 2.762 5.192 13.354 452 HZ2 LYS 60 HZ2 LYS 60 2.489 3.587 13.315 453 H GLY 61 HN GLY 61 1.427 2.199 11.874 454 HA2 GLY 61 HA1 GLY 61 1.017 2.994 9.604 455 HA3 GLY 61 HA2 GLY 61 1.400 1.383 9.029 456 HA PRO 62 HA PRO 62 -3.237 1.957 9.773 457 HB2 PRO 62 HB2 PRO 62 -3.946 1.401 7.153 458 HB3 PRO 62 HB3 PRO 62 -3.552 3.044 7.754 459 HG2 PRO 62 HG2 PRO 62 -1.829 1.132 6.342 460 HG3 PRO 62 HG3 PRO 62 -2.005 2.879 5.976 461 HD2 PRO 62 HD2 PRO 62 0.097 1.981 7.426 462 HD3 PRO 62 HD3 PRO 62 -0.749 3.476 7.928 463 H THR 63 HN THR 63 -3.237 0.001 11.053 464 HA THR 63 HA THR 63 -3.062 -2.476 9.477 465 HB THR 63 HB THR 63 -2.809 -3.408 11.923 466 HG1 THR 63 HG1 THR 63 -3.129 -1.694 13.297 467 HG21 THR 63 HG21 THR 63 -0.414 -2.740 12.061 468 HG22 THR 63 HG22 THR 63 -0.833 -3.175 10.386 469 HG23 THR 63 HG23 THR 63 -0.694 -1.463 10.853 470 H LYS 64 HN LYS 64 -5.250 -0.297 11.004 471 HA LYS 64 HA LYS 64 -7.219 -2.411 11.391 472 HB2 LYS 64 HB2 LYS 64 -7.518 0.530 12.032 473 HB3 LYS 64 HB3 LYS 64 -8.479 -0.808 12.628 474 HG2 LYS 64 HG2 LYS 64 -7.076 -0.877 14.414 475 HG3 LYS 64 HG3 LYS 64 -5.871 -1.551 13.335 476 HD2 LYS 64 HD2 LYS 64 -4.626 0.274 13.931 477 HD3 LYS 64 HD3 LYS 64 -5.604 1.122 12.749 478 HE2 LYS 64 HE2 LYS 64 -7.257 1.223 14.965 479 HE3 LYS 64 HE3 LYS 64 -5.680 1.268 15.726 480 HZ1 LYS 64 HZ1 LYS 64 -6.757 3.170 13.733 481 HZ2 LYS 64 HZ2 LYS 64 -6.189 3.500 15.223 482 H CYS 65 HN CYS 65 -9.496 -1.926 10.559 483 HA CYS 65 HA CYS 65 -9.243 -1.369 7.766 484 HB2 CYS 65 HB2 CYS 65 -11.930 -1.743 8.948 485 HB3 CYS 65 HB3 CYS 65 -11.219 -2.439 7.505 486 H GLY 66 HN GLY 66 -9.583 0.487 10.575 487 HA2 GLY 66 HA1 GLY 66 -11.375 2.475 9.380 488 HA3 GLY 66 HA2 GLY 66 -10.804 2.419 11.036 489 H GLU 67 HN GLU 67 -8.135 1.666 9.134 490 HA GLU 67 HA GLU 67 -7.295 4.449 9.235 491 HB2 GLU 67 HB2 GLU 67 -6.087 2.203 10.288 492 HB3 GLU 67 HB3 GLU 67 -5.247 2.345 8.757 493 HG2 GLU 67 HG2 GLU 67 -5.510 4.528 10.877 494 HG3 GLU 67 HG3 GLU 67 -4.057 3.625 10.497 495 HE2 GLU 67 HE2 GLU 67 -6.143 6.072 9.422 496 H CYS 68 HN CYS 68 -7.305 1.477 7.179 497 HA CYS 68 HA CYS 68 -6.268 2.975 4.950 498 HB2 CYS 68 HB2 CYS 68 -6.816 0.105 5.539 499 HB3 CYS 68 HB3 CYS 68 -6.925 0.596 3.861 500 H HIS 69 HN HIS 69 -9.280 1.136 5.846 501 HA HIS 69 HA HIS 69 -10.659 2.378 3.629 502 HB2 HIS 69 HB2 HIS 69 -11.568 0.324 5.665 503 HB3 HIS 69 HB3 HIS 69 -12.525 0.891 4.311 504 HD1 HIS 69 HD1 HIS 69 -11.178 0.522 1.847 505 HD2 HIS 69 HD2 HIS 69 -10.171 -1.944 5.087 506 HE1 HIS 69 HE1 HIS 69 -10.035 -1.532 0.854 507 H LYS 70 HN LYS 70 -10.579 4.599 4.364 508 HA LYS 70 HA LYS 70 -12.849 5.369 5.775 509 HB2 LYS 70 HB2 LYS 70 -10.948 4.474 7.557 510 HB3 LYS 70 HB3 LYS 70 -10.623 6.195 7.516 511 HG2 LYS 70 HG2 LYS 70 -13.495 5.271 7.731 512 HG3 LYS 70 HG3 LYS 70 -12.478 5.186 9.156 513 HD2 LYS 70 HD2 LYS 70 -12.054 7.563 9.125 514 HD3 LYS 70 HD3 LYS 70 -12.684 7.733 7.498 515 HE2 LYS 70 HE2 LYS 70 -14.831 6.584 8.901 516 HE3 LYS 70 HE3 LYS 70 -14.134 7.688 10.070 517 HZ1 LYS 70 HZ1 LYS 70 -15.816 8.708 8.535 518 HZ2 LYS 70 HZ2 LYS 70 -14.389 9.492 8.533 519 H LYS 71 HN LYS 71 -13.050 6.694 3.937 520 HA LYS 71 HA LYS 71 -11.211 8.175 2.685 521 HB2 LYS 71 HB2 LYS 71 -14.004 8.077 2.803 522 HB3 LYS 71 HB3 LYS 71 -13.619 9.755 3.131 523 HG2 LYS 71 HG2 LYS 71 -12.258 9.902 1.086 524 HG3 LYS 71 HG3 LYS 71 -12.440 8.184 0.793 525 HD2 LYS 71 HD2 LYS 71 -14.290 8.660 -0.430 526 HD3 LYS 71 HD3 LYS 71 -15.092 9.112 1.061 527 HE2 LYS 71 HE2 LYS 71 -14.073 11.452 0.786 528 HE3 LYS 71 HE3 LYS 71 -13.530 10.957 -0.804 529 HZ1 LYS 71 HZ1 LYS 71 -16.065 10.277 -1.018 530 HZ2 LYS 71 HZ2 LYS 71 -16.268 11.429 0.115 Start of MODEL 2 1 H1 ALA 1 HN ALA 1 0.642 16.612 -8.330 2 HA ALA 1 HA ALA 1 1.398 15.990 -6.347 3 HB1 ALA 1 HB1 ALA 1 -0.186 15.254 -4.858 4 HB2 ALA 1 HB2 ALA 1 -1.268 15.626 -6.221 5 HB3 ALA 1 HB3 ALA 1 -0.747 13.949 -5.931 6 H ASP 2 HN ASP 2 2.013 13.868 -4.958 7 HA ASP 2 HA ASP 2 3.116 12.046 -6.943 8 HB2 ASP 2 HB2 ASP 2 4.057 12.576 -4.086 9 HB3 ASP 2 HB3 ASP 2 4.874 11.567 -5.262 10 HD2 ASP 2 HD2 ASP 2 5.433 14.684 -4.072 11 H ASP 3 HN ASP 3 1.066 12.469 -4.113 12 HA ASP 3 HA ASP 3 1.195 9.971 -2.992 13 HB2 ASP 3 HB2 ASP 3 -0.074 12.145 -2.264 14 HB3 ASP 3 HB3 ASP 3 -1.387 11.556 -3.265 15 HD2 ASP 3 HD2 ASP 3 0.615 10.503 -0.611 16 H ILE 4 HN ILE 4 -1.239 8.683 -3.020 17 HA ILE 4 HA ILE 4 -2.251 8.455 -5.698 18 HB ILE 4 HB ILE 4 -0.575 6.273 -4.468 19 HG12 ILE 4 HG12 ILE 4 -0.397 7.969 -6.948 20 HG13 ILE 4 HG13 ILE 4 0.819 7.671 -5.721 21 HG21 ILE 4 HG21 ILE 4 -3.007 5.869 -5.762 22 HG22 ILE 4 HG22 ILE 4 -1.782 5.607 -7.027 23 HG23 ILE 4 HG23 ILE 4 -1.712 4.673 -5.514 24 HD11 ILE 4 HD11 ILE 4 1.633 6.186 -7.270 25 HD12 ILE 4 HD12 ILE 4 0.394 5.107 -6.585 26 HD13 ILE 4 HD13 ILE 4 0.058 6.014 -8.079 27 H VAL 5 HN VAL 5 -4.373 7.795 -5.663 28 HA VAL 5 HA VAL 5 -5.336 6.822 -3.061 29 HB VAL 5 HB VAL 5 -6.922 8.473 -5.022 30 HG11 VAL 5 HG11 VAL 5 -8.590 8.393 -3.517 31 HG12 VAL 5 HG12 VAL 5 -7.704 7.015 -2.821 32 HG13 VAL 5 HG13 VAL 5 -7.490 8.646 -2.141 33 HG21 VAL 5 HG21 VAL 5 -5.065 9.396 -2.823 34 HG22 VAL 5 HG22 VAL 5 -5.160 9.948 -4.513 35 HG23 VAL 5 HG23 VAL 5 -6.447 10.379 -3.362 36 H PHE 6 HN PHE 6 -6.483 4.930 -3.069 37 HA PHE 6 HA PHE 6 -7.048 3.819 -5.727 38 HB2 PHE 6 HB2 PHE 6 -6.398 2.606 -2.976 39 HB3 PHE 6 HB3 PHE 6 -6.905 1.624 -4.337 40 HD1 PHE 6 HD1 PHE 6 -5.446 1.523 -6.380 41 HD2 PHE 6 HD2 PHE 6 -4.155 3.338 -2.768 42 HE1 PHE 6 HE1 PHE 6 -3.062 1.358 -7.149 43 HE2 PHE 6 HE2 PHE 6 -1.772 3.173 -3.536 44 HZ PHE 6 HZ PHE 6 -1.253 2.185 -5.718 45 H LYS 7 HN LYS 7 -9.191 4.152 -6.174 46 HA LYS 7 HA LYS 7 -11.186 4.658 -4.411 47 HB2 LYS 7 HB2 LYS 7 -11.148 3.386 -7.140 48 HB3 LYS 7 HB3 LYS 7 -12.658 3.563 -6.270 49 HG2 LYS 7 HG2 LYS 7 -11.416 6.071 -5.957 50 HG3 LYS 7 HG3 LYS 7 -11.020 5.618 -7.602 51 HD2 LYS 7 HD2 LYS 7 -13.099 6.291 -8.210 52 HD3 LYS 7 HD3 LYS 7 -13.738 4.909 -7.343 53 HE2 LYS 7 HE2 LYS 7 -13.649 6.370 -5.212 54 HE3 LYS 7 HE3 LYS 7 -13.323 7.732 -6.265 55 HZ1 LYS 7 HZ1 LYS 7 -15.793 6.937 -5.652 56 HZ2 LYS 7 HZ2 LYS 7 -15.454 7.711 -7.044 57 H ALA 8 HN ALA 8 -12.393 3.552 -2.934 58 HA ALA 8 HA ALA 8 -12.205 0.627 -3.003 59 HB1 ALA 8 HB1 ALA 8 -12.297 1.572 -0.285 60 HB2 ALA 8 HB2 ALA 8 -11.049 0.583 -1.079 61 HB3 ALA 8 HB3 ALA 8 -10.938 2.359 -1.121 62 H LYS 9 HN LYS 9 -14.050 -0.457 -2.053 63 HA LYS 9 HA LYS 9 -16.432 1.168 -2.278 64 HB2 LYS 9 HB2 LYS 9 -16.310 -1.798 -1.725 65 HB3 LYS 9 HB3 LYS 9 -17.613 -0.875 -2.446 66 HG2 LYS 9 HG2 LYS 9 -15.693 -0.258 -4.241 67 HG3 LYS 9 HG3 LYS 9 -15.011 -1.769 -3.674 68 HD2 LYS 9 HD2 LYS 9 -16.638 -3.032 -4.681 69 HD3 LYS 9 HD3 LYS 9 -17.922 -1.938 -4.206 70 HE2 LYS 9 HE2 LYS 9 -17.129 -0.333 -6.023 71 HE3 LYS 9 HE3 LYS 9 -15.999 -1.564 -6.549 72 HZ1 LYS 9 HZ1 LYS 9 -18.952 -1.706 -6.606 73 HZ2 LYS 9 HZ2 LYS 9 -17.919 -1.894 -7.850 74 H ASN 10 HN ASN 10 -14.295 1.123 0.054 75 HA ASN 10 HA ASN 10 -16.347 1.263 2.073 76 HB2 ASN 10 HB2 ASN 10 -14.101 -0.720 2.017 77 HB3 ASN 10 HB3 ASN 10 -14.312 0.109 3.546 78 HD21 ASN 10 HD21 ASN 10 -14.852 -1.998 4.355 79 HD22 ASN 10 HD22 ASN 10 -16.462 -2.618 4.209 80 H GLY 11 HN GLY 11 -14.490 3.065 0.431 81 HA2 GLY 11 HA1 GLY 11 -13.839 5.196 1.343 82 HA3 GLY 11 HA2 GLY 11 -13.115 4.362 2.704 83 H ASP 12 HN ASP 12 -12.166 6.148 0.237 84 HA ASP 12 HA ASP 12 -10.540 4.685 -1.363 85 HB2 ASP 12 HB2 ASP 12 -10.787 7.472 -0.498 86 HB3 ASP 12 HB3 ASP 12 -9.101 7.061 -0.749 87 HD2 ASP 12 HD2 ASP 12 -9.963 6.234 -4.221 88 H VAL 13 HN VAL 13 -8.242 4.102 -1.230 89 HA VAL 13 HA VAL 13 -7.237 4.056 1.531 90 HB VAL 13 HB VAL 13 -7.132 2.090 -0.732 91 HG11 VAL 13 HG11 VAL 13 -4.924 1.811 -0.344 92 HG12 VAL 13 HG12 VAL 13 -4.985 2.651 1.224 93 HG13 VAL 13 HG13 VAL 13 -5.476 0.944 1.109 94 HG21 VAL 13 HG21 VAL 13 -8.816 2.157 1.291 95 HG22 VAL 13 HG22 VAL 13 -8.124 0.612 0.741 96 HG23 VAL 13 HG23 VAL 13 -7.458 1.424 2.178 97 H LYS 14 HN LYS 14 -5.984 5.903 1.622 98 HA LYS 14 HA LYS 14 -4.422 6.735 -0.598 99 HB2 LYS 14 HB2 LYS 14 -5.344 7.848 1.814 100 HB3 LYS 14 HB3 LYS 14 -3.598 7.845 1.955 101 HG2 LYS 14 HG2 LYS 14 -4.042 8.668 -0.700 102 HG3 LYS 14 HG3 LYS 14 -5.326 9.458 0.194 103 HD2 LYS 14 HD2 LYS 14 -3.414 10.115 1.893 104 HD3 LYS 14 HD3 LYS 14 -2.326 9.723 0.577 105 HE2 LYS 14 HE2 LYS 14 -2.689 11.799 -0.264 106 HE3 LYS 14 HE3 LYS 14 -4.336 11.318 -0.623 107 HZ1 LYS 14 HZ1 LYS 14 -4.901 12.894 0.868 108 HZ2 LYS 14 HZ2 LYS 14 -4.403 11.889 2.048 109 H PHE 15 HN PHE 15 -2.145 6.644 -0.880 110 HA PHE 15 HA PHE 15 -0.663 5.018 1.007 111 HB2 PHE 15 HB2 PHE 15 -1.684 3.451 -0.689 112 HB3 PHE 15 HB3 PHE 15 -1.057 4.442 -1.992 113 HD1 PHE 15 HD2 PHE 15 0.711 3.399 1.106 114 HD2 PHE 15 HD1 PHE 15 0.379 2.970 -3.103 115 HE1 PHE 15 HE2 PHE 15 2.816 2.032 1.079 116 HE2 PHE 15 HE1 PHE 15 2.484 1.603 -3.130 117 HZ PHE 15 HZ PHE 15 3.677 1.150 -1.039 118 HA PRO 16 HA PRO 16 1.962 8.469 -0.115 119 HB2 PRO 16 HB2 PRO 16 3.701 7.181 1.952 120 HB3 PRO 16 HB3 PRO 16 2.993 8.828 1.885 121 HG2 PRO 16 HG2 PRO 16 2.109 6.928 3.608 122 HG3 PRO 16 HG3 PRO 16 1.114 8.244 2.906 123 HD2 PRO 16 HD2 PRO 16 1.331 5.305 2.131 124 HD3 PRO 16 HD3 PRO 16 -0.114 6.362 2.162 125 H HIS 17 HN HIS 17 2.393 7.450 -2.276 126 HA HIS 17 HA HIS 17 4.108 5.269 -2.517 127 HB2 HIS 17 HB2 HIS 17 2.520 6.225 -4.239 128 HB3 HIS 17 HB3 HIS 17 3.695 7.492 -4.531 129 HD1 HIS 17 HD1 HIS 17 5.635 6.963 -6.085 130 HD2 HIS 17 HD2 HIS 17 3.473 3.552 -4.950 131 HE1 HIS 17 HE1 HIS 17 6.517 5.047 -7.521 132 H LYS 18 HN LYS 18 4.731 8.837 -2.761 133 HA LYS 18 HA LYS 18 7.494 8.543 -3.148 134 HB2 LYS 18 HB2 LYS 18 6.164 10.549 -3.744 135 HB3 LYS 18 HB3 LYS 18 5.940 10.902 -2.043 136 HG2 LYS 18 HG2 LYS 18 7.862 12.116 -2.216 137 HG3 LYS 18 HG3 LYS 18 8.688 10.572 -2.167 138 HD2 LYS 18 HD2 LYS 18 9.462 10.913 -4.267 139 HD3 LYS 18 HD3 LYS 18 7.818 10.938 -4.872 140 HE2 LYS 18 HE2 LYS 18 8.131 13.128 -5.388 141 HE3 LYS 18 HE3 LYS 18 8.118 13.468 -3.669 142 HZ1 LYS 18 HZ1 LYS 18 10.214 13.998 -5.213 143 HZ2 LYS 18 HZ2 LYS 18 10.383 13.657 -3.630 144 H ALA 19 HN ALA 19 5.573 9.402 -0.184 145 HA ALA 19 HA ALA 19 7.607 9.572 1.602 146 HB1 ALA 19 HB1 ALA 19 5.889 9.713 3.059 147 HB2 ALA 19 HB2 ALA 19 4.824 9.475 1.653 148 HB3 ALA 19 HB3 ALA 19 5.305 8.082 2.651 149 H HIS 20 HN HIS 20 5.926 6.577 0.453 150 HA HIS 20 HA HIS 20 7.404 4.859 2.099 151 HB2 HIS 20 HB2 HIS 20 5.623 4.578 -0.285 152 HB3 HIS 20 HB3 HIS 20 6.645 3.217 0.135 153 HD1 HIS 20 HD1 HIS 20 3.851 5.361 1.571 154 HD2 HIS 20 HD2 HIS 20 5.810 1.731 2.334 155 HE1 HIS 20 HE1 HIS 20 2.502 4.189 3.393 156 H GLN 21 HN GLN 21 8.041 6.432 -1.010 157 HA GLN 21 HA GLN 21 10.084 4.681 -1.794 158 HB2 GLN 21 HB2 GLN 21 9.311 7.510 -2.582 159 HB3 GLN 21 HB3 GLN 21 10.726 6.736 -3.268 160 HG2 GLN 21 HG2 GLN 21 8.207 5.111 -3.285 161 HG3 GLN 21 HG3 GLN 21 8.221 6.512 -4.338 162 HE21 GLN 21 HE21 GLN 21 11.114 4.774 -3.404 163 HE22 GLN 21 HE22 GLN 21 11.486 4.071 -4.943 164 H LYS 22 HN LYS 22 9.863 6.979 0.734 165 HA LYS 22 HA LYS 22 12.753 7.443 0.711 166 HB2 LYS 22 HB2 LYS 22 10.701 9.215 1.056 167 HB3 LYS 22 HB3 LYS 22 11.072 8.813 2.720 168 HG2 LYS 22 HG2 LYS 22 13.607 9.118 1.530 169 HG3 LYS 22 HG3 LYS 22 12.646 10.378 0.782 170 HD2 LYS 22 HD2 LYS 22 13.214 11.558 2.672 171 HD3 LYS 22 HD3 LYS 22 11.840 10.715 3.360 172 HE2 LYS 22 HE2 LYS 22 14.532 9.343 3.426 173 HE3 LYS 22 HE3 LYS 22 14.246 10.658 4.548 174 HZ1 LYS 22 HZ1 LYS 22 12.215 9.462 5.284 175 HZ2 LYS 22 HZ2 LYS 22 12.571 8.217 4.297 176 H ALA 23 HN ALA 23 10.138 5.685 2.259 177 HA ALA 23 HA ALA 23 11.785 5.087 4.577 178 HB1 ALA 23 HB1 ALA 23 9.821 4.500 5.592 179 HB2 ALA 23 HB2 ALA 23 9.121 5.512 4.305 180 HB3 ALA 23 HB3 ALA 23 9.163 3.742 4.122 181 H VAL 24 HN VAL 24 10.182 3.414 1.786 182 HA VAL 24 HA VAL 24 11.769 1.045 2.387 183 HB VAL 24 HB VAL 24 9.529 1.552 0.417 184 HG11 VAL 24 HG11 VAL 24 11.460 -0.564 0.542 185 HG12 VAL 24 HG12 VAL 24 9.864 -1.217 0.984 186 HG13 VAL 24 HG13 VAL 24 10.080 -0.370 -0.566 187 HG21 VAL 24 HG21 VAL 24 8.946 1.632 2.878 188 HG22 VAL 24 HG22 VAL 24 8.087 0.397 1.928 189 HG23 VAL 24 HG23 VAL 24 9.447 -0.073 2.975 190 HA PRO 25 HA PRO 25 14.734 2.362 -0.616 191 HB2 PRO 25 HB2 PRO 25 16.389 0.190 -0.352 192 HB3 PRO 25 HB3 PRO 25 16.244 1.456 0.911 193 HG2 PRO 25 HG2 PRO 25 14.903 -1.337 0.944 194 HG3 PRO 25 HG3 PRO 25 15.819 -0.283 2.070 195 HD2 PRO 25 HD2 PRO 25 12.984 -0.430 1.803 196 HD3 PRO 25 HD3 PRO 25 13.888 0.897 2.593 197 H ASP 26 HN ASP 26 15.125 -1.150 -0.980 198 HA ASP 26 HA ASP 26 14.910 -1.125 -3.654 199 HB2 ASP 26 HB2 ASP 26 15.703 -3.062 -2.349 200 HB3 ASP 26 HB3 ASP 26 14.096 -3.326 -1.701 201 HD2 ASP 26 HD2 ASP 26 13.794 -5.292 -2.530 202 H CYS 27 HN CYS 27 13.189 -1.077 -5.152 203 HA CYS 27 HA CYS 27 10.552 -0.719 -4.031 204 HB2 CYS 27 HB2 CYS 27 11.580 -0.425 -6.860 205 HB3 CYS 27 HB3 CYS 27 9.934 -0.102 -6.356 206 H LYS 28 HN LYS 28 12.575 -3.117 -5.613 207 HA LYS 28 HA LYS 28 10.786 -4.655 -6.978 208 HB2 LYS 28 HB2 LYS 28 13.151 -5.521 -5.289 209 HB3 LYS 28 HB3 LYS 28 12.323 -6.550 -6.440 210 HG2 LYS 28 HG2 LYS 28 12.877 -4.109 -7.822 211 HG3 LYS 28 HG3 LYS 28 14.337 -4.505 -6.937 212 HD2 LYS 28 HD2 LYS 28 12.874 -6.593 -8.602 213 HD3 LYS 28 HD3 LYS 28 14.057 -5.517 -9.319 214 HE2 LYS 28 HE2 LYS 28 15.346 -7.416 -8.734 215 HE3 LYS 28 HE3 LYS 28 15.664 -6.304 -7.418 216 HZ1 LYS 28 HZ1 LYS 28 15.055 -8.602 -6.694 217 HZ2 LYS 28 HZ2 LYS 28 14.082 -7.465 -6.051 218 H LYS 29 HN LYS 29 10.959 -4.020 -3.535 219 HA LYS 29 HA LYS 29 9.697 -6.330 -2.605 220 HB2 LYS 29 HB2 LYS 29 9.905 -3.508 -1.541 221 HB3 LYS 29 HB3 LYS 29 9.063 -4.774 -0.670 222 HG2 LYS 29 HG2 LYS 29 11.956 -5.005 -1.624 223 HG3 LYS 29 HG3 LYS 29 11.501 -4.492 -0.012 224 HD2 LYS 29 HD2 LYS 29 11.268 -6.648 0.646 225 HD3 LYS 29 HD3 LYS 29 10.058 -6.922 -0.592 226 HE2 LYS 29 HE2 LYS 29 11.529 -8.035 -1.939 227 HE3 LYS 29 HE3 LYS 29 12.771 -6.816 -1.735 228 HZ1 LYS 29 HZ1 LYS 29 13.632 -7.908 0.095 229 HZ2 LYS 29 HZ2 LYS 29 12.224 -8.602 0.530 230 H CYS 30 HN CYS 30 8.512 -3.450 -4.289 231 HA CYS 30 HA CYS 30 5.793 -4.479 -3.917 232 HB2 CYS 30 HB2 CYS 30 6.678 -1.634 -4.503 233 HB3 CYS 30 HB3 CYS 30 5.014 -2.177 -4.424 234 H HIS 31 HN HIS 31 8.332 -3.251 -6.136 235 HA HIS 31 HA HIS 31 6.645 -4.073 -8.383 236 HB2 HIS 31 HB2 HIS 31 8.965 -2.126 -8.278 237 HB3 HIS 31 HB3 HIS 31 8.156 -2.627 -9.749 238 HD1 HIS 31 HD1 HIS 31 5.351 -2.180 -9.587 239 HD2 HIS 31 HD2 HIS 31 7.925 0.178 -7.262 240 HE1 HIS 31 HE1 HIS 31 4.033 -0.086 -8.962 241 H GLU 32 HN GLU 32 7.425 -6.299 -7.404 242 HA GLU 32 HA GLU 32 10.064 -7.042 -7.676 243 HB2 GLU 32 HB2 GLU 32 9.115 -9.396 -7.755 244 HB3 GLU 32 HB3 GLU 32 8.564 -8.425 -6.405 245 HG2 GLU 32 HG2 GLU 32 6.453 -8.972 -7.058 246 HG3 GLU 32 HG3 GLU 32 6.674 -7.819 -8.359 247 HE2 GLU 32 HE2 GLU 32 6.132 -11.519 -9.328 248 H LYS 33 HN LYS 33 7.332 -7.051 -10.020 249 HA LYS 33 HA LYS 33 9.102 -8.139 -12.059 250 HB2 LYS 33 HB2 LYS 33 7.184 -8.637 -13.293 251 HB3 LYS 33 HB3 LYS 33 6.713 -8.959 -11.636 252 HG2 LYS 33 HG2 LYS 33 5.018 -7.468 -11.818 253 HG3 LYS 33 HG3 LYS 33 6.172 -6.183 -12.118 254 HD2 LYS 33 HD2 LYS 33 4.953 -6.078 -14.097 255 HD3 LYS 33 HD3 LYS 33 6.208 -7.198 -14.586 256 HE2 LYS 33 HE2 LYS 33 4.283 -8.869 -13.402 257 HE3 LYS 33 HE3 LYS 33 3.316 -7.670 -14.236 258 HZ1 LYS 33 HZ1 LYS 33 5.578 -8.894 -15.665 259 HZ2 LYS 33 HZ2 LYS 33 4.192 -9.737 -15.530 260 H GLY 34 HN GLY 34 9.824 -5.587 -10.983 261 HA2 GLY 34 HA1 GLY 34 10.648 -3.679 -11.893 262 HA3 GLY 34 HA2 GLY 34 9.900 -4.079 -13.426 263 HA PRO 35 HA PRO 35 7.785 -0.591 -10.765 264 HB2 PRO 35 HB2 PRO 35 8.366 1.327 -12.768 265 HB3 PRO 35 HB3 PRO 35 9.259 1.092 -11.230 266 HG2 PRO 35 HG2 PRO 35 9.851 -0.011 -13.938 267 HG3 PRO 35 HG3 PRO 35 11.130 0.665 -12.877 268 HD2 PRO 35 HD2 PRO 35 10.884 -1.962 -12.945 269 HD3 PRO 35 HD3 PRO 35 10.857 -1.205 -11.323 270 H GLY 36 HN GLY 36 5.791 0.603 -11.583 271 HA2 GLY 36 HA1 GLY 36 4.396 0.955 -13.565 272 HA3 GLY 36 HA2 GLY 36 4.747 -0.697 -14.029 273 H LYS 37 HN LYS 37 2.205 -0.554 -13.998 274 HA LYS 37 HA LYS 37 0.921 -0.522 -11.493 275 HB2 LYS 37 HB2 LYS 37 -1.010 -0.811 -12.685 276 HB3 LYS 37 HB3 LYS 37 0.031 -0.179 -13.945 277 HG2 LYS 37 HG2 LYS 37 -0.400 -3.159 -13.430 278 HG3 LYS 37 HG3 LYS 37 -1.292 -2.236 -14.622 279 HD2 LYS 37 HD2 LYS 37 0.856 -1.642 -15.767 280 HD3 LYS 37 HD3 LYS 37 1.745 -2.572 -14.577 281 HE2 LYS 37 HE2 LYS 37 1.406 -4.458 -15.789 282 HE3 LYS 37 HE3 LYS 37 -0.326 -4.289 -15.578 283 HZ1 LYS 37 HZ1 LYS 37 0.233 -4.261 -17.927 284 HZ2 LYS 37 HZ2 LYS 37 -0.330 -2.785 -17.528 285 H ILE 38 HN ILE 38 -0.301 -2.436 -10.565 286 HA ILE 38 HA ILE 38 1.379 -4.836 -10.809 287 HB ILE 38 HB ILE 38 -0.019 -3.736 -8.367 288 HG12 ILE 38 HG12 ILE 38 2.957 -4.054 -8.727 289 HG13 ILE 38 HG13 ILE 38 2.136 -2.606 -9.274 290 HG21 ILE 38 HG21 ILE 38 0.097 -5.766 -7.488 291 HG22 ILE 38 HG22 ILE 38 0.770 -6.402 -9.008 292 HG23 ILE 38 HG23 ILE 38 1.859 -5.782 -7.743 293 HD11 ILE 38 HD11 ILE 38 1.758 -3.681 -6.452 294 HD12 ILE 38 HD12 ILE 38 3.080 -2.566 -6.873 295 HD13 ILE 38 HD13 ILE 38 1.387 -2.052 -7.067 296 H GLU 39 HN GLU 39 0.040 -5.669 -12.513 297 HA GLU 39 HA GLU 39 -2.722 -5.814 -12.268 298 HB2 GLU 39 HB2 GLU 39 -1.069 -6.192 -14.316 299 HB3 GLU 39 HB3 GLU 39 -1.148 -7.872 -13.823 300 HG2 GLU 39 HG2 GLU 39 -3.830 -6.728 -13.831 301 HG3 GLU 39 HG3 GLU 39 -3.058 -6.424 -15.374 302 HE2 GLU 39 HE2 GLU 39 -5.155 -8.328 -14.779 303 H GLY 40 HN GLY 40 -3.589 -6.719 -10.411 304 HA2 GLY 40 HA1 GLY 40 -4.281 -9.108 -9.888 305 HA3 GLY 40 HA2 GLY 40 -2.572 -9.370 -9.606 306 H PHE 41 HN PHE 41 -2.706 -6.262 -8.715 307 HA PHE 41 HA PHE 41 -2.541 -6.747 -6.006 308 HB2 PHE 41 HB2 PHE 41 -1.687 -4.731 -7.215 309 HB3 PHE 41 HB3 PHE 41 -3.318 -4.278 -7.668 310 HD1 PHE 41 HD2 PHE 41 -1.034 -4.632 -4.777 311 HD2 PHE 41 HD1 PHE 41 -4.659 -2.971 -6.230 312 HE1 PHE 41 HE2 PHE 41 -1.219 -3.225 -2.707 313 HE2 PHE 41 HE1 PHE 41 -4.844 -1.565 -4.159 314 HZ PHE 41 HZ PHE 41 -3.122 -1.708 -2.422 315 H GLY 42 HN GLY 42 -3.997 -5.495 -4.328 316 HA2 GLY 42 HA1 GLY 42 -6.421 -4.713 -4.246 317 HA3 GLY 42 HA2 GLY 42 -6.779 -6.307 -4.879 318 H LYS 43 HN LYS 43 -8.026 -5.984 -2.605 319 HA LYS 43 HA LYS 43 -6.984 -6.035 -0.185 320 HB2 LYS 43 HB2 LYS 43 -8.729 -8.005 0.214 321 HB3 LYS 43 HB3 LYS 43 -9.230 -6.357 -0.108 322 HG2 LYS 43 HG2 LYS 43 -10.091 -6.885 -2.165 323 HG3 LYS 43 HG3 LYS 43 -8.735 -7.915 -2.579 324 HD2 LYS 43 HD2 LYS 43 -10.648 -9.366 -2.431 325 HD3 LYS 43 HD3 LYS 43 -9.694 -9.676 -0.994 326 HE2 LYS 43 HE2 LYS 43 -11.521 -7.493 -0.434 327 HE3 LYS 43 HE3 LYS 43 -12.430 -8.812 -1.144 328 HZ1 LYS 43 HZ1 LYS 43 -11.642 -8.695 1.455 329 HZ2 LYS 43 HZ2 LYS 43 -12.122 -10.057 0.701 330 H GLU 44 HN GLU 44 -6.679 -8.684 -2.586 331 HA GLU 44 HA GLU 44 -5.800 -10.722 -1.178 332 HB2 GLU 44 HB2 GLU 44 -5.212 -9.641 -3.846 333 HB3 GLU 44 HB3 GLU 44 -3.876 -10.591 -3.227 334 HG2 GLU 44 HG2 GLU 44 -5.316 -12.525 -2.858 335 HG3 GLU 44 HG3 GLU 44 -6.760 -11.586 -3.182 336 HE2 GLU 44 HE2 GLU 44 -6.693 -11.567 -6.398 337 H MET 45 HN MET 45 -3.264 -8.531 -2.573 338 HA MET 45 HA MET 45 -1.477 -9.309 -0.517 339 HB2 MET 45 HB2 MET 45 -1.262 -8.324 -3.113 340 HB3 MET 45 HB3 MET 45 -0.858 -6.895 -2.182 341 HG2 MET 45 HG2 MET 45 0.792 -8.402 -0.861 342 HG3 MET 45 HG3 MET 45 0.528 -9.610 -2.102 343 HE1 MET 45 HE1 MET 45 1.804 -8.010 -5.323 344 HE2 MET 45 HE2 MET 45 0.748 -9.217 -4.550 345 HE3 MET 45 HE3 MET 45 0.168 -7.552 -4.793 346 H ALA 46 HN ALA 46 -3.365 -6.346 -1.344 347 HA ALA 46 HA ALA 46 -2.305 -4.549 0.389 348 HB1 ALA 46 HB1 ALA 46 -4.511 -4.714 -1.257 349 HB2 ALA 46 HB2 ALA 46 -5.260 -4.589 0.353 350 HB3 ALA 46 HB3 ALA 46 -4.126 -3.334 -0.201 351 H HIS 47 HN HIS 47 -4.066 -7.510 1.117 352 HA HIS 47 HA HIS 47 -4.309 -6.662 3.900 353 HB2 HIS 47 HB2 HIS 47 -5.579 -8.972 2.405 354 HB3 HIS 47 HB3 HIS 47 -5.785 -8.660 4.117 355 HD1 HIS 47 HD1 HIS 47 -8.189 -8.650 2.114 356 HD2 HIS 47 HD2 HIS 47 -6.108 -5.233 3.375 357 HE1 HIS 47 HE1 HIS 47 -9.780 -6.683 1.785 358 H GLY 48 HN GLY 48 -3.294 -9.518 1.890 359 HA2 GLY 48 HA1 GLY 48 -2.027 -10.925 3.935 360 HA3 GLY 48 HA2 GLY 48 -1.698 -11.063 2.219 361 H LYS 49 HN LYS 49 0.566 -11.197 2.315 362 HA LYS 49 HA LYS 49 2.026 -9.265 3.862 363 HB2 LYS 49 HB2 LYS 49 2.509 -11.843 2.709 364 HB3 LYS 49 HB3 LYS 49 3.714 -10.732 2.091 365 HG2 LYS 49 HG2 LYS 49 4.748 -11.333 4.082 366 HG3 LYS 49 HG3 LYS 49 3.842 -9.942 4.644 367 HD2 LYS 49 HD2 LYS 49 2.093 -12.232 4.773 368 HD3 LYS 49 HD3 LYS 49 3.619 -12.690 5.502 369 HE2 LYS 49 HE2 LYS 49 2.772 -11.681 7.378 370 HE3 LYS 49 HE3 LYS 49 3.293 -10.195 6.607 371 HZ1 LYS 49 HZ1 LYS 49 0.802 -10.791 5.532 372 HZ2 LYS 49 HZ2 LYS 49 0.644 -11.045 7.133 373 H GLY 50 HN GLY 50 0.481 -7.711 2.343 374 HA2 GLY 50 HA1 GLY 50 2.149 -6.945 0.025 375 HA3 GLY 50 HA2 GLY 50 0.425 -6.666 0.172 376 H CYS 51 HN CYS 51 -0.176 -5.421 2.378 377 HA CYS 51 HA CYS 51 1.746 -3.217 2.575 378 HB2 CYS 51 HB2 CYS 51 -1.243 -3.003 2.947 379 HB3 CYS 51 HB3 CYS 51 -0.077 -1.696 2.902 380 H LYS 52 HN LYS 52 -0.936 -5.017 4.249 381 HA LYS 52 HA LYS 52 -0.293 -4.062 6.808 382 HB2 LYS 52 HB2 LYS 52 -1.678 -6.683 6.245 383 HB3 LYS 52 HB3 LYS 52 -1.912 -5.586 7.592 384 HG2 LYS 52 HG2 LYS 52 -2.474 -3.914 5.469 385 HG3 LYS 52 HG3 LYS 52 -3.013 -5.451 4.822 386 HD2 LYS 52 HD2 LYS 52 -3.882 -4.269 7.504 387 HD3 LYS 52 HD3 LYS 52 -4.839 -4.249 6.036 388 HE2 LYS 52 HE2 LYS 52 -4.475 -6.877 6.073 389 HE3 LYS 52 HE3 LYS 52 -4.080 -6.624 7.761 390 HZ1 LYS 52 HZ1 LYS 52 -6.637 -6.653 6.583 391 HZ2 LYS 52 HZ2 LYS 52 -6.272 -6.513 8.164 392 H GLY 53 HN GLY 53 1.143 -6.477 4.717 393 HA2 GLY 53 HA1 GLY 53 2.310 -8.132 6.686 394 HA3 GLY 53 HA2 GLY 53 2.815 -7.952 5.017 395 H CYS 54 HN CYS 54 3.623 -5.339 4.753 396 HA CYS 54 HA CYS 54 5.983 -5.352 6.408 397 HB2 CYS 54 HB2 CYS 54 6.027 -4.988 3.899 398 HB3 CYS 54 HB3 CYS 54 5.283 -3.425 4.173 399 H HIS 55 HN HIS 55 3.264 -4.787 7.560 400 HA HIS 55 HA HIS 55 3.804 -2.047 8.448 401 HB2 HIS 55 HB2 HIS 55 1.231 -3.365 7.647 402 HB3 HIS 55 HB3 HIS 55 1.203 -2.135 8.894 403 HD1 HIS 55 HD1 HIS 55 -0.326 -1.086 6.751 404 HD2 HIS 55 HD2 HIS 55 3.859 -1.021 6.472 405 HE1 HIS 55 HE1 HIS 55 0.246 0.670 4.990 406 H GLU 56 HN GLU 56 1.749 -4.894 9.407 407 HA GLU 56 HA GLU 56 1.858 -4.378 12.083 408 HB2 GLU 56 HB2 GLU 56 1.157 -6.669 10.351 409 HB3 GLU 56 HB3 GLU 56 1.690 -7.157 11.947 410 HG2 GLU 56 HG2 GLU 56 0.053 -5.418 12.904 411 HG3 GLU 56 HG3 GLU 56 -0.577 -5.229 11.280 412 HE2 GLU 56 HE2 GLU 56 -0.849 -8.618 13.340 413 H GLU 57 HN GLU 57 4.039 -6.440 10.059 414 HA GLU 57 HA GLU 57 5.543 -7.551 11.992 415 HB2 GLU 57 HB2 GLU 57 6.097 -6.637 9.183 416 HB3 GLU 57 HB3 GLU 57 7.472 -7.125 10.154 417 HG2 GLU 57 HG2 GLU 57 5.360 -9.062 10.550 418 HG3 GLU 57 HG3 GLU 57 5.545 -8.804 8.826 419 HE2 GLU 57 HE2 GLU 57 7.991 -8.924 8.160 420 H MET 58 HN MET 58 5.532 -4.169 10.885 421 HA MET 58 HA MET 58 7.852 -3.636 12.539 422 HB2 MET 58 HB2 MET 58 6.289 -1.644 10.825 423 HB3 MET 58 HB3 MET 58 7.957 -1.518 11.347 424 HG2 MET 58 HG2 MET 58 8.409 -3.661 9.963 425 HG3 MET 58 HG3 MET 58 6.808 -3.447 9.282 426 HE1 MET 58 HE1 MET 58 10.221 -1.401 9.953 427 HE2 MET 58 HE2 MET 58 10.340 -2.876 8.963 428 HE3 MET 58 HE3 MET 58 10.608 -1.281 8.220 429 H LYS 59 HN LYS 59 4.379 -3.483 12.560 430 HA LYS 59 HA LYS 59 2.934 -2.790 14.079 431 HB2 LYS 59 HB2 LYS 59 4.964 -3.612 15.600 432 HB3 LYS 59 HB3 LYS 59 5.033 -1.913 16.021 433 HG2 LYS 59 HG2 LYS 59 3.509 -2.735 17.610 434 HG3 LYS 59 HG3 LYS 59 2.432 -2.120 16.371 435 HD2 LYS 59 HD2 LYS 59 1.486 -4.194 16.398 436 HD3 LYS 59 HD3 LYS 59 2.882 -4.703 15.468 437 HE2 LYS 59 HE2 LYS 59 3.777 -5.875 17.222 438 HE3 LYS 59 HE3 LYS 59 3.431 -4.601 18.374 439 HZ1 LYS 59 HZ1 LYS 59 1.898 -6.122 19.070 440 HZ2 LYS 59 HZ2 LYS 59 0.964 -5.488 17.896 441 H LYS 60 HN LYS 60 3.352 -1.113 12.005 442 HA LYS 60 HA LYS 60 2.677 1.393 13.152 443 HB2 LYS 60 HB2 LYS 60 5.469 0.928 12.478 444 HB3 LYS 60 HB3 LYS 60 4.796 2.229 11.516 445 HG2 LYS 60 HG2 LYS 60 4.090 3.451 13.488 446 HG3 LYS 60 HG3 LYS 60 4.389 2.077 14.533 447 HD2 LYS 60 HD2 LYS 60 6.753 2.955 12.944 448 HD3 LYS 60 HD3 LYS 60 6.179 4.138 14.102 449 HE2 LYS 60 HE2 LYS 60 6.534 2.691 15.958 450 HE3 LYS 60 HE3 LYS 60 6.536 1.250 14.961 451 HZ1 LYS 60 HZ1 LYS 60 8.730 2.963 15.597 452 HZ2 LYS 60 HZ2 LYS 60 8.764 1.464 14.961 453 H GLY 61 HN GLY 61 1.289 2.430 11.779 454 HA2 GLY 61 HA1 GLY 61 0.852 3.119 9.491 455 HA3 GLY 61 HA2 GLY 61 1.277 1.501 8.970 456 HA PRO 62 HA PRO 62 -3.366 1.939 9.717 457 HB2 PRO 62 HB2 PRO 62 -4.171 1.505 7.150 458 HB3 PRO 62 HB3 PRO 62 -3.616 3.117 7.709 459 HG2 PRO 62 HG2 PRO 62 -1.931 1.091 6.284 460 HG3 PRO 62 HG3 PRO 62 -2.149 2.819 5.858 461 HD2 PRO 62 HD2 PRO 62 -0.033 2.030 7.348 462 HD3 PRO 62 HD3 PRO 62 -0.926 3.514 7.800 463 H THR 63 HN THR 63 -3.397 -0.043 10.924 464 HA THR 63 HA THR 63 -3.152 -2.471 9.277 465 HB THR 63 HB THR 63 -2.762 -3.510 11.617 466 HG1 THR 63 HG1 THR 63 -2.178 -0.728 12.237 467 HG21 THR 63 HG21 THR 63 -0.660 -3.279 10.633 468 HG22 THR 63 HG22 THR 63 -0.934 -1.569 10.219 469 HG23 THR 63 HG23 THR 63 -0.499 -2.023 11.884 470 H LYS 64 HN LYS 64 -5.372 -0.369 10.812 471 HA LYS 64 HA LYS 64 -7.283 -2.541 11.214 472 HB2 LYS 64 HB2 LYS 64 -7.631 0.376 11.937 473 HB3 LYS 64 HB3 LYS 64 -8.556 -0.997 12.512 474 HG2 LYS 64 HG2 LYS 64 -7.112 -0.790 14.308 475 HG3 LYS 64 HG3 LYS 64 -6.132 -1.850 13.314 476 HD2 LYS 64 HD2 LYS 64 -4.536 -0.255 13.013 477 HD3 LYS 64 HD3 LYS 64 -5.720 0.953 12.558 478 HE2 LYS 64 HE2 LYS 64 -5.918 0.369 15.420 479 HE3 LYS 64 HE3 LYS 64 -4.273 0.804 15.001 480 HZ1 LYS 64 HZ1 LYS 64 -5.450 2.817 15.435 481 HZ2 LYS 64 HZ2 LYS 64 -5.265 2.781 13.818 482 H CYS 65 HN CYS 65 -9.586 -2.072 10.436 483 HA CYS 65 HA CYS 65 -9.395 -1.468 7.652 484 HB2 CYS 65 HB2 CYS 65 -12.052 -1.862 8.905 485 HB3 CYS 65 HB3 CYS 65 -11.392 -2.516 7.419 486 H GLY 66 HN GLY 66 -9.662 0.362 10.481 487 HA2 GLY 66 HA1 GLY 66 -11.436 2.384 9.294 488 HA3 GLY 66 HA2 GLY 66 -10.944 2.271 10.972 489 H GLU 67 HN GLU 67 -8.240 1.558 9.043 490 HA GLU 67 HA GLU 67 -7.367 4.327 9.297 491 HB2 GLU 67 HB2 GLU 67 -6.226 2.152 10.449 492 HB3 GLU 67 HB3 GLU 67 -5.374 2.119 8.918 493 HG2 GLU 67 HG2 GLU 67 -4.173 4.015 9.394 494 HG3 GLU 67 HG3 GLU 67 -5.551 4.834 10.099 495 HE2 GLU 67 HE2 GLU 67 -6.062 4.153 12.314 496 H CYS 68 HN CYS 68 -7.380 1.405 7.185 497 HA CYS 68 HA CYS 68 -6.194 2.918 5.035 498 HB2 CYS 68 HB2 CYS 68 -6.730 0.060 5.598 499 HB3 CYS 68 HB3 CYS 68 -6.905 0.528 3.919 500 H HIS 69 HN HIS 69 -9.262 1.088 5.743 501 HA HIS 69 HA HIS 69 -10.525 2.372 3.489 502 HB2 HIS 69 HB2 HIS 69 -11.545 0.336 5.490 503 HB3 HIS 69 HB3 HIS 69 -12.457 0.931 4.116 504 HD1 HIS 69 HD1 HIS 69 -11.113 0.521 1.678 505 HD2 HIS 69 HD2 HIS 69 -10.126 -1.929 4.937 506 HE1 HIS 69 HE1 HIS 69 -9.974 -1.543 0.701 507 H LYS 70 HN LYS 70 -10.350 4.594 4.288 508 HA LYS 70 HA LYS 70 -12.687 5.432 5.561 509 HB2 LYS 70 HB2 LYS 70 -11.308 4.411 7.512 510 HB3 LYS 70 HB3 LYS 70 -10.310 5.844 7.368 511 HG2 LYS 70 HG2 LYS 70 -12.934 6.860 7.293 512 HG3 LYS 70 HG3 LYS 70 -13.030 5.564 8.469 513 HD2 LYS 70 HD2 LYS 70 -10.985 6.544 9.623 514 HD3 LYS 70 HD3 LYS 70 -11.056 7.894 8.509 515 HE2 LYS 70 HE2 LYS 70 -13.621 7.981 9.351 516 HE3 LYS 70 HE3 LYS 70 -12.938 7.181 10.753 517 HZ1 LYS 70 HZ1 LYS 70 -11.745 9.039 11.308 518 HZ2 LYS 70 HZ2 LYS 70 -11.484 9.515 9.773 519 H LYS 71 HN LYS 71 -12.697 6.728 3.669 520 HA LYS 71 HA LYS 71 -10.722 8.177 2.589 521 HB2 LYS 71 HB2 LYS 71 -13.546 8.144 2.492 522 HB3 LYS 71 HB3 LYS 71 -13.097 9.821 2.729 523 HG2 LYS 71 HG2 LYS 71 -11.229 9.023 0.844 524 HG3 LYS 71 HG3 LYS 71 -12.609 8.043 0.391 525 HD2 LYS 71 HD2 LYS 71 -12.934 11.017 0.928 526 HD3 LYS 71 HD3 LYS 71 -12.378 10.450 -0.634 527 HE2 LYS 71 HE2 LYS 71 -14.441 9.604 -1.216 528 HE3 LYS 71 HE3 LYS 71 -14.773 9.011 0.399 529 HZ1 LYS 71 HZ1 LYS 71 -15.172 11.748 -0.630 530 HZ2 LYS 71 HZ2 LYS 71 -16.245 10.794 0.137 Start of MODEL 3 1 H1 ALA 1 HN ALA 1 1.667 15.355 -8.982 2 HA ALA 1 HA ALA 1 1.277 15.625 -6.410 3 HB1 ALA 1 HB1 ALA 1 -0.596 13.650 -6.142 4 HB2 ALA 1 HB2 ALA 1 -0.961 15.391 -6.065 5 HB3 ALA 1 HB3 ALA 1 -1.205 14.497 -7.585 6 H ASP 2 HN ASP 2 2.120 13.820 -5.131 7 HA ASP 2 HA ASP 2 3.399 11.891 -6.890 8 HB2 ASP 2 HB2 ASP 2 4.138 12.472 -3.996 9 HB3 ASP 2 HB3 ASP 2 5.128 11.696 -5.215 10 HD2 ASP 2 HD2 ASP 2 6.880 13.559 -5.699 11 H ASP 3 HN ASP 3 1.165 12.406 -4.204 12 HA ASP 3 HA ASP 3 1.327 9.936 -2.985 13 HB2 ASP 3 HB2 ASP 3 0.043 12.124 -2.322 14 HB3 ASP 3 HB3 ASP 3 -1.258 11.503 -3.318 15 HD2 ASP 3 HD2 ASP 3 0.710 10.531 -0.592 16 H ILE 4 HN ILE 4 -1.105 8.642 -3.009 17 HA ILE 4 HA ILE 4 -2.085 8.351 -5.693 18 HB ILE 4 HB ILE 4 -0.386 6.229 -4.400 19 HG12 ILE 4 HG12 ILE 4 -0.271 7.852 -6.922 20 HG13 ILE 4 HG13 ILE 4 0.986 7.530 -5.745 21 HG21 ILE 4 HG21 ILE 4 -1.168 4.641 -6.053 22 HG22 ILE 4 HG22 ILE 4 -2.537 5.226 -5.077 23 HG23 ILE 4 HG23 ILE 4 -2.290 5.847 -6.727 24 HD11 ILE 4 HD11 ILE 4 -0.137 5.627 -7.836 25 HD12 ILE 4 HD12 ILE 4 1.540 6.192 -7.652 26 HD13 ILE 4 HD13 ILE 4 0.850 5.055 -6.469 27 H VAL 5 HN VAL 5 -4.214 7.737 -5.653 28 HA VAL 5 HA VAL 5 -5.202 6.794 -3.049 29 HB VAL 5 HB VAL 5 -6.747 8.441 -5.046 30 HG11 VAL 5 HG11 VAL 5 -7.503 7.022 -2.748 31 HG12 VAL 5 HG12 VAL 5 -7.449 8.728 -2.243 32 HG13 VAL 5 HG13 VAL 5 -8.459 8.241 -3.625 33 HG21 VAL 5 HG21 VAL 5 -5.359 10.143 -4.553 34 HG22 VAL 5 HG22 VAL 5 -6.198 10.168 -2.984 35 HG23 VAL 5 HG23 VAL 5 -4.656 9.295 -3.155 36 H PHE 6 HN PHE 6 -6.527 4.990 -3.040 37 HA PHE 6 HA PHE 6 -7.025 3.823 -5.689 38 HB2 PHE 6 HB2 PHE 6 -6.418 2.624 -2.922 39 HB3 PHE 6 HB3 PHE 6 -6.915 1.641 -4.285 40 HD1 PHE 6 HD1 PHE 6 -5.421 1.438 -6.267 41 HD2 PHE 6 HD2 PHE 6 -4.176 3.412 -2.723 42 HE1 PHE 6 HE1 PHE 6 -3.028 1.245 -7.000 43 HE2 PHE 6 HE2 PHE 6 -1.783 3.219 -3.455 44 HZ PHE 6 HZ PHE 6 -1.238 2.137 -5.585 45 H LYS 7 HN LYS 7 -9.161 4.114 -6.166 46 HA LYS 7 HA LYS 7 -11.160 4.695 -4.415 47 HB2 LYS 7 HB2 LYS 7 -11.099 3.417 -7.134 48 HB3 LYS 7 HB3 LYS 7 -12.621 3.555 -6.278 49 HG2 LYS 7 HG2 LYS 7 -11.562 6.089 -5.909 50 HG3 LYS 7 HG3 LYS 7 -10.935 5.684 -7.494 51 HD2 LYS 7 HD2 LYS 7 -13.821 5.029 -7.041 52 HD3 LYS 7 HD3 LYS 7 -13.429 6.736 -7.070 53 HE2 LYS 7 HE2 LYS 7 -12.031 5.380 -9.241 54 HE3 LYS 7 HE3 LYS 7 -13.737 4.984 -9.306 55 HZ1 LYS 7 HZ1 LYS 7 -13.675 7.686 -8.795 56 HZ2 LYS 7 HZ2 LYS 7 -12.480 7.481 -9.883 57 H ALA 8 HN ALA 8 -12.312 3.634 -2.876 58 HA ALA 8 HA ALA 8 -12.186 0.703 -2.921 59 HB1 ALA 8 HB1 ALA 8 -11.023 0.679 -1.002 60 HB2 ALA 8 HB2 ALA 8 -10.904 2.454 -1.064 61 HB3 ALA 8 HB3 ALA 8 -12.267 1.682 -0.218 62 H LYS 9 HN LYS 9 -14.049 -0.349 -1.992 63 HA LYS 9 HA LYS 9 -16.408 1.305 -2.220 64 HB2 LYS 9 HB2 LYS 9 -16.309 -1.663 -1.663 65 HB3 LYS 9 HB3 LYS 9 -17.616 -0.730 -2.364 66 HG2 LYS 9 HG2 LYS 9 -15.712 -0.120 -4.181 67 HG3 LYS 9 HG3 LYS 9 -15.039 -1.642 -3.630 68 HD2 LYS 9 HD2 LYS 9 -17.982 -1.526 -4.315 69 HD3 LYS 9 HD3 LYS 9 -16.819 -1.566 -5.625 70 HE2 LYS 9 HE2 LYS 9 -16.042 -3.716 -5.064 71 HE3 LYS 9 HE3 LYS 9 -16.497 -3.560 -3.379 72 HZ1 LYS 9 HZ1 LYS 9 -18.853 -3.368 -4.848 73 HZ2 LYS 9 HZ2 LYS 9 -18.039 -4.619 -5.500 74 H ASN 10 HN ASN 10 -14.272 1.238 0.116 75 HA ASN 10 HA ASN 10 -16.328 1.398 2.133 76 HB2 ASN 10 HB2 ASN 10 -14.020 -0.538 2.118 77 HB3 ASN 10 HB3 ASN 10 -14.356 0.253 3.646 78 HD21 ASN 10 HD21 ASN 10 -14.932 -1.769 4.504 79 HD22 ASN 10 HD22 ASN 10 -16.480 -2.490 4.209 80 H GLY 11 HN GLY 11 -14.471 3.193 0.479 81 HA2 GLY 11 HA1 GLY 11 -13.823 5.331 1.375 82 HA3 GLY 11 HA2 GLY 11 -13.103 4.510 2.745 83 H ASP 12 HN ASP 12 -12.139 6.282 0.282 84 HA ASP 12 HA ASP 12 -10.516 4.821 -1.318 85 HB2 ASP 12 HB2 ASP 12 -10.743 7.602 -0.433 86 HB3 ASP 12 HB3 ASP 12 -9.060 7.181 -0.676 87 HD2 ASP 12 HD2 ASP 12 -10.476 8.980 -2.736 88 H VAL 13 HN VAL 13 -8.247 4.174 -1.172 89 HA VAL 13 HA VAL 13 -7.245 4.111 1.590 90 HB VAL 13 HB VAL 13 -7.174 2.161 -0.685 91 HG11 VAL 13 HG11 VAL 13 -5.493 1.039 1.202 92 HG12 VAL 13 HG12 VAL 13 -4.990 1.768 -0.342 93 HG13 VAL 13 HG13 VAL 13 -4.958 2.736 1.152 94 HG21 VAL 13 HG21 VAL 13 -8.817 2.232 1.376 95 HG22 VAL 13 HG22 VAL 13 -8.158 0.686 0.792 96 HG23 VAL 13 HG23 VAL 13 -7.449 1.471 2.224 97 H LYS 14 HN LYS 14 -6.050 6.023 1.630 98 HA LYS 14 HA LYS 14 -4.443 6.823 -0.552 99 HB2 LYS 14 HB2 LYS 14 -5.375 7.936 1.853 100 HB3 LYS 14 HB3 LYS 14 -3.630 7.923 2.010 101 HG2 LYS 14 HG2 LYS 14 -4.031 8.756 -0.643 102 HG3 LYS 14 HG3 LYS 14 -5.334 9.541 0.226 103 HD2 LYS 14 HD2 LYS 14 -2.557 9.630 1.415 104 HD3 LYS 14 HD3 LYS 14 -2.912 10.670 0.049 105 HE2 LYS 14 HE2 LYS 14 -5.120 10.851 1.911 106 HE3 LYS 14 HE3 LYS 14 -3.631 11.057 2.812 107 HZ1 LYS 14 HZ1 LYS 14 -4.839 12.875 1.003 108 HZ2 LYS 14 HZ2 LYS 14 -3.572 13.134 1.993 109 H PHE 15 HN PHE 15 -2.174 6.705 -0.841 110 HA PHE 15 HA PHE 15 -0.691 5.100 1.060 111 HB2 PHE 15 HB2 PHE 15 -1.728 3.496 -0.583 112 HB3 PHE 15 HB3 PHE 15 -1.131 4.461 -1.918 113 HD1 PHE 15 HD2 PHE 15 0.703 3.484 1.163 114 HD2 PHE 15 HD1 PHE 15 0.287 2.971 -3.029 115 HE1 PHE 15 HE2 PHE 15 2.811 2.121 1.120 116 HE2 PHE 15 HE1 PHE 15 2.394 1.609 -3.072 117 HZ PHE 15 HZ PHE 15 3.631 1.200 -0.997 118 HA PRO 16 HA PRO 16 1.994 8.457 -0.157 119 HB2 PRO 16 HB2 PRO 16 3.762 7.185 1.886 120 HB3 PRO 16 HB3 PRO 16 3.041 8.826 1.830 121 HG2 PRO 16 HG2 PRO 16 2.188 6.913 3.592 122 HG3 PRO 16 HG3 PRO 16 1.207 8.240 2.888 123 HD2 PRO 16 HD2 PRO 16 1.400 5.296 2.102 124 HD3 PRO 16 HD3 PRO 16 -0.046 6.347 2.192 125 H HIS 17 HN HIS 17 2.547 7.640 -2.300 126 HA HIS 17 HA HIS 17 4.131 5.332 -2.583 127 HB2 HIS 17 HB2 HIS 17 2.584 6.396 -4.289 128 HB3 HIS 17 HB3 HIS 17 3.825 7.604 -4.559 129 HD1 HIS 17 HD1 HIS 17 5.548 7.051 -6.297 130 HD2 HIS 17 HD2 HIS 17 3.590 3.634 -4.854 131 HE1 HIS 17 HE1 HIS 17 6.387 5.098 -7.708 132 H LYS 18 HN LYS 18 4.888 8.880 -2.794 133 HA LYS 18 HA LYS 18 7.647 8.467 -3.131 134 HB2 LYS 18 HB2 LYS 18 6.359 10.518 -3.762 135 HB3 LYS 18 HB3 LYS 18 6.213 10.915 -2.062 136 HG2 LYS 18 HG2 LYS 18 8.124 12.137 -2.805 137 HG3 LYS 18 HG3 LYS 18 8.786 10.768 -1.934 138 HD2 LYS 18 HD2 LYS 18 10.033 10.967 -4.000 139 HD3 LYS 18 HD3 LYS 18 9.023 9.543 -4.144 140 HE2 LYS 18 HE2 LYS 18 7.420 11.703 -5.083 141 HE3 LYS 18 HE3 LYS 18 9.012 11.974 -5.765 142 HZ1 LYS 18 HZ1 LYS 18 7.771 10.518 -7.212 143 HZ2 LYS 18 HZ2 LYS 18 8.958 9.624 -6.547 144 H ALA 19 HN ALA 19 5.695 9.443 -0.224 145 HA ALA 19 HA ALA 19 7.661 9.594 1.617 146 HB1 ALA 19 HB1 ALA 19 5.897 9.740 3.016 147 HB2 ALA 19 HB2 ALA 19 4.873 9.465 1.585 148 HB3 ALA 19 HB3 ALA 19 5.348 8.094 2.617 149 H HIS 20 HN HIS 20 5.995 6.577 0.490 150 HA HIS 20 HA HIS 20 7.444 4.878 2.163 151 HB2 HIS 20 HB2 HIS 20 5.738 4.581 -0.270 152 HB3 HIS 20 HB3 HIS 20 6.761 3.228 0.170 153 HD1 HIS 20 HD1 HIS 20 3.926 5.352 1.564 154 HD2 HIS 20 HD2 HIS 20 5.869 1.712 2.320 155 HE1 HIS 20 HE1 HIS 20 2.537 4.156 3.339 156 H GLN 21 HN GLN 21 8.118 6.331 -1.022 157 HA GLN 21 HA GLN 21 10.208 4.623 -1.696 158 HB2 GLN 21 HB2 GLN 21 9.483 7.458 -2.517 159 HB3 GLN 21 HB3 GLN 21 10.893 6.651 -3.174 160 HG2 GLN 21 HG2 GLN 21 8.332 5.087 -3.221 161 HG3 GLN 21 HG3 GLN 21 8.412 6.470 -4.293 162 HE21 GLN 21 HE21 GLN 21 11.265 4.727 -3.289 163 HE22 GLN 21 HE22 GLN 21 11.640 3.968 -4.800 164 H LYS 22 HN LYS 22 9.921 6.885 0.840 165 HA LYS 22 HA LYS 22 12.811 7.362 0.888 166 HB2 LYS 22 HB2 LYS 22 10.733 9.130 1.187 167 HB3 LYS 22 HB3 LYS 22 11.102 8.745 2.856 168 HG2 LYS 22 HG2 LYS 22 13.639 9.052 1.678 169 HG3 LYS 22 HG3 LYS 22 12.677 10.295 0.904 170 HD2 LYS 22 HD2 LYS 22 11.938 11.119 3.152 171 HD3 LYS 22 HD3 LYS 22 12.910 9.880 3.923 172 HE2 LYS 22 HE2 LYS 22 14.917 10.890 2.577 173 HE3 LYS 22 HE3 LYS 22 13.869 12.266 2.296 174 HZ1 LYS 22 HZ1 LYS 22 13.822 12.763 4.567 175 HZ2 LYS 22 HZ2 LYS 22 14.246 11.266 5.047 176 H ALA 23 HN ALA 23 10.138 5.633 2.379 177 HA ALA 23 HA ALA 23 11.675 5.057 4.765 178 HB1 ALA 23 HB1 ALA 23 8.922 5.134 4.013 179 HB2 ALA 23 HB2 ALA 23 9.297 3.458 4.481 180 HB3 ALA 23 HB3 ALA 23 9.615 4.792 5.617 181 H VAL 24 HN VAL 24 10.325 3.322 1.880 182 HA VAL 24 HA VAL 24 12.086 1.081 2.552 183 HB VAL 24 HB VAL 24 9.722 1.269 0.674 184 HG11 VAL 24 HG11 VAL 24 11.013 -1.284 1.632 185 HG12 VAL 24 HG12 VAL 24 9.937 -1.019 0.240 186 HG13 VAL 24 HG13 VAL 24 11.616 -0.432 0.190 187 HG21 VAL 24 HG21 VAL 24 9.291 1.453 3.194 188 HG22 VAL 24 HG22 VAL 24 8.415 0.181 2.310 189 HG23 VAL 24 HG23 VAL 24 9.839 -0.237 3.294 190 HA PRO 25 HA PRO 25 14.657 2.315 -0.808 191 HB2 PRO 25 HB2 PRO 25 16.471 0.308 -0.649 192 HB3 PRO 25 HB3 PRO 25 16.285 1.497 0.681 193 HG2 PRO 25 HG2 PRO 25 15.130 -1.469 0.822 194 HG3 PRO 25 HG3 PRO 25 16.028 -0.196 1.712 195 HD2 PRO 25 HD2 PRO 25 13.131 -0.650 1.531 196 HD3 PRO 25 HD3 PRO 25 13.996 0.602 2.473 197 H ASP 26 HN ASP 26 15.288 -1.133 -1.198 198 HA ASP 26 HA ASP 26 14.893 -1.264 -3.791 199 HB2 ASP 26 HB2 ASP 26 15.679 -3.200 -2.591 200 HB3 ASP 26 HB3 ASP 26 14.208 -3.308 -1.646 201 HD2 ASP 26 HD2 ASP 26 15.069 -3.411 -5.049 202 H CYS 27 HN CYS 27 13.142 -1.163 -5.240 203 HA CYS 27 HA CYS 27 10.532 -0.761 -4.060 204 HB2 CYS 27 HB2 CYS 27 11.488 -0.456 -6.915 205 HB3 CYS 27 HB3 CYS 27 9.874 -0.081 -6.344 206 H LYS 28 HN LYS 28 12.494 -3.176 -5.676 207 HA LYS 28 HA LYS 28 10.662 -4.668 -7.045 208 HB2 LYS 28 HB2 LYS 28 13.087 -5.500 -5.436 209 HB3 LYS 28 HB3 LYS 28 12.183 -6.612 -6.443 210 HG2 LYS 28 HG2 LYS 28 12.798 -4.111 -7.871 211 HG3 LYS 28 HG3 LYS 28 14.252 -4.894 -7.285 212 HD2 LYS 28 HD2 LYS 28 12.311 -6.783 -8.495 213 HD3 LYS 28 HD3 LYS 28 12.884 -5.566 -9.618 214 HE2 LYS 28 HE2 LYS 28 14.795 -6.761 -9.871 215 HE3 LYS 28 HE3 LYS 28 15.202 -6.399 -8.205 216 HZ1 LYS 28 HZ1 LYS 28 14.962 -8.860 -8.916 217 HZ2 LYS 28 HZ2 LYS 28 14.311 -8.422 -7.489 218 H LYS 29 HN LYS 29 10.885 -4.066 -3.601 219 HA LYS 29 HA LYS 29 9.600 -6.371 -2.680 220 HB2 LYS 29 HB2 LYS 29 9.973 -3.581 -1.602 221 HB3 LYS 29 HB3 LYS 29 8.984 -4.745 -0.744 222 HG2 LYS 29 HG2 LYS 29 11.854 -5.303 -1.628 223 HG3 LYS 29 HG3 LYS 29 11.436 -4.690 -0.040 224 HD2 LYS 29 HD2 LYS 29 11.004 -6.797 0.669 225 HD3 LYS 29 HD3 LYS 29 9.729 -6.945 -0.524 226 HE2 LYS 29 HE2 LYS 29 11.241 -7.836 -2.185 227 HE3 LYS 29 HE3 LYS 29 12.655 -7.368 -1.260 228 HZ1 LYS 29 HZ1 LYS 29 10.861 -9.118 0.178 229 HZ2 LYS 29 HZ2 LYS 29 11.512 -9.811 -1.144 230 H CYS 30 HN CYS 30 8.442 -3.437 -4.294 231 HA CYS 30 HA CYS 30 5.709 -4.410 -3.884 232 HB2 CYS 30 HB2 CYS 30 6.680 -1.592 -4.460 233 HB3 CYS 30 HB3 CYS 30 4.996 -2.075 -4.420 234 H HIS 31 HN HIS 31 8.243 -3.276 -6.152 235 HA HIS 31 HA HIS 31 6.499 -4.094 -8.360 236 HB2 HIS 31 HB2 HIS 31 8.809 -2.131 -8.354 237 HB3 HIS 31 HB3 HIS 31 7.913 -2.626 -9.776 238 HD1 HIS 31 HD1 HIS 31 5.079 -2.249 -9.296 239 HD2 HIS 31 HD2 HIS 31 7.880 0.246 -7.420 240 HE1 HIS 31 HE1 HIS 31 3.818 -0.134 -8.627 241 H GLU 32 HN GLU 32 7.235 -6.334 -7.579 242 HA GLU 32 HA GLU 32 9.881 -7.082 -7.755 243 HB2 GLU 32 HB2 GLU 32 8.926 -9.418 -8.028 244 HB3 GLU 32 HB3 GLU 32 8.305 -8.526 -6.654 245 HG2 GLU 32 HG2 GLU 32 6.230 -9.011 -7.452 246 HG3 GLU 32 HG3 GLU 32 6.531 -7.790 -8.673 247 HE2 GLU 32 HE2 GLU 32 5.761 -11.140 -10.140 248 H LYS 33 HN LYS 33 7.283 -6.900 -10.237 249 HA LYS 33 HA LYS 33 9.157 -7.877 -12.243 250 HB2 LYS 33 HB2 LYS 33 7.296 -8.257 -13.623 251 HB3 LYS 33 HB3 LYS 33 6.776 -8.746 -12.022 252 HG2 LYS 33 HG2 LYS 33 5.113 -7.202 -12.017 253 HG3 LYS 33 HG3 LYS 33 6.240 -5.909 -12.373 254 HD2 LYS 33 HD2 LYS 33 5.234 -5.756 -14.406 255 HD3 LYS 33 HD3 LYS 33 6.061 -7.245 -14.822 256 HE2 LYS 33 HE2 LYS 33 3.871 -7.902 -15.247 257 HE3 LYS 33 HE3 LYS 33 3.987 -8.380 -13.564 258 HZ1 LYS 33 HZ1 LYS 33 3.224 -5.651 -13.744 259 HZ2 LYS 33 HZ2 LYS 33 2.202 -6.553 -14.634 260 H GLY 34 HN GLY 34 9.904 -5.440 -11.034 261 HA2 GLY 34 HA1 GLY 34 10.747 -3.473 -11.768 262 HA3 GLY 34 HA2 GLY 34 10.060 -3.769 -13.353 263 HA PRO 35 HA PRO 35 7.865 -0.502 -10.399 264 HB2 PRO 35 HB2 PRO 35 9.011 1.241 -12.596 265 HB3 PRO 35 HB3 PRO 35 8.806 1.555 -10.842 266 HG2 PRO 35 HG2 PRO 35 11.278 0.891 -11.824 267 HG3 PRO 35 HG3 PRO 35 10.524 0.502 -10.244 268 HD2 PRO 35 HD2 PRO 35 10.969 -1.238 -12.700 269 HD3 PRO 35 HD3 PRO 35 11.050 -1.683 -10.968 270 H GLY 36 HN GLY 36 5.848 0.599 -11.097 271 HA2 GLY 36 HA1 GLY 36 4.650 1.226 -13.226 272 HA3 GLY 36 HA2 GLY 36 4.921 -0.438 -13.705 273 H LYS 37 HN LYS 37 2.582 -0.746 -13.826 274 HA LYS 37 HA LYS 37 1.087 -0.469 -11.378 275 HB2 LYS 37 HB2 LYS 37 -0.780 -0.671 -12.675 276 HB3 LYS 37 HB3 LYS 37 0.345 -0.079 -13.881 277 HG2 LYS 37 HG2 LYS 37 -0.229 -3.040 -13.391 278 HG3 LYS 37 HG3 LYS 37 -1.015 -2.083 -14.631 279 HD2 LYS 37 HD2 LYS 37 1.511 -1.488 -15.311 280 HD3 LYS 37 HD3 LYS 37 1.864 -2.982 -14.467 281 HE2 LYS 37 HE2 LYS 37 -0.055 -4.023 -15.922 282 HE3 LYS 37 HE3 LYS 37 0.102 -2.586 -16.913 283 HZ1 LYS 37 HZ1 LYS 37 1.658 -3.936 -17.900 284 HZ2 LYS 37 HZ2 LYS 37 2.644 -3.270 -16.788 285 H ILE 38 HN ILE 38 -0.244 -2.374 -10.569 286 HA ILE 38 HA ILE 38 1.426 -4.787 -10.707 287 HB ILE 38 HB ILE 38 -0.178 -3.648 -8.418 288 HG12 ILE 38 HG12 ILE 38 2.780 -4.238 -8.465 289 HG13 ILE 38 HG13 ILE 38 2.150 -2.711 -9.051 290 HG21 ILE 38 HG21 ILE 38 1.203 -6.321 -8.714 291 HG22 ILE 38 HG22 ILE 38 0.784 -5.602 -7.141 292 HG23 ILE 38 HG23 ILE 38 -0.499 -5.995 -8.310 293 HD11 ILE 38 HD11 ILE 38 1.585 -3.862 -6.279 294 HD12 ILE 38 HD12 ILE 38 2.801 -2.612 -6.637 295 HD13 ILE 38 HD13 ILE 38 1.072 -2.266 -6.880 296 H GLU 39 HN GLU 39 0.447 -6.079 -12.205 297 HA GLU 39 HA GLU 39 -2.390 -6.062 -12.420 298 HB2 GLU 39 HB2 GLU 39 -0.175 -7.630 -13.791 299 HB3 GLU 39 HB3 GLU 39 -1.866 -7.966 -14.104 300 HG2 GLU 39 HG2 GLU 39 -2.253 -5.700 -14.913 301 HG3 GLU 39 HG3 GLU 39 -0.675 -5.171 -14.366 302 HE2 GLU 39 HE2 GLU 39 -1.200 -6.628 -17.904 303 H GLY 40 HN GLY 40 -1.997 -6.688 -9.825 304 HA2 GLY 40 HA1 GLY 40 -3.261 -9.162 -9.500 305 HA3 GLY 40 HA2 GLY 40 -1.548 -9.398 -9.216 306 H PHE 41 HN PHE 41 -3.321 -6.336 -8.587 307 HA PHE 41 HA PHE 41 -2.558 -6.611 -5.786 308 HB2 PHE 41 HB2 PHE 41 -1.944 -4.577 -7.193 309 HB3 PHE 41 HB3 PHE 41 -3.647 -4.292 -7.494 310 HD1 PHE 41 HD1 PHE 41 -1.279 -4.674 -4.633 311 HD2 PHE 41 HD2 PHE 41 -4.768 -2.790 -6.144 312 HE1 PHE 41 HE1 PHE 41 -1.406 -3.252 -2.568 313 HE2 PHE 41 HE2 PHE 41 -4.895 -1.369 -4.079 314 HZ PHE 41 HZ PHE 41 -3.212 -1.617 -2.316 315 H GLY 42 HN GLY 42 -4.192 -5.523 -4.192 316 HA2 GLY 42 HA1 GLY 42 -6.705 -5.009 -4.240 317 HA3 GLY 42 HA2 GLY 42 -6.841 -6.669 -4.784 318 H LYS 43 HN LYS 43 -8.146 -6.057 -2.466 319 HA LYS 43 HA LYS 43 -7.068 -5.972 -0.074 320 HB2 LYS 43 HB2 LYS 43 -8.814 -7.925 0.465 321 HB3 LYS 43 HB3 LYS 43 -9.303 -6.284 0.093 322 HG2 LYS 43 HG2 LYS 43 -10.224 -6.877 -1.919 323 HG3 LYS 43 HG3 LYS 43 -8.889 -7.935 -2.330 324 HD2 LYS 43 HD2 LYS 43 -10.860 -9.325 -2.078 325 HD3 LYS 43 HD3 LYS 43 -9.811 -9.654 -0.714 326 HE2 LYS 43 HE2 LYS 43 -11.293 -8.779 0.807 327 HE3 LYS 43 HE3 LYS 43 -11.707 -7.423 -0.224 328 HZ1 LYS 43 HZ1 LYS 43 -13.597 -8.911 0.006 329 HZ2 LYS 43 HZ2 LYS 43 -13.102 -8.957 -1.545 330 H GLU 44 HN GLU 44 -6.880 -8.827 -2.256 331 HA GLU 44 HA GLU 44 -5.955 -10.738 -0.716 332 HB2 GLU 44 HB2 GLU 44 -5.312 -9.851 -3.482 333 HB3 GLU 44 HB3 GLU 44 -4.142 -10.952 -2.783 334 HG2 GLU 44 HG2 GLU 44 -7.140 -11.508 -2.714 335 HG3 GLU 44 HG3 GLU 44 -6.125 -12.019 -4.049 336 HE2 GLU 44 HE2 GLU 44 -4.098 -14.014 -2.258 337 H MET 45 HN MET 45 -3.469 -8.681 -2.383 338 HA MET 45 HA MET 45 -1.570 -9.333 -0.405 339 HB2 MET 45 HB2 MET 45 -1.507 -8.439 -3.024 340 HB3 MET 45 HB3 MET 45 -1.136 -6.948 -2.182 341 HG2 MET 45 HG2 MET 45 0.633 -8.352 -0.860 342 HG3 MET 45 HG3 MET 45 0.404 -9.573 -2.096 343 HE1 MET 45 HE1 MET 45 1.505 -7.879 -5.351 344 HE2 MET 45 HE2 MET 45 0.676 -9.237 -4.553 345 HE3 MET 45 HE3 MET 45 -0.164 -7.682 -4.764 346 H ALA 46 HN ALA 46 -3.464 -6.362 -1.236 347 HA ALA 46 HA ALA 46 -2.349 -4.562 0.453 348 HB1 ALA 46 HB1 ALA 46 -4.912 -3.834 0.666 349 HB2 ALA 46 HB2 ALA 46 -4.024 -3.684 -0.870 350 HB3 ALA 46 HB3 ALA 46 -5.111 -5.067 -0.602 351 H HIS 47 HN HIS 47 -4.160 -7.476 1.255 352 HA HIS 47 HA HIS 47 -4.343 -6.582 4.027 353 HB2 HIS 47 HB2 HIS 47 -5.661 -8.896 2.580 354 HB3 HIS 47 HB3 HIS 47 -5.830 -8.573 4.294 355 HD1 HIS 47 HD1 HIS 47 -8.281 -8.554 2.362 356 HD2 HIS 47 HD2 HIS 47 -6.126 -5.144 3.512 357 HE1 HIS 47 HE1 HIS 47 -9.856 -6.571 2.045 358 H GLY 48 HN GLY 48 -3.407 -9.502 2.069 359 HA2 GLY 48 HA1 GLY 48 -2.116 -10.873 4.120 360 HA3 GLY 48 HA2 GLY 48 -1.820 -11.056 2.402 361 H LYS 49 HN LYS 49 0.449 -11.243 2.510 362 HA LYS 49 HA LYS 49 1.960 -9.291 3.968 363 HB2 LYS 49 HB2 LYS 49 2.387 -11.894 3.198 364 HB3 LYS 49 HB3 LYS 49 3.368 -11.020 2.039 365 HG2 LYS 49 HG2 LYS 49 4.844 -10.265 3.642 366 HG3 LYS 49 HG3 LYS 49 3.587 -10.021 4.839 367 HD2 LYS 49 HD2 LYS 49 4.674 -11.846 5.788 368 HD3 LYS 49 HD3 LYS 49 3.477 -12.690 4.825 369 HE2 LYS 49 HE2 LYS 49 5.738 -12.152 3.117 370 HE3 LYS 49 HE3 LYS 49 6.357 -12.816 4.616 371 HZ1 LYS 49 HZ1 LYS 49 5.822 -14.701 3.378 372 HZ2 LYS 49 HZ2 LYS 49 4.476 -14.553 4.283 373 H GLY 50 HN GLY 50 0.423 -7.731 2.463 374 HA2 GLY 50 HA1 GLY 50 2.056 -7.034 0.098 375 HA3 GLY 50 HA2 GLY 50 0.338 -6.729 0.268 376 H CYS 51 HN CYS 51 -0.213 -5.434 2.454 377 HA CYS 51 HA CYS 51 1.747 -3.258 2.589 378 HB2 CYS 51 HB2 CYS 51 -1.238 -2.993 2.974 379 HB3 CYS 51 HB3 CYS 51 -0.054 -1.703 2.917 380 H LYS 52 HN LYS 52 -0.960 -4.965 4.324 381 HA LYS 52 HA LYS 52 -0.295 -3.977 6.855 382 HB2 LYS 52 HB2 LYS 52 -1.677 -6.611 6.346 383 HB3 LYS 52 HB3 LYS 52 -1.903 -5.497 7.679 384 HG2 LYS 52 HG2 LYS 52 -2.491 -3.846 5.558 385 HG3 LYS 52 HG3 LYS 52 -3.009 -5.388 4.906 386 HD2 LYS 52 HD2 LYS 52 -3.878 -4.316 7.631 387 HD3 LYS 52 HD3 LYS 52 -4.818 -4.128 6.165 388 HE2 LYS 52 HE2 LYS 52 -5.466 -6.347 6.122 389 HE3 LYS 52 HE3 LYS 52 -3.931 -6.923 6.740 390 HZ1 LYS 52 HZ1 LYS 52 -4.700 -6.814 8.853 391 HZ2 LYS 52 HZ2 LYS 52 -5.419 -5.365 8.660 392 H GLY 53 HN GLY 53 1.073 -6.512 4.831 393 HA2 GLY 53 HA1 GLY 53 2.295 -8.047 6.869 394 HA3 GLY 53 HA2 GLY 53 2.728 -7.999 5.172 395 H CYS 54 HN CYS 54 3.372 -5.224 4.868 396 HA CYS 54 HA CYS 54 5.915 -5.245 6.239 397 HB2 CYS 54 HB2 CYS 54 5.363 -4.691 3.683 398 HB3 CYS 54 HB3 CYS 54 5.160 -3.073 4.324 399 H HIS 55 HN HIS 55 3.122 -4.653 7.479 400 HA HIS 55 HA HIS 55 3.832 -2.008 8.524 401 HB2 HIS 55 HB2 HIS 55 1.146 -3.192 7.839 402 HB3 HIS 55 HB3 HIS 55 1.287 -1.907 9.022 403 HD1 HIS 55 HD1 HIS 55 -0.316 -1.015 6.770 404 HD2 HIS 55 HD2 HIS 55 3.872 -0.941 6.542 405 HE1 HIS 55 HE1 HIS 55 0.271 0.655 4.932 406 H GLU 56 HN GLU 56 1.657 -4.789 9.405 407 HA GLU 56 HA GLU 56 1.836 -4.440 12.087 408 HB2 GLU 56 HB2 GLU 56 1.059 -6.612 10.249 409 HB3 GLU 56 HB3 GLU 56 1.640 -7.216 11.788 410 HG2 GLU 56 HG2 GLU 56 0.063 -5.523 12.918 411 HG3 GLU 56 HG3 GLU 56 -0.624 -5.224 11.333 412 HE2 GLU 56 HE2 GLU 56 -2.128 -7.163 13.609 413 H GLU 57 HN GLU 57 3.981 -6.388 9.923 414 HA GLU 57 HA GLU 57 5.492 -7.593 11.829 415 HB2 GLU 57 HB2 GLU 57 5.920 -6.741 8.993 416 HB3 GLU 57 HB3 GLU 57 7.365 -7.143 9.898 417 HG2 GLU 57 HG2 GLU 57 5.655 -9.219 10.609 418 HG3 GLU 57 HG3 GLU 57 5.180 -8.915 8.949 419 HE2 GLU 57 HE2 GLU 57 7.433 -10.694 10.645 420 H MET 58 HN MET 58 5.540 -4.214 10.702 421 HA MET 58 HA MET 58 7.910 -3.737 12.302 422 HB2 MET 58 HB2 MET 58 6.372 -1.715 10.599 423 HB3 MET 58 HB3 MET 58 8.052 -1.632 11.089 424 HG2 MET 58 HG2 MET 58 8.403 -3.812 9.721 425 HG3 MET 58 HG3 MET 58 6.807 -3.531 9.055 426 HE1 MET 58 HE1 MET 58 10.465 -1.222 9.249 427 HE2 MET 58 HE2 MET 58 10.248 -2.989 9.262 428 HE3 MET 58 HE3 MET 58 10.650 -2.152 7.743 429 H LYS 59 HN LYS 59 4.471 -3.587 12.475 430 HA LYS 59 HA LYS 59 3.067 -2.798 13.983 431 HB2 LYS 59 HB2 LYS 59 5.156 -3.650 15.452 432 HB3 LYS 59 HB3 LYS 59 5.181 -1.958 15.908 433 HG2 LYS 59 HG2 LYS 59 3.691 -2.868 17.487 434 HG3 LYS 59 HG3 LYS 59 2.595 -2.235 16.275 435 HD2 LYS 59 HD2 LYS 59 1.692 -4.317 16.161 436 HD3 LYS 59 HD3 LYS 59 3.151 -4.812 15.326 437 HE2 LYS 59 HE2 LYS 59 3.841 -4.797 18.088 438 HE3 LYS 59 HE3 LYS 59 2.243 -5.515 18.016 439 HZ1 LYS 59 HZ1 LYS 59 3.302 -7.378 17.369 440 HZ2 LYS 59 HZ2 LYS 59 3.608 -6.674 15.932 441 H LYS 60 HN LYS 60 3.483 -1.133 11.904 442 HA LYS 60 HA LYS 60 2.915 1.392 13.064 443 HB2 LYS 60 HB2 LYS 60 5.673 0.852 12.150 444 HB3 LYS 60 HB3 LYS 60 4.954 2.303 11.481 445 HG2 LYS 60 HG2 LYS 60 4.341 2.066 14.338 446 HG3 LYS 60 HG3 LYS 60 6.071 1.992 14.067 447 HD2 LYS 60 HD2 LYS 60 6.052 4.255 13.894 448 HD3 LYS 60 HD3 LYS 60 5.227 4.064 12.360 449 HE2 LYS 60 HE2 LYS 60 3.431 3.818 14.716 450 HE3 LYS 60 HE3 LYS 60 4.195 5.389 14.576 451 HZ1 LYS 60 HZ1 LYS 60 2.702 4.064 12.374 452 HZ2 LYS 60 HZ2 LYS 60 2.104 5.256 13.309 453 H GLY 61 HN GLY 61 1.507 2.443 11.732 454 HA2 GLY 61 HA1 GLY 61 1.041 3.161 9.456 455 HA3 GLY 61 HA2 GLY 61 1.425 1.538 8.915 456 HA PRO 62 HA PRO 62 -3.199 2.078 9.731 457 HB2 PRO 62 HB2 PRO 62 -3.996 1.537 7.155 458 HB3 PRO 62 HB3 PRO 62 -3.510 3.174 7.702 459 HG2 PRO 62 HG2 PRO 62 -1.841 1.198 6.276 460 HG3 PRO 62 HG3 PRO 62 -2.046 2.937 5.887 461 HD2 PRO 62 HD2 PRO 62 0.093 2.074 7.316 462 HD3 PRO 62 HD3 PRO 62 -0.748 3.580 7.791 463 H THR 63 HN THR 63 -3.252 0.138 11.002 464 HA THR 63 HA THR 63 -3.096 -2.345 9.424 465 HB THR 63 HB THR 63 -2.696 -3.284 11.846 466 HG1 THR 63 HG1 THR 63 -2.234 -1.627 13.337 467 HG21 THR 63 HG21 THR 63 -0.338 -2.884 11.729 468 HG22 THR 63 HG22 THR 63 -0.863 -2.798 10.031 469 HG23 THR 63 HG23 THR 63 -0.563 -1.301 10.946 470 H LYS 64 HN LYS 64 -5.282 -0.140 10.634 471 HA LYS 64 HA LYS 64 -7.201 -2.260 11.292 472 HB2 LYS 64 HB2 LYS 64 -7.295 0.693 11.977 473 HB3 LYS 64 HB3 LYS 64 -8.476 -0.514 12.447 474 HG2 LYS 64 HG2 LYS 64 -5.541 -0.876 13.148 475 HG3 LYS 64 HG3 LYS 64 -6.575 0.128 14.144 476 HD2 LYS 64 HD2 LYS 64 -7.748 -2.521 13.461 477 HD3 LYS 64 HD3 LYS 64 -6.286 -2.614 14.423 478 HE2 LYS 64 HE2 LYS 64 -7.539 -2.147 16.256 479 HE3 LYS 64 HE3 LYS 64 -7.776 -0.530 15.623 480 HZ1 LYS 64 HZ1 LYS 64 -9.926 -1.456 15.922 481 HZ2 LYS 64 HZ2 LYS 64 -9.690 -1.521 14.312 482 H CYS 65 HN CYS 65 -9.512 -1.758 10.548 483 HA CYS 65 HA CYS 65 -9.361 -1.243 7.741 484 HB2 CYS 65 HB2 CYS 65 -12.001 -1.566 9.045 485 HB3 CYS 65 HB3 CYS 65 -11.370 -2.276 7.572 486 H GLY 66 HN GLY 66 -9.640 0.634 10.568 487 HA2 GLY 66 HA1 GLY 66 -11.378 2.657 9.342 488 HA3 GLY 66 HA2 GLY 66 -10.863 2.578 11.015 489 H GLU 67 HN GLU 67 -8.184 1.793 9.091 490 HA GLU 67 HA GLU 67 -7.285 4.559 9.265 491 HB2 GLU 67 HB2 GLU 67 -6.146 2.439 10.474 492 HB3 GLU 67 HB3 GLU 67 -5.349 2.283 8.921 493 HG2 GLU 67 HG2 GLU 67 -3.909 3.929 9.505 494 HG3 GLU 67 HG3 GLU 67 -5.245 5.061 9.578 495 HE2 GLU 67 HE2 GLU 67 -4.183 5.994 11.290 496 H CYS 68 HN CYS 68 -7.288 1.581 7.220 497 HA CYS 68 HA CYS 68 -6.142 3.047 5.023 498 HB2 CYS 68 HB2 CYS 68 -6.692 0.205 5.651 499 HB3 CYS 68 HB3 CYS 68 -6.883 0.640 3.964 500 H HIS 69 HN HIS 69 -9.220 1.272 5.820 501 HA HIS 69 HA HIS 69 -10.498 2.509 3.546 502 HB2 HIS 69 HB2 HIS 69 -11.511 0.530 5.606 503 HB3 HIS 69 HB3 HIS 69 -12.434 1.101 4.230 504 HD1 HIS 69 HD1 HIS 69 -11.137 0.617 1.785 505 HD2 HIS 69 HD2 HIS 69 -10.106 -1.755 5.088 506 HE1 HIS 69 HE1 HIS 69 -10.025 -1.477 0.842 507 H LYS 70 HN LYS 70 -10.325 4.747 4.263 508 HA LYS 70 HA LYS 70 -12.628 5.578 5.652 509 HB2 LYS 70 HB2 LYS 70 -10.621 4.823 7.396 510 HB3 LYS 70 HB3 LYS 70 -10.358 6.549 7.246 511 HG2 LYS 70 HG2 LYS 70 -13.205 5.646 7.580 512 HG3 LYS 70 HG3 LYS 70 -12.160 5.477 8.977 513 HD2 LYS 70 HD2 LYS 70 -12.604 7.668 9.403 514 HD3 LYS 70 HD3 LYS 70 -11.519 8.036 8.077 515 HE2 LYS 70 HE2 LYS 70 -13.229 8.668 6.687 516 HE3 LYS 70 HE3 LYS 70 -14.241 7.318 7.159 517 HZ1 LYS 70 HZ1 LYS 70 -13.915 9.264 9.259 518 HZ2 LYS 70 HZ2 LYS 70 -14.638 9.885 7.939 519 H LYS 71 HN LYS 71 -12.503 6.423 3.359 520 HA LYS 71 HA LYS 71 -10.659 8.067 2.327 521 HB2 LYS 71 HB2 LYS 71 -12.237 8.529 0.798 522 HB3 LYS 71 HB3 LYS 71 -13.201 7.360 1.677 523 HG2 LYS 71 HG2 LYS 71 -14.675 9.164 1.663 524 HG3 LYS 71 HG3 LYS 71 -13.854 9.458 3.184 525 HD2 LYS 71 HD2 LYS 71 -12.193 10.923 1.842 526 HD3 LYS 71 HD3 LYS 71 -13.314 10.800 0.501 527 HE2 LYS 71 HE2 LYS 71 -15.102 11.847 1.808 528 HE3 LYS 71 HE3 LYS 71 -14.137 11.791 3.270 529 HZ1 LYS 71 HZ1 LYS 71 -12.671 13.423 2.407 530 HZ2 LYS 71 HZ2 LYS 71 -13.212 13.273 0.878 Start of MODEL 4 1 H1 ALA 1 HN ALA 1 -0.476 14.677 -8.597 2 HA ALA 1 HA ALA 1 1.842 15.544 -8.475 3 HB1 ALA 1 HB1 ALA 1 -0.197 15.455 -6.503 4 HB2 ALA 1 HB2 ALA 1 1.340 15.191 -5.647 5 HB3 ALA 1 HB3 ALA 1 1.120 16.642 -6.653 6 H ASP 2 HN ASP 2 1.209 12.797 -6.170 7 HA ASP 2 HA ASP 2 3.535 11.473 -7.001 8 HB2 ASP 2 HB2 ASP 2 3.780 12.264 -4.117 9 HB3 ASP 2 HB3 ASP 2 5.043 11.889 -5.273 10 HD2 ASP 2 HD2 ASP 2 4.037 15.189 -3.971 11 H ASP 3 HN ASP 3 1.131 12.177 -4.398 12 HA ASP 3 HA ASP 3 1.241 9.753 -3.113 13 HB2 ASP 3 HB2 ASP 3 -0.037 11.971 -2.547 14 HB3 ASP 3 HB3 ASP 3 -1.331 11.322 -3.534 15 HD2 ASP 3 HD2 ASP 3 -2.845 10.148 -2.157 16 H ILE 4 HN ILE 4 -1.197 8.471 -3.111 17 HA ILE 4 HA ILE 4 -2.168 8.086 -5.783 18 HB ILE 4 HB ILE 4 -0.489 5.986 -4.423 19 HG12 ILE 4 HG12 ILE 4 -0.309 7.536 -6.997 20 HG13 ILE 4 HG13 ILE 4 0.899 7.330 -5.744 21 HG21 ILE 4 HG21 ILE 4 -1.661 5.157 -6.944 22 HG22 ILE 4 HG22 ILE 4 -1.619 4.324 -5.371 23 HG23 ILE 4 HG23 ILE 4 -2.909 5.500 -5.723 24 HD11 ILE 4 HD11 ILE 4 0.202 5.539 -8.015 25 HD12 ILE 4 HD12 ILE 4 1.752 5.748 -7.164 26 HD13 ILE 4 HD13 ILE 4 0.487 4.708 -6.467 27 H VAL 5 HN VAL 5 -4.302 7.522 -5.705 28 HA VAL 5 HA VAL 5 -5.277 6.611 -3.085 29 HB VAL 5 HB VAL 5 -6.834 8.240 -5.087 30 HG11 VAL 5 HG11 VAL 5 -7.697 6.831 -2.922 31 HG12 VAL 5 HG12 VAL 5 -7.374 8.417 -2.182 32 HG13 VAL 5 HG13 VAL 5 -8.498 8.289 -3.557 33 HG21 VAL 5 HG21 VAL 5 -4.861 9.145 -3.013 34 HG22 VAL 5 HG22 VAL 5 -5.183 9.790 -4.640 35 HG23 VAL 5 HG23 VAL 5 -6.320 10.120 -3.311 36 H PHE 6 HN PHE 6 -6.587 4.803 -3.045 37 HA PHE 6 HA PHE 6 -7.123 3.615 -5.677 38 HB2 PHE 6 HB2 PHE 6 -6.501 2.446 -2.901 39 HB3 PHE 6 HB3 PHE 6 -7.020 1.449 -4.245 40 HD1 PHE 6 HD2 PHE 6 -5.548 1.207 -6.239 41 HD2 PHE 6 HD1 PHE 6 -4.252 3.218 -2.735 42 HE1 PHE 6 HE2 PHE 6 -3.165 0.984 -6.993 43 HE2 PHE 6 HE1 PHE 6 -1.868 2.995 -3.489 44 HZ PHE 6 HZ PHE 6 -1.353 1.880 -5.609 45 H LYS 7 HN LYS 7 -9.254 4.192 -6.061 46 HA LYS 7 HA LYS 7 -11.222 4.703 -4.314 47 HB2 LYS 7 HB2 LYS 7 -11.236 3.427 -7.038 48 HB3 LYS 7 HB3 LYS 7 -12.739 3.635 -6.161 49 HG2 LYS 7 HG2 LYS 7 -11.643 6.123 -5.804 50 HG3 LYS 7 HG3 LYS 7 -10.929 5.703 -7.348 51 HD2 LYS 7 HD2 LYS 7 -12.878 6.312 -8.333 52 HD3 LYS 7 HD3 LYS 7 -13.622 4.902 -7.606 53 HE2 LYS 7 HE2 LYS 7 -14.744 6.144 -6.042 54 HE3 LYS 7 HE3 LYS 7 -13.352 7.154 -5.704 55 HZ1 LYS 7 HZ1 LYS 7 -13.837 8.342 -7.824 56 HZ2 LYS 7 HZ2 LYS 7 -15.194 7.462 -8.014 57 H ALA 8 HN ALA 8 -12.474 3.647 -2.835 58 HA ALA 8 HA ALA 8 -12.398 0.719 -2.889 59 HB1 ALA 8 HB1 ALA 8 -11.229 0.617 -0.974 60 HB2 ALA 8 HB2 ALA 8 -11.008 2.382 -1.043 61 HB3 ALA 8 HB3 ALA 8 -12.399 1.692 -0.172 62 H LYS 9 HN LYS 9 -14.269 -0.281 -1.890 63 HA LYS 9 HA LYS 9 -16.581 1.450 -2.077 64 HB2 LYS 9 HB2 LYS 9 -16.549 -1.528 -1.558 65 HB3 LYS 9 HB3 LYS 9 -17.859 -0.554 -2.194 66 HG2 LYS 9 HG2 LYS 9 -15.936 0.034 -4.043 67 HG3 LYS 9 HG3 LYS 9 -15.398 -1.567 -3.576 68 HD2 LYS 9 HD2 LYS 9 -16.965 -2.412 -4.983 69 HD3 LYS 9 HD3 LYS 9 -18.185 -1.861 -3.851 70 HE2 LYS 9 HE2 LYS 9 -17.027 0.028 -5.936 71 HE3 LYS 9 HE3 LYS 9 -18.343 -1.057 -6.339 72 HZ1 LYS 9 HZ1 LYS 9 -19.739 0.371 -5.345 73 HZ2 LYS 9 HZ2 LYS 9 -18.976 0.216 -3.915 74 H ASN 10 HN ASN 10 -14.416 1.333 0.211 75 HA ASN 10 HA ASN 10 -16.421 1.540 2.268 76 HB2 ASN 10 HB2 ASN 10 -14.536 -0.678 2.079 77 HB3 ASN 10 HB3 ASN 10 -14.151 0.273 3.500 78 HD21 ASN 10 HD21 ASN 10 -14.915 -2.131 4.055 79 HD22 ASN 10 HD22 ASN 10 -16.543 -2.242 4.634 80 H GLY 11 HN GLY 11 -14.504 3.256 0.588 81 HA2 GLY 11 HA1 GLY 11 -13.763 5.364 1.507 82 HA3 GLY 11 HA2 GLY 11 -13.033 4.489 2.838 83 H ASP 12 HN ASP 12 -12.089 6.262 0.359 84 HA ASP 12 HA ASP 12 -10.537 4.692 -1.256 85 HB2 ASP 12 HB2 ASP 12 -10.767 7.524 -0.539 86 HB3 ASP 12 HB3 ASP 12 -9.091 7.101 -0.823 87 HD2 ASP 12 HD2 ASP 12 -11.781 8.098 -2.217 88 H VAL 13 HN VAL 13 -8.323 3.963 -1.099 89 HA VAL 13 HA VAL 13 -7.230 4.097 1.620 90 HB VAL 13 HB VAL 13 -7.115 2.078 -0.598 91 HG11 VAL 13 HG11 VAL 13 -5.140 2.370 1.684 92 HG12 VAL 13 HG12 VAL 13 -5.380 0.858 0.775 93 HG13 VAL 13 HG13 VAL 13 -4.798 2.317 -0.062 94 HG21 VAL 13 HG21 VAL 13 -7.751 0.529 1.194 95 HG22 VAL 13 HG22 VAL 13 -7.667 1.853 2.381 96 HG23 VAL 13 HG23 VAL 13 -8.893 1.891 1.091 97 H LYS 14 HN LYS 14 -5.915 5.875 1.722 98 HA LYS 14 HA LYS 14 -4.414 6.703 -0.562 99 HB2 LYS 14 HB2 LYS 14 -5.312 7.856 1.851 100 HB3 LYS 14 HB3 LYS 14 -3.563 7.896 1.935 101 HG2 LYS 14 HG2 LYS 14 -4.037 8.652 -0.706 102 HG3 LYS 14 HG3 LYS 14 -5.398 9.372 0.132 103 HD2 LYS 14 HD2 LYS 14 -2.941 9.778 1.666 104 HD3 LYS 14 HD3 LYS 14 -2.730 10.352 0.023 105 HE2 LYS 14 HE2 LYS 14 -5.262 11.320 0.620 106 HE3 LYS 14 HE3 LYS 14 -4.479 11.411 2.184 107 HZ1 LYS 14 HZ1 LYS 14 -2.781 12.365 0.077 108 HZ2 LYS 14 HZ2 LYS 14 -4.167 13.217 0.159 109 H PHE 15 HN PHE 15 -2.174 6.544 -0.921 110 HA PHE 15 HA PHE 15 -0.655 4.996 1.014 111 HB2 PHE 15 HB2 PHE 15 -1.698 3.407 -0.660 112 HB3 PHE 15 HB3 PHE 15 -1.044 4.365 -1.974 113 HD1 PHE 15 HD2 PHE 15 0.672 3.358 1.165 114 HD2 PHE 15 HD1 PHE 15 0.391 2.861 -3.040 115 HE1 PHE 15 HE2 PHE 15 2.761 1.966 1.190 116 HE2 PHE 15 HE1 PHE 15 2.481 1.470 -3.015 117 HZ PHE 15 HZ PHE 15 3.640 1.039 -0.900 118 HA PRO 16 HA PRO 16 1.939 8.442 -0.207 119 HB2 PRO 16 HB2 PRO 16 3.683 7.238 1.906 120 HB3 PRO 16 HB3 PRO 16 2.958 8.875 1.785 121 HG2 PRO 16 HG2 PRO 16 2.077 7.019 3.573 122 HG3 PRO 16 HG3 PRO 16 1.088 8.305 2.808 123 HD2 PRO 16 HD2 PRO 16 1.336 5.341 2.133 124 HD3 PRO 16 HD3 PRO 16 -0.121 6.381 2.134 125 H HIS 17 HN HIS 17 2.565 7.605 -2.320 126 HA HIS 17 HA HIS 17 4.231 5.335 -2.502 127 HB2 HIS 17 HB2 HIS 17 2.654 6.261 -4.261 128 HB3 HIS 17 HB3 HIS 17 3.842 7.512 -4.569 129 HD1 HIS 17 HD1 HIS 17 5.753 6.943 -6.130 130 HD2 HIS 17 HD2 HIS 17 3.638 3.553 -4.850 131 HE1 HIS 17 HE1 HIS 17 6.650 4.982 -7.495 132 H LYS 18 HN LYS 18 4.855 8.890 -2.959 133 HA LYS 18 HA LYS 18 7.604 8.627 -3.267 134 HB2 LYS 18 HB2 LYS 18 6.212 10.615 -3.855 135 HB3 LYS 18 HB3 LYS 18 6.064 10.988 -2.150 136 HG2 LYS 18 HG2 LYS 18 7.969 12.214 -2.450 137 HG3 LYS 18 HG3 LYS 18 8.797 10.672 -2.367 138 HD2 LYS 18 HD2 LYS 18 8.577 10.453 -4.872 139 HD3 LYS 18 HD3 LYS 18 7.828 12.037 -4.923 140 HE2 LYS 18 HE2 LYS 18 10.546 11.667 -3.615 141 HE3 LYS 18 HE3 LYS 18 10.417 11.839 -5.354 142 HZ1 LYS 18 HZ1 LYS 18 10.662 13.955 -3.902 143 HZ2 LYS 18 HZ2 LYS 18 9.605 14.001 -5.139 144 H ALA 19 HN ALA 19 5.569 9.131 -0.324 145 HA ALA 19 HA ALA 19 7.660 9.436 1.474 146 HB1 ALA 19 HB1 ALA 19 5.388 7.982 2.578 147 HB2 ALA 19 HB2 ALA 19 5.920 9.653 2.884 148 HB3 ALA 19 HB3 ALA 19 4.850 9.297 1.506 149 H HIS 20 HN HIS 20 5.894 6.458 0.390 150 HA HIS 20 HA HIS 20 7.423 4.739 1.992 151 HB2 HIS 20 HB2 HIS 20 5.525 4.442 -0.302 152 HB3 HIS 20 HB3 HIS 20 6.529 3.070 0.123 153 HD1 HIS 20 HD1 HIS 20 3.908 5.373 1.660 154 HD2 HIS 20 HD2 HIS 20 5.689 1.636 2.337 155 HE1 HIS 20 HE1 HIS 20 2.589 4.286 3.555 156 H GLN 21 HN GLN 21 8.132 6.508 -0.895 157 HA GLN 21 HA GLN 21 10.038 4.622 -1.862 158 HB2 GLN 21 HB2 GLN 21 9.359 7.487 -2.636 159 HB3 GLN 21 HB3 GLN 21 10.629 6.573 -3.426 160 HG2 GLN 21 HG2 GLN 21 8.061 5.095 -3.203 161 HG3 GLN 21 HG3 GLN 21 7.948 6.558 -4.162 162 HE21 GLN 21 HE21 GLN 21 7.907 5.880 -6.183 163 HE22 GLN 21 HE22 GLN 21 9.082 4.870 -6.958 164 H LYS 22 HN LYS 22 9.933 6.907 0.673 165 HA LYS 22 HA LYS 22 12.838 7.294 0.556 166 HB2 LYS 22 HB2 LYS 22 10.850 9.165 0.860 167 HB3 LYS 22 HB3 LYS 22 11.287 8.845 2.526 168 HG2 LYS 22 HG2 LYS 22 13.775 8.983 1.244 169 HG3 LYS 22 HG3 LYS 22 12.837 10.205 0.409 170 HD2 LYS 22 HD2 LYS 22 13.568 11.496 2.185 171 HD3 LYS 22 HD3 LYS 22 12.107 10.861 2.915 172 HE2 LYS 22 HE2 LYS 22 13.479 8.966 3.898 173 HE3 LYS 22 HE3 LYS 22 14.922 9.722 3.253 174 HZ1 LYS 22 HZ1 LYS 22 14.146 11.775 4.556 175 HZ2 LYS 22 HZ2 LYS 22 13.130 10.781 5.352 176 H ALA 23 HN ALA 23 10.192 5.683 2.175 177 HA ALA 23 HA ALA 23 11.782 5.180 4.549 178 HB1 ALA 23 HB1 ALA 23 9.033 5.395 3.955 179 HB2 ALA 23 HB2 ALA 23 9.302 3.674 4.323 180 HB3 ALA 23 HB3 ALA 23 9.764 4.920 5.507 181 H VAL 24 HN VAL 24 10.275 3.373 1.788 182 HA VAL 24 HA VAL 24 11.898 1.063 2.528 183 HB VAL 24 HB VAL 24 9.634 1.404 0.551 184 HG11 VAL 24 HG11 VAL 24 9.632 -1.096 0.511 185 HG12 VAL 24 HG12 VAL 24 11.090 -0.367 -0.204 186 HG13 VAL 24 HG13 VAL 24 11.156 -1.072 1.429 187 HG21 VAL 24 HG21 VAL 24 9.200 1.561 3.110 188 HG22 VAL 24 HG22 VAL 24 8.185 0.478 2.126 189 HG23 VAL 24 HG23 VAL 24 9.512 -0.191 3.106 190 HA PRO 25 HA PRO 25 14.760 2.180 -0.641 191 HB2 PRO 25 HB2 PRO 25 16.469 0.079 -0.280 192 HB3 PRO 25 HB3 PRO 25 16.296 1.388 0.934 193 HG2 PRO 25 HG2 PRO 25 15.028 -1.486 1.157 194 HG3 PRO 25 HG3 PRO 25 15.916 -0.255 2.112 195 HD2 PRO 25 HD2 PRO 25 13.045 -0.586 1.821 196 HD3 PRO 25 HD3 PRO 25 13.903 0.741 2.663 197 H ASP 26 HN ASP 26 15.236 -1.328 -0.817 198 HA ASP 26 HA ASP 26 15.002 -1.508 -3.458 199 HB2 ASP 26 HB2 ASP 26 15.747 -3.389 -2.114 200 HB3 ASP 26 HB3 ASP 26 14.196 -3.510 -1.309 201 HD2 ASP 26 HD2 ASP 26 15.105 -5.026 -4.800 202 H CYS 27 HN CYS 27 13.309 -1.145 -4.902 203 HA CYS 27 HA CYS 27 10.659 -0.850 -3.843 204 HB2 CYS 27 HB2 CYS 27 11.749 -0.529 -6.647 205 HB3 CYS 27 HB3 CYS 27 10.093 -0.199 -6.176 206 H LYS 28 HN LYS 28 12.668 -3.260 -5.424 207 HA LYS 28 HA LYS 28 10.885 -4.750 -6.845 208 HB2 LYS 28 HB2 LYS 28 13.206 -5.652 -5.116 209 HB3 LYS 28 HB3 LYS 28 12.371 -6.688 -6.256 210 HG2 LYS 28 HG2 LYS 28 13.210 -4.067 -7.390 211 HG3 LYS 28 HG3 LYS 28 14.543 -5.080 -6.873 212 HD2 LYS 28 HD2 LYS 28 12.745 -6.826 -8.229 213 HD3 LYS 28 HD3 LYS 28 12.811 -5.373 -9.207 214 HE2 LYS 28 HE2 LYS 28 15.484 -5.695 -8.616 215 HE3 LYS 28 HE3 LYS 28 14.958 -7.367 -8.624 216 HZ1 LYS 28 HZ1 LYS 28 15.405 -5.729 -10.845 217 HZ2 LYS 28 HZ2 LYS 28 14.906 -7.279 -10.852 218 H LYS 29 HN LYS 29 10.991 -4.165 -3.388 219 HA LYS 29 HA LYS 29 9.668 -6.455 -2.510 220 HB2 LYS 29 HB2 LYS 29 9.905 -3.643 -1.432 221 HB3 LYS 29 HB3 LYS 29 8.981 -4.875 -0.596 222 HG2 LYS 29 HG2 LYS 29 11.926 -5.106 -1.379 223 HG3 LYS 29 HG3 LYS 29 11.331 -4.758 0.232 224 HD2 LYS 29 HD2 LYS 29 9.927 -7.088 -0.543 225 HD3 LYS 29 HD3 LYS 29 11.552 -7.341 -1.148 226 HE2 LYS 29 HE2 LYS 29 12.342 -6.559 1.229 227 HE3 LYS 29 HE3 LYS 29 10.681 -6.827 1.720 228 HZ1 LYS 29 HZ1 LYS 29 12.050 -8.821 2.037 229 HZ2 LYS 29 HZ2 LYS 29 10.876 -9.129 0.951 230 H CYS 30 HN CYS 30 8.539 -3.481 -4.109 231 HA CYS 30 HA CYS 30 5.810 -4.514 -3.863 232 HB2 CYS 30 HB2 CYS 30 6.747 -1.670 -4.365 233 HB3 CYS 30 HB3 CYS 30 5.074 -2.190 -4.365 234 H HIS 31 HN HIS 31 8.455 -3.380 -5.981 235 HA HIS 31 HA HIS 31 6.811 -4.131 -8.288 236 HB2 HIS 31 HB2 HIS 31 9.121 -2.178 -8.115 237 HB3 HIS 31 HB3 HIS 31 8.331 -2.659 -9.603 238 HD1 HIS 31 HD1 HIS 31 5.501 -2.246 -9.414 239 HD2 HIS 31 HD2 HIS 31 8.090 0.142 -7.137 240 HE1 HIS 31 HE1 HIS 31 4.181 -0.153 -8.792 241 H GLU 32 HN GLU 32 7.584 -6.361 -7.304 242 HA GLU 32 HA GLU 32 10.236 -7.078 -7.527 243 HB2 GLU 32 HB2 GLU 32 9.324 -9.436 -7.609 244 HB3 GLU 32 HB3 GLU 32 8.704 -8.468 -6.287 245 HG2 GLU 32 HG2 GLU 32 6.634 -9.079 -7.017 246 HG3 GLU 32 HG3 GLU 32 6.871 -7.906 -8.297 247 HE2 GLU 32 HE2 GLU 32 5.817 -9.858 -10.135 248 H LYS 33 HN LYS 33 7.554 -7.070 -9.921 249 HA LYS 33 HA LYS 33 9.344 -8.177 -11.929 250 HB2 LYS 33 HB2 LYS 33 7.427 -8.569 -13.232 251 HB3 LYS 33 HB3 LYS 33 6.953 -8.968 -11.593 252 HG2 LYS 33 HG2 LYS 33 5.325 -7.387 -11.611 253 HG3 LYS 33 HG3 LYS 33 6.473 -6.139 -12.052 254 HD2 LYS 33 HD2 LYS 33 5.625 -6.078 -14.151 255 HD3 LYS 33 HD3 LYS 33 6.061 -7.758 -14.390 256 HE2 LYS 33 HE2 LYS 33 3.774 -7.910 -12.761 257 HE3 LYS 33 HE3 LYS 33 3.414 -6.574 -13.836 258 HZ1 LYS 33 HZ1 LYS 33 2.738 -8.587 -14.912 259 HZ2 LYS 33 HZ2 LYS 33 4.068 -8.091 -15.710 260 H GLY 34 HN GLY 34 10.029 -5.609 -10.771 261 HA2 GLY 34 HA1 GLY 34 10.944 -3.725 -11.656 262 HA3 GLY 34 HA2 GLY 34 10.241 -4.102 -13.217 263 HA PRO 35 HA PRO 35 8.103 -0.546 -10.738 264 HB2 PRO 35 HB2 PRO 35 8.692 1.331 -12.739 265 HB3 PRO 35 HB3 PRO 35 9.659 1.062 -11.253 266 HG2 PRO 35 HG2 PRO 35 10.155 -0.149 -14.009 267 HG3 PRO 35 HG3 PRO 35 11.409 0.613 -12.977 268 HD2 PRO 35 HD2 PRO 35 11.171 -2.033 -12.911 269 HD3 PRO 35 HD3 PRO 35 11.196 -1.175 -11.341 270 H GLY 36 HN GLY 36 6.100 0.580 -11.567 271 HA2 GLY 36 HA1 GLY 36 4.749 0.885 -13.618 272 HA3 GLY 36 HA2 GLY 36 5.057 -0.804 -13.967 273 H LYS 37 HN LYS 37 2.627 -0.945 -13.977 274 HA LYS 37 HA LYS 37 1.322 -0.640 -11.437 275 HB2 LYS 37 HB2 LYS 37 -0.652 -0.915 -12.594 276 HB3 LYS 37 HB3 LYS 37 0.381 -0.224 -13.829 277 HG2 LYS 37 HG2 LYS 37 -0.040 -3.227 -13.461 278 HG3 LYS 37 HG3 LYS 37 -0.961 -2.248 -14.585 279 HD2 LYS 37 HD2 LYS 37 1.419 -1.493 -15.476 280 HD3 LYS 37 HD3 LYS 37 1.990 -2.937 -14.663 281 HE2 LYS 37 HE2 LYS 37 0.921 -4.372 -16.142 282 HE3 LYS 37 HE3 LYS 37 -0.437 -3.291 -16.385 283 HZ1 LYS 37 HZ1 LYS 37 0.812 -3.241 -18.383 284 HZ2 LYS 37 HZ2 LYS 37 1.196 -1.836 -17.655 285 H ILE 38 HN ILE 38 -0.060 -2.550 -10.601 286 HA ILE 38 HA ILE 38 1.566 -4.990 -10.800 287 HB ILE 38 HB ILE 38 0.142 -3.888 -8.375 288 HG12 ILE 38 HG12 ILE 38 3.123 -4.210 -8.671 289 HG13 ILE 38 HG13 ILE 38 2.322 -2.759 -9.240 290 HG21 ILE 38 HG21 ILE 38 2.072 -6.031 -7.952 291 HG22 ILE 38 HG22 ILE 38 0.403 -5.852 -7.360 292 HG23 ILE 38 HG23 ILE 38 0.706 -6.534 -8.976 293 HD11 ILE 38 HD11 ILE 38 3.213 -3.048 -6.691 294 HD12 ILE 38 HD12 ILE 38 1.817 -2.026 -7.112 295 HD13 ILE 38 HD13 ILE 38 1.558 -3.675 -6.493 296 H GLU 39 HN GLU 39 0.339 -6.032 -12.378 297 HA GLU 39 HA GLU 39 -2.470 -6.002 -12.267 298 HB2 GLU 39 HB2 GLU 39 -0.531 -6.696 -14.149 299 HB3 GLU 39 HB3 GLU 39 -1.241 -8.247 -13.744 300 HG2 GLU 39 HG2 GLU 39 -3.533 -7.271 -14.158 301 HG3 GLU 39 HG3 GLU 39 -2.780 -5.763 -14.639 302 HE2 GLU 39 HE2 GLU 39 -4.129 -7.035 -16.811 303 H GLY 40 HN GLY 40 -3.494 -6.888 -10.502 304 HA2 GLY 40 HA1 GLY 40 -4.226 -9.241 -9.935 305 HA3 GLY 40 HA2 GLY 40 -2.536 -9.521 -9.564 306 H PHE 41 HN PHE 41 -2.388 -6.523 -8.656 307 HA PHE 41 HA PHE 41 -2.447 -6.907 -5.978 308 HB2 PHE 41 HB2 PHE 41 -1.515 -4.920 -7.156 309 HB3 PHE 41 HB3 PHE 41 -3.109 -4.465 -7.725 310 HD1 PHE 41 HD2 PHE 41 -4.824 -3.698 -6.028 311 HD2 PHE 41 HD1 PHE 41 -0.719 -4.174 -5.067 312 HE1 PHE 41 HE2 PHE 41 -5.127 -2.236 -4.010 313 HE2 PHE 41 HE1 PHE 41 -1.021 -2.712 -3.049 314 HZ PHE 41 HZ PHE 41 -3.222 -1.760 -2.545 315 H GLY 42 HN GLY 42 -3.911 -5.986 -4.271 316 HA2 GLY 42 HA1 GLY 42 -6.388 -5.061 -4.385 317 HA3 GLY 42 HA2 GLY 42 -6.668 -6.716 -4.885 318 H LYS 43 HN LYS 43 -7.934 -6.016 -2.606 319 HA LYS 43 HA LYS 43 -6.883 -5.917 -0.204 320 HB2 LYS 43 HB2 LYS 43 -8.712 -7.820 0.328 321 HB3 LYS 43 HB3 LYS 43 -9.118 -6.150 -0.016 322 HG2 LYS 43 HG2 LYS 43 -9.983 -6.639 -2.099 323 HG3 LYS 43 HG3 LYS 43 -8.781 -7.870 -2.430 324 HD2 LYS 43 HD2 LYS 43 -10.291 -9.472 -1.900 325 HD3 LYS 43 HD3 LYS 43 -10.343 -8.867 -0.256 326 HE2 LYS 43 HE2 LYS 43 -12.260 -7.563 -0.640 327 HE3 LYS 43 HE3 LYS 43 -11.932 -7.386 -2.353 328 HZ1 LYS 43 HZ1 LYS 43 -13.674 -8.938 -2.239 329 HZ2 LYS 43 HZ2 LYS 43 -12.378 -9.901 -2.451 330 H GLU 44 HN GLU 44 -6.799 -8.844 -2.300 331 HA GLU 44 HA GLU 44 -5.951 -10.733 -0.682 332 HB2 GLU 44 HB2 GLU 44 -5.290 -9.989 -3.488 333 HB3 GLU 44 HB3 GLU 44 -4.173 -11.119 -2.750 334 HG2 GLU 44 HG2 GLU 44 -7.038 -11.735 -2.231 335 HG3 GLU 44 HG3 GLU 44 -6.587 -11.813 -3.923 336 HE2 GLU 44 HE2 GLU 44 -4.404 -14.285 -3.733 337 H MET 45 HN MET 45 -3.515 -8.604 -2.359 338 HA MET 45 HA MET 45 -1.554 -9.349 -0.447 339 HB2 MET 45 HB2 MET 45 -1.167 -8.803 -2.928 340 HB3 MET 45 HB3 MET 45 -1.500 -7.123 -2.558 341 HG2 MET 45 HG2 MET 45 0.570 -6.794 -1.636 342 HG3 MET 45 HG3 MET 45 0.500 -8.288 -0.722 343 HE1 MET 45 HE1 MET 45 0.005 -7.295 -4.249 344 HE2 MET 45 HE2 MET 45 1.361 -7.975 -5.180 345 HE3 MET 45 HE3 MET 45 -0.021 -9.006 -4.739 346 H ALA 46 HN ALA 46 -3.430 -6.355 -1.237 347 HA ALA 46 HA ALA 46 -2.248 -4.591 0.466 348 HB1 ALA 46 HB1 ALA 46 -3.913 -3.349 -0.385 349 HB2 ALA 46 HB2 ALA 46 -4.662 -4.823 -1.042 350 HB3 ALA 46 HB3 ALA 46 -5.103 -4.250 0.584 351 H HIS 47 HN HIS 47 -4.109 -7.471 1.226 352 HA HIS 47 HA HIS 47 -4.350 -6.584 3.996 353 HB2 HIS 47 HB2 HIS 47 -5.641 -8.891 2.513 354 HB3 HIS 47 HB3 HIS 47 -5.847 -8.573 4.224 355 HD1 HIS 47 HD1 HIS 47 -8.260 -8.542 2.254 356 HD2 HIS 47 HD2 HIS 47 -6.112 -5.139 3.435 357 HE1 HIS 47 HE1 HIS 47 -9.822 -6.555 1.906 358 H GLY 48 HN GLY 48 -3.310 -9.444 2.009 359 HA2 GLY 48 HA1 GLY 48 -2.109 -10.877 4.073 360 HA3 GLY 48 HA2 GLY 48 -1.724 -10.994 2.367 361 H LYS 49 HN LYS 49 0.526 -11.084 2.446 362 HA LYS 49 HA LYS 49 1.942 -9.185 4.091 363 HB2 LYS 49 HB2 LYS 49 3.923 -10.397 3.409 364 HB3 LYS 49 HB3 LYS 49 2.685 -11.524 3.927 365 HG2 LYS 49 HG2 LYS 49 2.111 -11.329 1.232 366 HG3 LYS 49 HG3 LYS 49 3.848 -11.101 1.214 367 HD2 LYS 49 HD2 LYS 49 3.524 -13.230 3.003 368 HD3 LYS 49 HD3 LYS 49 2.280 -13.538 1.808 369 HE2 LYS 49 HE2 LYS 49 3.868 -13.616 0.005 370 HE3 LYS 49 HE3 LYS 49 5.124 -12.858 0.965 371 HZ1 LYS 49 HZ1 LYS 49 5.594 -14.825 2.013 372 HZ2 LYS 49 HZ2 LYS 49 4.062 -15.374 1.996 373 H GLY 50 HN GLY 50 0.378 -7.701 2.443 374 HA2 GLY 50 HA1 GLY 50 2.124 -6.910 0.199 375 HA3 GLY 50 HA2 GLY 50 0.402 -6.609 0.324 376 H CYS 51 HN CYS 51 -0.199 -5.372 2.546 377 HA CYS 51 HA CYS 51 1.740 -3.183 2.754 378 HB2 CYS 51 HB2 CYS 51 -1.245 -2.930 3.131 379 HB3 CYS 51 HB3 CYS 51 -0.059 -1.642 3.058 380 H LYS 52 HN LYS 52 -1.014 -4.885 4.424 381 HA LYS 52 HA LYS 52 -0.360 -3.968 6.980 382 HB2 LYS 52 HB2 LYS 52 -1.763 -6.578 6.418 383 HB3 LYS 52 HB3 LYS 52 -2.003 -5.469 7.753 384 HG2 LYS 52 HG2 LYS 52 -2.556 -3.785 5.672 385 HG3 LYS 52 HG3 LYS 52 -3.024 -5.306 4.940 386 HD2 LYS 52 HD2 LYS 52 -4.034 -4.281 7.636 387 HD3 LYS 52 HD3 LYS 52 -4.927 -4.188 6.131 388 HE2 LYS 52 HE2 LYS 52 -5.699 -6.298 6.436 389 HE3 LYS 52 HE3 LYS 52 -4.058 -6.916 6.432 390 HZ1 LYS 52 HZ1 LYS 52 -4.479 -7.403 8.583 391 HZ2 LYS 52 HZ2 LYS 52 -4.291 -5.819 8.911 392 H GLY 53 HN GLY 53 1.094 -6.367 4.898 393 HA2 GLY 53 HA1 GLY 53 2.220 -8.049 6.872 394 HA3 GLY 53 HA2 GLY 53 2.747 -7.861 5.211 395 H CYS 54 HN CYS 54 3.636 -5.316 4.921 396 HA CYS 54 HA CYS 54 5.940 -5.326 6.648 397 HB2 CYS 54 HB2 CYS 54 6.107 -5.018 4.160 398 HB3 CYS 54 HB3 CYS 54 5.306 -3.468 4.333 399 H HIS 55 HN HIS 55 3.236 -4.716 7.762 400 HA HIS 55 HA HIS 55 3.773 -1.955 8.583 401 HB2 HIS 55 HB2 HIS 55 1.213 -3.285 7.773 402 HB3 HIS 55 HB3 HIS 55 1.159 -2.052 9.017 403 HD1 HIS 55 HD1 HIS 55 -0.343 -0.972 6.895 404 HD2 HIS 55 HD2 HIS 55 3.840 -0.972 6.585 405 HE1 HIS 55 HE1 HIS 55 0.243 0.772 5.127 406 H GLU 56 HN GLU 56 1.712 -4.779 9.596 407 HA GLU 56 HA GLU 56 1.776 -4.204 12.254 408 HB2 GLU 56 HB2 GLU 56 1.142 -6.544 10.569 409 HB3 GLU 56 HB3 GLU 56 1.674 -6.994 12.177 410 HG2 GLU 56 HG2 GLU 56 -0.005 -5.291 13.104 411 HG3 GLU 56 HG3 GLU 56 -0.620 -5.108 11.473 412 HE2 GLU 56 HE2 GLU 56 -2.257 -7.898 11.228 413 H GLU 57 HN GLU 57 4.052 -6.230 10.307 414 HA GLU 57 HA GLU 57 5.542 -7.232 12.344 415 HB2 GLU 57 HB2 GLU 57 6.027 -6.589 9.463 416 HB3 GLU 57 HB3 GLU 57 7.457 -6.867 10.436 417 HG2 GLU 57 HG2 GLU 57 5.602 -8.906 11.180 418 HG3 GLU 57 HG3 GLU 57 5.524 -8.804 9.433 419 HE2 GLU 57 HE2 GLU 57 7.615 -11.212 10.273 420 H MET 58 HN MET 58 5.394 -3.933 11.085 421 HA MET 58 HA MET 58 7.766 -3.247 12.611 422 HB2 MET 58 HB2 MET 58 6.098 -1.374 10.867 423 HB3 MET 58 HB3 MET 58 7.791 -1.214 11.292 424 HG2 MET 58 HG2 MET 58 8.108 -3.490 10.010 425 HG3 MET 58 HG3 MET 58 6.525 -3.164 9.331 426 HE1 MET 58 HE1 MET 58 9.967 -2.577 9.743 427 HE2 MET 58 HE2 MET 58 10.384 -2.168 8.062 428 HE3 MET 58 HE3 MET 58 10.313 -0.889 9.298 429 H LYS 59 HN LYS 59 4.350 -3.353 12.882 430 HA LYS 59 HA LYS 59 2.899 -2.531 14.328 431 HB2 LYS 59 HB2 LYS 59 5.378 -2.022 15.999 432 HB3 LYS 59 HB3 LYS 59 3.734 -1.937 16.598 433 HG2 LYS 59 HG2 LYS 59 4.880 -4.420 15.244 434 HG3 LYS 59 HG3 LYS 59 4.937 -4.168 16.977 435 HD2 LYS 59 HD2 LYS 59 2.319 -3.729 16.699 436 HD3 LYS 59 HD3 LYS 59 2.526 -4.625 15.208 437 HE2 LYS 59 HE2 LYS 59 3.783 -5.827 17.653 438 HE3 LYS 59 HE3 LYS 59 2.031 -5.819 17.612 439 HZ1 LYS 59 HZ1 LYS 59 2.234 -7.624 16.303 440 HZ2 LYS 59 HZ2 LYS 59 2.764 -6.659 15.103 441 H LYS 60 HN LYS 60 3.225 -0.887 12.237 442 HA LYS 60 HA LYS 60 2.552 1.623 13.329 443 HB2 LYS 60 HB2 LYS 60 5.371 1.192 12.651 444 HB3 LYS 60 HB3 LYS 60 4.665 2.542 11.784 445 HG2 LYS 60 HG2 LYS 60 3.929 2.394 14.672 446 HG3 LYS 60 HG3 LYS 60 5.630 2.681 14.365 447 HD2 LYS 60 HD2 LYS 60 3.690 4.298 12.740 448 HD3 LYS 60 HD3 LYS 60 3.780 4.677 14.449 449 HE2 LYS 60 HE2 LYS 60 6.437 4.576 13.945 450 HE3 LYS 60 HE3 LYS 60 5.896 4.961 12.323 451 HZ1 LYS 60 HZ1 LYS 60 5.994 6.672 14.590 452 HZ2 LYS 60 HZ2 LYS 60 5.729 7.073 13.035 453 H GLY 61 HN GLY 61 1.138 2.567 11.932 454 HA2 GLY 61 HA1 GLY 61 0.791 3.249 9.603 455 HA3 GLY 61 HA2 GLY 61 1.219 1.617 9.129 456 HA PRO 62 HA PRO 62 -3.440 2.116 9.783 457 HB2 PRO 62 HB2 PRO 62 -4.199 1.656 7.203 458 HB3 PRO 62 HB3 PRO 62 -3.652 3.272 7.759 459 HG2 PRO 62 HG2 PRO 62 -1.953 1.230 6.391 460 HG3 PRO 62 HG3 PRO 62 -2.141 2.955 5.935 461 HD2 PRO 62 HD2 PRO 62 -0.066 2.178 7.475 462 HD3 PRO 62 HD3 PRO 62 -0.966 3.664 7.906 463 H THR 63 HN THR 63 -3.408 0.138 11.029 464 HA THR 63 HA THR 63 -3.196 -2.306 9.404 465 HB THR 63 HB THR 63 -2.903 -3.280 11.830 466 HG1 THR 63 HG1 THR 63 -2.550 -1.643 13.365 467 HG21 THR 63 HG21 THR 63 -1.012 -2.577 10.042 468 HG22 THR 63 HG22 THR 63 -0.706 -1.292 11.235 469 HG23 THR 63 HG23 THR 63 -0.576 -3.001 11.715 470 H LYS 64 HN LYS 64 -5.427 -0.173 10.860 471 HA LYS 64 HA LYS 64 -7.352 -2.334 11.269 472 HB2 LYS 64 HB2 LYS 64 -7.681 0.589 11.981 473 HB3 LYS 64 HB3 LYS 64 -8.635 -0.770 12.541 474 HG2 LYS 64 HG2 LYS 64 -7.184 -0.437 14.356 475 HG3 LYS 64 HG3 LYS 64 -6.350 -1.698 13.470 476 HD2 LYS 64 HD2 LYS 64 -4.689 -0.243 12.670 477 HD3 LYS 64 HD3 LYS 64 -5.725 1.167 12.762 478 HE2 LYS 64 HE2 LYS 64 -5.258 -0.084 15.406 479 HE3 LYS 64 HE3 LYS 64 -3.776 0.450 14.636 480 HZ1 LYS 64 HZ1 LYS 64 -6.121 2.091 15.359 481 HZ2 LYS 64 HZ2 LYS 64 -4.559 2.343 15.743 482 H CYS 65 HN CYS 65 -9.636 -1.874 10.454 483 HA CYS 65 HA CYS 65 -9.410 -1.270 7.674 484 HB2 CYS 65 HB2 CYS 65 -12.089 -1.651 8.872 485 HB3 CYS 65 HB3 CYS 65 -11.390 -2.333 7.418 486 H GLY 66 HN GLY 66 -9.671 0.580 10.476 487 HA2 GLY 66 HA1 GLY 66 -11.457 2.591 9.288 488 HA3 GLY 66 HA2 GLY 66 -10.949 2.493 10.962 489 H GLU 67 HN GLU 67 -8.248 1.758 9.055 490 HA GLU 67 HA GLU 67 -7.386 4.535 9.248 491 HB2 GLU 67 HB2 GLU 67 -6.239 2.399 10.455 492 HB3 GLU 67 HB3 GLU 67 -5.393 2.315 8.923 493 HG2 GLU 67 HG2 GLU 67 -4.035 4.009 9.568 494 HG3 GLU 67 HG3 GLU 67 -5.417 5.078 9.700 495 HE2 GLU 67 HE2 GLU 67 -4.549 2.280 11.578 496 H CYS 68 HN CYS 68 -7.355 1.562 7.203 497 HA CYS 68 HA CYS 68 -6.175 3.030 5.023 498 HB2 CYS 68 HB2 CYS 68 -6.735 0.184 5.638 499 HB3 CYS 68 HB3 CYS 68 -6.883 0.625 3.948 500 H HIS 69 HN HIS 69 -9.264 1.273 5.803 501 HA HIS 69 HA HIS 69 -10.512 2.510 3.506 502 HB2 HIS 69 HB2 HIS 69 -11.539 0.495 5.523 503 HB3 HIS 69 HB3 HIS 69 -12.449 1.080 4.145 504 HD1 HIS 69 HD1 HIS 69 -11.100 0.652 1.710 505 HD2 HIS 69 HD2 HIS 69 -10.130 -1.781 4.987 506 HE1 HIS 69 HE1 HIS 69 -9.966 -1.423 0.750 507 H LYS 70 HN LYS 70 -10.236 4.733 4.381 508 HA LYS 70 HA LYS 70 -12.608 5.517 5.745 509 HB2 LYS 70 HB2 LYS 70 -10.804 4.727 7.528 510 HB3 LYS 70 HB3 LYS 70 -10.140 6.322 7.238 511 HG2 LYS 70 HG2 LYS 70 -11.711 7.190 8.621 512 HG3 LYS 70 HG3 LYS 70 -12.945 6.721 7.468 513 HD2 LYS 70 HD2 LYS 70 -12.441 4.302 8.712 514 HD3 LYS 70 HD3 LYS 70 -12.155 5.421 10.030 515 HE2 LYS 70 HE2 LYS 70 -14.436 6.522 9.267 516 HE3 LYS 70 HE3 LYS 70 -14.701 5.004 8.432 517 HZ1 LYS 70 HZ1 LYS 70 -15.435 4.278 10.424 518 HZ2 LYS 70 HZ2 LYS 70 -13.884 4.228 10.919 519 H LYS 71 HN LYS 71 -12.689 6.463 3.550 520 HA LYS 71 HA LYS 71 -10.849 8.133 2.457 521 HB2 LYS 71 HB2 LYS 71 -12.462 8.544 0.949 522 HB3 LYS 71 HB3 LYS 71 -13.370 7.333 1.831 523 HG2 LYS 71 HG2 LYS 71 -14.918 9.065 1.870 524 HG3 LYS 71 HG3 LYS 71 -14.065 9.415 3.360 525 HD2 LYS 71 HD2 LYS 71 -12.683 11.107 2.261 526 HD3 LYS 71 HD3 LYS 71 -13.288 10.651 0.680 527 HE2 LYS 71 HE2 LYS 71 -14.845 11.987 2.937 528 HE3 LYS 71 HE3 LYS 71 -14.471 12.660 1.362 529 HZ1 LYS 71 HZ1 LYS 71 -15.796 10.553 0.552 530 HZ2 LYS 71 HZ2 LYS 71 -16.465 10.616 2.036 Start of MODEL 5 1 H1 ALA 1 HN ALA 1 0.644 16.465 -7.317 2 HA ALA 1 HA ALA 1 -0.004 15.056 -5.690 3 HB1 ALA 1 HB1 ALA 1 -1.944 13.715 -6.414 4 HB2 ALA 1 HB2 ALA 1 -1.954 15.318 -7.187 5 HB3 ALA 1 HB3 ALA 1 -1.437 13.888 -8.111 6 H ASP 2 HN ASP 2 2.443 14.282 -5.846 7 HA ASP 2 HA ASP 2 3.177 11.985 -7.029 8 HB2 ASP 2 HB2 ASP 2 3.922 12.571 -4.141 9 HB3 ASP 2 HB3 ASP 2 4.920 11.834 -5.378 10 HD2 ASP 2 HD2 ASP 2 4.280 13.940 -7.331 11 H ASP 3 HN ASP 3 0.872 12.496 -4.431 12 HA ASP 3 HA ASP 3 1.071 10.070 -3.125 13 HB2 ASP 3 HB2 ASP 3 -0.298 12.240 -2.574 14 HB3 ASP 3 HB3 ASP 3 -1.548 11.546 -3.587 15 HD2 ASP 3 HD2 ASP 3 -3.071 10.163 -1.984 16 H ILE 4 HN ILE 4 -1.303 8.690 -3.184 17 HA ILE 4 HA ILE 4 -2.225 8.303 -5.871 18 HB ILE 4 HB ILE 4 -0.428 6.292 -4.538 19 HG12 ILE 4 HG12 ILE 4 -0.393 7.869 -7.091 20 HG13 ILE 4 HG13 ILE 4 0.876 7.640 -5.904 21 HG21 ILE 4 HG21 ILE 4 -2.346 5.782 -6.829 22 HG22 ILE 4 HG22 ILE 4 -1.117 4.653 -6.210 23 HG23 ILE 4 HG23 ILE 4 -2.486 5.131 -5.179 24 HD11 ILE 4 HD11 ILE 4 0.797 5.118 -6.589 25 HD12 ILE 4 HD12 ILE 4 -0.102 5.691 -8.014 26 HD13 ILE 4 HD13 ILE 4 1.554 6.270 -7.715 27 H VAL 5 HN VAL 5 -4.348 7.747 -5.790 28 HA VAL 5 HA VAL 5 -5.301 6.712 -3.209 29 HB VAL 5 HB VAL 5 -6.844 8.361 -5.214 30 HG11 VAL 5 HG11 VAL 5 -7.471 7.034 -2.662 31 HG12 VAL 5 HG12 VAL 5 -7.972 8.740 -2.735 32 HG13 VAL 5 HG13 VAL 5 -8.549 7.589 -3.964 33 HG21 VAL 5 HG21 VAL 5 -5.553 9.359 -2.655 34 HG22 VAL 5 HG22 VAL 5 -4.872 9.601 -4.281 35 HG23 VAL 5 HG23 VAL 5 -6.449 10.311 -3.862 36 H PHE 6 HN PHE 6 -6.749 4.959 -3.223 37 HA PHE 6 HA PHE 6 -7.139 3.755 -5.872 38 HB2 PHE 6 HB2 PHE 6 -6.522 2.560 -3.106 39 HB3 PHE 6 HB3 PHE 6 -6.998 1.571 -4.472 40 HD1 PHE 6 HD2 PHE 6 -5.483 1.273 -6.380 41 HD2 PHE 6 HD1 PHE 6 -4.308 3.510 -2.971 42 HE1 PHE 6 HE2 PHE 6 -3.085 1.121 -7.107 43 HE2 PHE 6 HE1 PHE 6 -1.910 3.358 -3.698 44 HZ PHE 6 HZ PHE 6 -1.328 2.166 -5.758 45 H LYS 7 HN LYS 7 -9.280 4.172 -6.315 46 HA LYS 7 HA LYS 7 -11.287 4.645 -4.573 47 HB2 LYS 7 HB2 LYS 7 -11.192 3.452 -7.325 48 HB3 LYS 7 HB3 LYS 7 -12.722 3.503 -6.473 49 HG2 LYS 7 HG2 LYS 7 -11.075 6.020 -6.456 50 HG3 LYS 7 HG3 LYS 7 -11.815 5.570 -7.979 51 HD2 LYS 7 HD2 LYS 7 -13.595 6.752 -7.106 52 HD3 LYS 7 HD3 LYS 7 -13.971 5.197 -6.390 53 HE2 LYS 7 HE2 LYS 7 -13.089 5.817 -4.262 54 HE3 LYS 7 HE3 LYS 7 -12.145 7.134 -4.929 55 HZ1 LYS 7 HZ1 LYS 7 -13.882 8.478 -4.535 56 HZ2 LYS 7 HZ2 LYS 7 -14.838 7.624 -5.539 57 H ALA 8 HN ALA 8 -12.363 3.552 -3.013 58 HA ALA 8 HA ALA 8 -12.226 0.620 -3.127 59 HB1 ALA 8 HB1 ALA 8 -11.098 0.577 -1.186 60 HB2 ALA 8 HB2 ALA 8 -10.976 2.352 -1.242 61 HB3 ALA 8 HB3 ALA 8 -12.347 1.580 -0.410 62 H LYS 9 HN LYS 9 -14.065 -0.473 -2.146 63 HA LYS 9 HA LYS 9 -16.459 1.134 -2.411 64 HB2 LYS 9 HB2 LYS 9 -16.291 -1.834 -1.862 65 HB3 LYS 9 HB3 LYS 9 -17.628 -0.932 -2.547 66 HG2 LYS 9 HG2 LYS 9 -15.742 -0.262 -4.370 67 HG3 LYS 9 HG3 LYS 9 -15.044 -1.779 -3.839 68 HD2 LYS 9 HD2 LYS 9 -16.494 -2.288 -5.707 69 HD3 LYS 9 HD3 LYS 9 -17.287 -2.895 -4.267 70 HE2 LYS 9 HE2 LYS 9 -18.783 -0.964 -4.183 71 HE3 LYS 9 HE3 LYS 9 -17.883 -0.141 -5.441 72 HZ1 LYS 9 HZ1 LYS 9 -19.334 -2.704 -5.839 73 HZ2 LYS 9 HZ2 LYS 9 -19.888 -1.246 -6.308 74 H ASN 10 HN ASN 10 -14.356 1.169 -0.072 75 HA ASN 10 HA ASN 10 -16.416 1.286 1.933 76 HB2 ASN 10 HB2 ASN 10 -14.179 -0.701 1.897 77 HB3 ASN 10 HB3 ASN 10 -14.365 0.152 3.417 78 HD21 ASN 10 HD21 ASN 10 -14.891 -1.979 4.221 79 HD22 ASN 10 HD22 ASN 10 -16.514 -2.575 4.119 80 H GLY 11 HN GLY 11 -14.580 3.102 0.302 81 HA2 GLY 11 HA1 GLY 11 -13.946 5.237 1.219 82 HA3 GLY 11 HA2 GLY 11 -13.207 4.405 2.572 83 H ASP 12 HN ASP 12 -12.271 6.221 0.137 84 HA ASP 12 HA ASP 12 -10.642 4.770 -1.485 85 HB2 ASP 12 HB2 ASP 12 -10.896 7.561 -0.597 86 HB3 ASP 12 HB3 ASP 12 -9.222 7.153 -0.919 87 HD2 ASP 12 HD2 ASP 12 -11.587 8.557 -2.228 88 H VAL 13 HN VAL 13 -8.393 4.111 -1.332 89 HA VAL 13 HA VAL 13 -7.360 4.120 1.417 90 HB VAL 13 HB VAL 13 -7.259 2.156 -0.844 91 HG11 VAL 13 HG11 VAL 13 -5.531 0.946 0.739 92 HG12 VAL 13 HG12 VAL 13 -4.982 2.131 -0.470 93 HG13 VAL 13 HG13 VAL 13 -5.144 2.611 1.237 94 HG21 VAL 13 HG21 VAL 13 -8.210 0.674 0.644 95 HG22 VAL 13 HG22 VAL 13 -7.499 1.472 2.067 96 HG23 VAL 13 HG23 VAL 13 -8.887 2.211 1.234 97 H LYS 14 HN LYS 14 -5.969 5.812 1.636 98 HA LYS 14 HA LYS 14 -4.473 6.746 -0.619 99 HB2 LYS 14 HB2 LYS 14 -5.352 7.792 1.852 100 HB3 LYS 14 HB3 LYS 14 -3.602 7.809 1.927 101 HG2 LYS 14 HG2 LYS 14 -4.097 8.693 -0.676 102 HG3 LYS 14 HG3 LYS 14 -5.428 9.399 0.219 103 HD2 LYS 14 HD2 LYS 14 -2.816 9.634 1.610 104 HD3 LYS 14 HD3 LYS 14 -2.854 10.451 0.061 105 HE2 LYS 14 HE2 LYS 14 -4.146 12.124 0.895 106 HE3 LYS 14 HE3 LYS 14 -5.337 10.983 1.488 107 HZ1 LYS 14 HZ1 LYS 14 -3.506 12.422 3.012 108 HZ2 LYS 14 HZ2 LYS 14 -4.557 11.302 3.555 109 H PHE 15 HN PHE 15 -2.204 6.637 -0.930 110 HA PHE 15 HA PHE 15 -0.708 4.978 0.914 111 HB2 PHE 15 HB2 PHE 15 -1.838 3.499 -0.855 112 HB3 PHE 15 HB3 PHE 15 -1.033 4.434 -2.099 113 HD1 PHE 15 HD2 PHE 15 0.752 3.698 0.994 114 HD2 PHE 15 HD1 PHE 15 0.006 2.402 -2.977 115 HE1 PHE 15 HE2 PHE 15 2.733 2.162 1.123 116 HE2 PHE 15 HE1 PHE 15 1.987 0.866 -2.848 117 HZ PHE 15 HZ PHE 15 3.327 0.765 -0.800 118 HA PRO 16 HA PRO 16 1.893 8.448 -0.243 119 HB2 PRO 16 HB2 PRO 16 3.632 7.181 1.841 120 HB3 PRO 16 HB3 PRO 16 2.932 8.830 1.750 121 HG2 PRO 16 HG2 PRO 16 2.045 6.960 3.495 122 HG3 PRO 16 HG3 PRO 16 1.047 8.269 2.781 123 HD2 PRO 16 HD2 PRO 16 1.250 5.319 2.052 124 HD3 PRO 16 HD3 PRO 16 -0.187 6.386 2.058 125 H HIS 17 HN HIS 17 2.513 7.662 -2.373 126 HA HIS 17 HA HIS 17 4.163 5.382 -2.608 127 HB2 HIS 17 HB2 HIS 17 2.583 6.331 -4.343 128 HB3 HIS 17 HB3 HIS 17 3.756 7.601 -4.627 129 HD1 HIS 17 HD1 HIS 17 5.613 7.100 -6.260 130 HD2 HIS 17 HD2 HIS 17 3.645 3.636 -4.948 131 HE1 HIS 17 HE1 HIS 17 6.538 5.179 -7.661 132 H LYS 18 HN LYS 18 4.801 8.940 -3.015 133 HA LYS 18 HA LYS 18 7.550 8.663 -3.330 134 HB2 LYS 18 HB2 LYS 18 6.174 10.663 -3.909 135 HB3 LYS 18 HB3 LYS 18 6.019 11.025 -2.202 136 HG2 LYS 18 HG2 LYS 18 8.616 10.965 -2.114 137 HG3 LYS 18 HG3 LYS 18 8.571 10.980 -3.865 138 HD2 LYS 18 HD2 LYS 18 7.142 13.087 -3.743 139 HD3 LYS 18 HD3 LYS 18 7.390 13.097 -2.008 140 HE2 LYS 18 HE2 LYS 18 9.806 12.931 -3.824 141 HE3 LYS 18 HE3 LYS 18 9.007 14.478 -3.621 142 HZ1 LYS 18 HZ1 LYS 18 9.607 12.969 -1.185 143 HZ2 LYS 18 HZ2 LYS 18 10.867 13.664 -1.947 144 H ALA 19 HN ALA 19 5.508 9.125 -0.389 145 HA ALA 19 HA ALA 19 7.602 9.420 1.416 146 HB1 ALA 19 HB1 ALA 19 5.860 9.632 2.825 147 HB2 ALA 19 HB2 ALA 19 4.791 9.294 1.443 148 HB3 ALA 19 HB3 ALA 19 5.322 7.966 2.504 149 H HIS 20 HN HIS 20 5.860 6.468 0.243 150 HA HIS 20 HA HIS 20 7.365 4.721 1.853 151 HB2 HIS 20 HB2 HIS 20 5.472 4.460 -0.449 152 HB3 HIS 20 HB3 HIS 20 6.475 3.080 -0.047 153 HD1 HIS 20 HD1 HIS 20 3.821 5.337 1.490 154 HD2 HIS 20 HD2 HIS 20 5.665 1.633 2.179 155 HE1 HIS 20 HE1 HIS 20 2.508 4.224 3.375 156 H GLN 21 HN GLN 21 8.145 6.575 -0.933 157 HA GLN 21 HA GLN 21 10.042 4.679 -1.934 158 HB2 GLN 21 HB2 GLN 21 9.380 7.554 -2.694 159 HB3 GLN 21 HB3 GLN 21 10.630 6.622 -3.493 160 HG2 GLN 21 HG2 GLN 21 8.057 5.165 -3.269 161 HG3 GLN 21 HG3 GLN 21 7.931 6.648 -4.195 162 HE21 GLN 21 HE21 GLN 21 7.820 5.961 -6.219 163 HE22 GLN 21 HE22 GLN 21 8.994 4.986 -7.038 164 H LYS 22 HN LYS 22 9.901 6.953 0.612 165 HA LYS 22 HA LYS 22 12.807 7.343 0.528 166 HB2 LYS 22 HB2 LYS 22 10.801 9.210 0.820 167 HB3 LYS 22 HB3 LYS 22 11.253 8.900 2.484 168 HG2 LYS 22 HG2 LYS 22 13.733 9.043 1.200 169 HG3 LYS 22 HG3 LYS 22 12.789 10.241 0.336 170 HD2 LYS 22 HD2 LYS 22 12.960 11.686 2.074 171 HD3 LYS 22 HD3 LYS 22 12.215 10.524 3.154 172 HE2 LYS 22 HE2 LYS 22 14.242 9.782 3.991 173 HE3 LYS 22 HE3 LYS 22 15.069 9.964 2.457 174 HZ1 LYS 22 HZ1 LYS 22 14.367 12.162 4.325 175 HZ2 LYS 22 HZ2 LYS 22 15.867 11.642 3.963 176 H ALA 23 HN ALA 23 10.127 5.762 2.136 177 HA ALA 23 HA ALA 23 11.658 5.273 4.540 178 HB1 ALA 23 HB1 ALA 23 8.864 4.944 3.584 179 HB2 ALA 23 HB2 ALA 23 9.436 3.697 4.718 180 HB3 ALA 23 HB3 ALA 23 9.478 5.414 5.187 181 H VAL 24 HN VAL 24 10.349 3.444 1.699 182 HA VAL 24 HA VAL 24 12.021 1.185 2.510 183 HB VAL 24 HB VAL 24 9.787 1.414 0.483 184 HG11 VAL 24 HG11 VAL 24 11.100 -1.114 1.520 185 HG12 VAL 24 HG12 VAL 24 9.915 -0.952 0.201 186 HG13 VAL 24 HG13 VAL 24 11.566 -0.319 -0.003 187 HG21 VAL 24 HG21 VAL 24 9.463 1.486 3.160 188 HG22 VAL 24 HG22 VAL 24 8.306 0.705 2.055 189 HG23 VAL 24 HG23 VAL 24 9.517 -0.276 2.915 190 HA PRO 25 HA PRO 25 14.869 2.257 -0.674 191 HB2 PRO 25 HB2 PRO 25 16.546 0.146 -0.419 192 HB3 PRO 25 HB3 PRO 25 16.344 1.333 0.911 193 HG2 PRO 25 HG2 PRO 25 15.006 -1.527 0.901 194 HG3 PRO 25 HG3 PRO 25 15.919 -0.386 1.941 195 HD2 PRO 25 HD2 PRO 25 13.038 -0.607 1.577 196 HD3 PRO 25 HD3 PRO 25 13.923 0.608 2.549 197 H ASP 26 HN ASP 26 15.306 -1.224 -1.051 198 HA ASP 26 HA ASP 26 15.017 -1.259 -3.691 199 HB2 ASP 26 HB2 ASP 26 15.774 -3.205 -2.416 200 HB3 ASP 26 HB3 ASP 26 14.202 -3.390 -1.666 201 HD2 ASP 26 HD2 ASP 26 14.177 -5.487 -2.448 202 H CYS 27 HN CYS 27 13.292 -1.099 -5.163 203 HA CYS 27 HA CYS 27 10.665 -0.724 -4.024 204 HB2 CYS 27 HB2 CYS 27 11.695 -0.368 -6.846 205 HB3 CYS 27 HB3 CYS 27 10.053 -0.035 -6.332 206 H LYS 28 HN LYS 28 12.643 -3.128 -5.634 207 HA LYS 28 HA LYS 28 10.837 -4.594 -7.059 208 HB2 LYS 28 HB2 LYS 28 13.185 -5.507 -5.376 209 HB3 LYS 28 HB3 LYS 28 12.325 -6.545 -6.495 210 HG2 LYS 28 HG2 LYS 28 12.972 -4.049 -7.834 211 HG3 LYS 28 HG3 LYS 28 14.423 -4.683 -7.084 212 HD2 LYS 28 HD2 LYS 28 13.419 -6.991 -8.167 213 HD3 LYS 28 HD3 LYS 28 12.778 -5.826 -9.309 214 HE2 LYS 28 HE2 LYS 28 14.876 -5.229 -10.106 215 HE3 LYS 28 HE3 LYS 28 15.656 -5.461 -8.554 216 HZ1 LYS 28 HZ1 LYS 28 14.761 -7.968 -9.369 217 HZ2 LYS 28 HZ2 LYS 28 15.458 -7.306 -10.685 218 H LYS 29 HN LYS 29 10.971 -4.027 -3.606 219 HA LYS 29 HA LYS 29 9.648 -6.331 -2.740 220 HB2 LYS 29 HB2 LYS 29 9.865 -3.535 -1.601 221 HB3 LYS 29 HB3 LYS 29 9.049 -4.841 -0.766 222 HG2 LYS 29 HG2 LYS 29 11.947 -4.955 -1.729 223 HG3 LYS 29 HG3 LYS 29 11.464 -4.574 -0.088 224 HD2 LYS 29 HD2 LYS 29 10.088 -6.986 -0.802 225 HD3 LYS 29 HD3 LYS 29 11.745 -7.181 -1.340 226 HE2 LYS 29 HE2 LYS 29 12.160 -6.068 1.147 227 HE3 LYS 29 HE3 LYS 29 10.668 -6.941 1.437 228 HZ1 LYS 29 HZ1 LYS 29 13.277 -8.036 0.626 229 HZ2 LYS 29 HZ2 LYS 29 12.283 -8.552 1.808 230 H CYS 30 HN CYS 30 8.534 -3.317 -4.272 231 HA CYS 30 HA CYS 30 5.792 -4.302 -3.978 232 HB2 CYS 30 HB2 CYS 30 6.826 -1.487 -4.442 233 HB3 CYS 30 HB3 CYS 30 5.134 -1.934 -4.545 234 H HIS 31 HN HIS 31 8.419 -3.250 -6.157 235 HA HIS 31 HA HIS 31 6.711 -3.986 -8.422 236 HB2 HIS 31 HB2 HIS 31 9.038 -2.046 -8.318 237 HB3 HIS 31 HB3 HIS 31 8.206 -2.530 -9.782 238 HD1 HIS 31 HD1 HIS 31 5.387 -2.093 -9.531 239 HD2 HIS 31 HD2 HIS 31 8.045 0.283 -7.320 240 HE1 HIS 31 HE1 HIS 31 4.097 0.012 -8.886 241 H GLU 32 HN GLU 32 7.548 -6.193 -7.350 242 HA GLU 32 HA GLU 32 10.157 -6.945 -7.624 243 HB2 GLU 32 HB2 GLU 32 9.186 -9.304 -7.799 244 HB3 GLU 32 HB3 GLU 32 8.663 -8.366 -6.415 245 HG2 GLU 32 HG2 GLU 32 6.531 -8.816 -7.061 246 HG3 GLU 32 HG3 GLU 32 6.781 -7.677 -8.369 247 HE2 GLU 32 HE2 GLU 32 6.289 -11.269 -8.118 248 H LYS 33 HN LYS 33 7.483 -6.950 -10.039 249 HA LYS 33 HA LYS 33 9.296 -8.018 -12.043 250 HB2 LYS 33 HB2 LYS 33 7.385 -8.392 -13.371 251 HB3 LYS 33 HB3 LYS 33 6.916 -8.831 -11.741 252 HG2 LYS 33 HG2 LYS 33 5.290 -7.245 -11.696 253 HG3 LYS 33 HG3 LYS 33 6.416 -5.990 -12.176 254 HD2 LYS 33 HD2 LYS 33 5.280 -5.917 -14.146 255 HD3 LYS 33 HD3 LYS 33 6.092 -7.418 -14.547 256 HE2 LYS 33 HE2 LYS 33 3.679 -7.741 -12.824 257 HE3 LYS 33 HE3 LYS 33 3.349 -7.108 -14.425 258 HZ1 LYS 33 HZ1 LYS 33 4.031 -9.757 -13.720 259 HZ2 LYS 33 HZ2 LYS 33 3.583 -9.195 -15.181 260 H GLY 34 HN GLY 34 10.086 -5.521 -10.938 261 HA2 GLY 34 HA1 GLY 34 10.960 -3.609 -11.777 262 HA3 GLY 34 HA2 GLY 34 10.267 -3.978 -13.344 263 HA PRO 35 HA PRO 35 8.133 -0.438 -10.798 264 HB2 PRO 35 HB2 PRO 35 8.768 1.446 -12.802 265 HB3 PRO 35 HB3 PRO 35 9.664 1.197 -11.269 266 HG2 PRO 35 HG2 PRO 35 10.208 0.019 -13.968 267 HG3 PRO 35 HG3 PRO 35 11.531 0.701 -12.968 268 HD2 PRO 35 HD2 PRO 35 11.245 -1.906 -12.899 269 HD3 PRO 35 HD3 PRO 35 11.206 -1.086 -11.309 270 H GLY 36 HN GLY 36 6.099 0.602 -11.555 271 HA2 GLY 36 HA1 GLY 36 4.776 0.991 -13.633 272 HA3 GLY 36 HA2 GLY 36 5.095 -0.688 -14.022 273 H LYS 37 HN LYS 37 2.648 -0.789 -14.053 274 HA LYS 37 HA LYS 37 1.315 -0.550 -11.532 275 HB2 LYS 37 HB2 LYS 37 -0.614 -0.752 -12.728 276 HB3 LYS 37 HB3 LYS 37 0.451 -0.215 -14.011 277 HG2 LYS 37 HG2 LYS 37 -0.253 -3.124 -13.394 278 HG3 LYS 37 HG3 LYS 37 -0.907 -2.179 -14.717 279 HD2 LYS 37 HD2 LYS 37 1.255 -2.018 -15.801 280 HD3 LYS 37 HD3 LYS 37 2.089 -2.625 -14.384 281 HE2 LYS 37 HE2 LYS 37 1.324 -4.849 -14.718 282 HE3 LYS 37 HE3 LYS 37 -0.029 -4.343 -15.711 283 HZ1 LYS 37 HZ1 LYS 37 2.740 -4.748 -16.493 284 HZ2 LYS 37 HZ2 LYS 37 1.385 -4.944 -17.374 285 H ILE 38 HN ILE 38 0.010 -2.447 -10.641 286 HA ILE 38 HA ILE 38 1.676 -4.861 -10.813 287 HB ILE 38 HB ILE 38 0.132 -3.766 -8.460 288 HG12 ILE 38 HG12 ILE 38 3.120 -4.100 -8.596 289 HG13 ILE 38 HG13 ILE 38 2.364 -2.661 -9.252 290 HG21 ILE 38 HG21 ILE 38 0.008 -6.031 -8.097 291 HG22 ILE 38 HG22 ILE 38 1.535 -6.368 -8.947 292 HG23 ILE 38 HG23 ILE 38 1.562 -5.648 -7.319 293 HD11 ILE 38 HD11 ILE 38 3.008 -2.288 -6.901 294 HD12 ILE 38 HD12 ILE 38 1.235 -2.254 -7.057 295 HD13 ILE 38 HD13 ILE 38 2.042 -3.696 -6.396 296 H GLU 39 HN GLU 39 0.599 -6.084 -12.327 297 HA GLU 39 HA GLU 39 -2.234 -6.100 -12.370 298 HB2 GLU 39 HB2 GLU 39 -0.886 -6.373 -14.428 299 HB3 GLU 39 HB3 GLU 39 -0.189 -7.854 -13.801 300 HG2 GLU 39 HG2 GLU 39 -2.935 -8.316 -13.538 301 HG3 GLU 39 HG3 GLU 39 -2.844 -7.398 -15.029 302 HE2 GLU 39 HE2 GLU 39 -2.482 -10.775 -15.997 303 H GLY 40 HN GLY 40 -3.272 -7.007 -10.619 304 HA2 GLY 40 HA1 GLY 40 -3.954 -9.368 -10.055 305 HA3 GLY 40 HA2 GLY 40 -2.264 -9.615 -9.661 306 H PHE 41 HN PHE 41 -2.428 -6.505 -8.834 307 HA PHE 41 HA PHE 41 -2.414 -6.907 -6.123 308 HB2 PHE 41 HB2 PHE 41 -1.576 -4.889 -7.339 309 HB3 PHE 41 HB3 PHE 41 -3.200 -4.505 -7.877 310 HD1 PHE 41 HD1 PHE 41 -4.916 -3.821 -6.144 311 HD2 PHE 41 HD2 PHE 41 -0.774 -4.106 -5.267 312 HE1 PHE 41 HE1 PHE 41 -5.246 -2.376 -4.119 313 HE2 PHE 41 HE2 PHE 41 -1.104 -2.661 -3.241 314 HZ PHE 41 HZ PHE 41 -3.336 -1.813 -2.691 315 H GLY 42 HN GLY 42 -3.938 -6.102 -4.432 316 HA2 GLY 42 HA1 GLY 42 -6.462 -5.284 -4.587 317 HA3 GLY 42 HA2 GLY 42 -6.647 -6.958 -5.072 318 H LYS 43 HN LYS 43 -7.926 -6.131 -2.766 319 HA LYS 43 HA LYS 43 -6.847 -6.031 -0.381 320 HB2 LYS 43 HB2 LYS 43 -8.712 -7.882 0.202 321 HB3 LYS 43 HB3 LYS 43 -9.085 -6.210 -0.166 322 HG2 LYS 43 HG2 LYS 43 -10.008 -6.720 -2.213 323 HG3 LYS 43 HG3 LYS 43 -8.811 -7.950 -2.566 324 HD2 LYS 43 HD2 LYS 43 -11.016 -9.003 -2.287 325 HD3 LYS 43 HD3 LYS 43 -9.950 -9.523 -0.997 326 HE2 LYS 43 HE2 LYS 43 -11.039 -7.312 0.190 327 HE3 LYS 43 HE3 LYS 43 -12.365 -7.751 -0.869 328 HZ1 LYS 43 HZ1 LYS 43 -11.131 -9.434 1.231 329 HZ2 LYS 43 HZ2 LYS 43 -12.689 -8.975 1.113 330 H GLU 44 HN GLU 44 -6.881 -9.003 -2.420 331 HA GLU 44 HA GLU 44 -6.053 -10.886 -0.798 332 HB2 GLU 44 HB2 GLU 44 -5.083 -10.172 -3.577 333 HB3 GLU 44 HB3 GLU 44 -4.440 -11.584 -2.763 334 HG2 GLU 44 HG2 GLU 44 -7.438 -11.110 -3.023 335 HG3 GLU 44 HG3 GLU 44 -6.522 -11.931 -4.271 336 HE2 GLU 44 HE2 GLU 44 -7.024 -12.657 -0.603 337 H MET 45 HN MET 45 -3.674 -8.641 -2.407 338 HA MET 45 HA MET 45 -1.683 -9.472 -0.524 339 HB2 MET 45 HB2 MET 45 -1.264 -8.981 -3.003 340 HB3 MET 45 HB3 MET 45 -1.605 -7.292 -2.684 341 HG2 MET 45 HG2 MET 45 0.460 -6.931 -1.768 342 HG3 MET 45 HG3 MET 45 0.378 -8.385 -0.792 343 HE1 MET 45 HE1 MET 45 -0.305 -8.011 -4.459 344 HE2 MET 45 HE2 MET 45 1.236 -7.134 -4.613 345 HE3 MET 45 HE3 MET 45 1.068 -8.767 -5.301 346 H ALA 46 HN ALA 46 -3.565 -6.494 -1.334 347 HA ALA 46 HA ALA 46 -2.351 -4.700 0.322 348 HB1 ALA 46 HB1 ALA 46 -3.976 -3.666 -0.891 349 HB2 ALA 46 HB2 ALA 46 -5.040 -5.094 -0.871 350 HB3 ALA 46 HB3 ALA 46 -4.987 -4.004 0.535 351 H HIS 47 HN HIS 47 -4.167 -7.579 1.150 352 HA HIS 47 HA HIS 47 -4.387 -6.642 3.908 353 HB2 HIS 47 HB2 HIS 47 -5.706 -8.976 2.493 354 HB3 HIS 47 HB3 HIS 47 -5.902 -8.599 4.193 355 HD1 HIS 47 HD1 HIS 47 -8.284 -8.609 2.127 356 HD2 HIS 47 HD2 HIS 47 -6.189 -5.203 3.396 357 HE1 HIS 47 HE1 HIS 47 -9.846 -6.627 1.749 358 H GLY 48 HN GLY 48 -3.359 -9.507 1.927 359 HA2 GLY 48 HA1 GLY 48 -2.153 -10.937 3.994 360 HA3 GLY 48 HA2 GLY 48 -1.779 -11.063 2.287 361 H LYS 49 HN LYS 49 0.463 -11.116 2.287 362 HA LYS 49 HA LYS 49 1.899 -9.229 3.937 363 HB2 LYS 49 HB2 LYS 49 2.541 -11.682 2.378 364 HB3 LYS 49 HB3 LYS 49 3.821 -10.496 2.532 365 HG2 LYS 49 HG2 LYS 49 4.213 -11.596 4.517 366 HG3 LYS 49 HG3 LYS 49 2.974 -10.509 5.113 367 HD2 LYS 49 HD2 LYS 49 1.964 -12.450 5.807 368 HD3 LYS 49 HD3 LYS 49 1.378 -12.507 4.156 369 HE2 LYS 49 HE2 LYS 49 2.708 -14.295 3.611 370 HE3 LYS 49 HE3 LYS 49 4.099 -13.643 4.454 371 HZ1 LYS 49 HZ1 LYS 49 2.008 -15.392 5.485 372 HZ2 LYS 49 HZ2 LYS 49 3.591 -15.353 5.863 373 H GLY 50 HN GLY 50 0.305 -7.758 2.296 374 HA2 GLY 50 HA1 GLY 50 2.020 -6.964 0.031 375 HA3 GLY 50 HA2 GLY 50 0.301 -6.658 0.187 376 H CYS 51 HN CYS 51 -0.267 -5.408 2.401 377 HA CYS 51 HA CYS 51 1.685 -3.229 2.581 378 HB2 CYS 51 HB2 CYS 51 -1.294 -2.969 3.000 379 HB3 CYS 51 HB3 CYS 51 -0.107 -1.682 2.916 380 H LYS 52 HN LYS 52 -1.047 -4.921 4.297 381 HA LYS 52 HA LYS 52 -0.353 -4.001 6.841 382 HB2 LYS 52 HB2 LYS 52 -1.774 -6.605 6.279 383 HB3 LYS 52 HB3 LYS 52 -1.973 -5.524 7.644 384 HG2 LYS 52 HG2 LYS 52 -2.614 -3.766 5.706 385 HG3 LYS 52 HG3 LYS 52 -2.994 -5.230 4.821 386 HD2 LYS 52 HD2 LYS 52 -4.968 -4.304 6.075 387 HD3 LYS 52 HD3 LYS 52 -4.577 -5.949 6.536 388 HE2 LYS 52 HE2 LYS 52 -3.128 -3.935 8.152 389 HE3 LYS 52 HE3 LYS 52 -4.869 -3.787 8.288 390 HZ1 LYS 52 HZ1 LYS 52 -4.954 -5.690 9.469 391 HZ2 LYS 52 HZ2 LYS 52 -4.021 -6.521 8.424 392 H GLY 53 HN GLY 53 1.083 -6.386 4.738 393 HA2 GLY 53 HA1 GLY 53 2.239 -8.062 6.709 394 HA3 GLY 53 HA2 GLY 53 2.728 -7.896 5.034 395 H CYS 54 HN CYS 54 3.527 -5.266 4.767 396 HA CYS 54 HA CYS 54 5.920 -5.297 6.376 397 HB2 CYS 54 HB2 CYS 54 5.857 -4.901 3.845 398 HB3 CYS 54 HB3 CYS 54 5.218 -3.309 4.203 399 H HIS 55 HN HIS 55 3.180 -4.708 7.530 400 HA HIS 55 HA HIS 55 3.765 -1.987 8.450 401 HB2 HIS 55 HB2 HIS 55 1.163 -3.280 7.685 402 HB3 HIS 55 HB3 HIS 55 1.177 -2.025 8.909 403 HD1 HIS 55 HD1 HIS 55 -0.368 -1.018 6.741 404 HD2 HIS 55 HD2 HIS 55 3.816 -0.978 6.453 405 HE1 HIS 55 HE1 HIS 55 0.208 0.701 4.946 406 H GLU 56 HN GLU 56 1.685 -4.818 9.403 407 HA GLU 56 HA GLU 56 1.813 -4.328 12.080 408 HB2 GLU 56 HB2 GLU 56 1.080 -6.591 10.331 409 HB3 GLU 56 HB3 GLU 56 1.639 -7.111 11.908 410 HG2 GLU 56 HG2 GLU 56 0.027 -5.399 12.935 411 HG3 GLU 56 HG3 GLU 56 -0.623 -5.147 11.327 412 HE2 GLU 56 HE2 GLU 56 -2.249 -7.040 10.708 413 H GLU 57 HN GLU 57 3.996 -6.337 10.014 414 HA GLU 57 HA GLU 57 5.495 -7.573 11.815 415 HB2 GLU 57 HB2 GLU 57 5.994 -6.402 9.136 416 HB3 GLU 57 HB3 GLU 57 7.452 -6.657 10.075 417 HG2 GLU 57 HG2 GLU 57 5.658 -8.959 10.325 418 HG3 GLU 57 HG3 GLU 57 5.978 -8.612 8.637 419 HE2 GLU 57 HE2 GLU 57 8.638 -10.723 10.139 420 H MET 58 HN MET 58 5.694 -4.079 10.957 421 HA MET 58 HA MET 58 7.746 -3.764 12.977 422 HB2 MET 58 HB2 MET 58 6.548 -1.840 10.907 423 HB3 MET 58 HB3 MET 58 7.842 -1.404 12.005 424 HG2 MET 58 HG2 MET 58 8.558 -3.889 10.693 425 HG3 MET 58 HG3 MET 58 8.052 -2.742 9.467 426 HE1 MET 58 HE1 MET 58 9.593 -1.503 8.346 427 HE2 MET 58 HE2 MET 58 11.270 -1.148 8.825 428 HE3 MET 58 HE3 MET 58 10.754 -2.833 8.571 429 H LYS 59 HN LYS 59 4.326 -3.471 12.523 430 HA LYS 59 HA LYS 59 2.709 -2.810 13.877 431 HB2 LYS 59 HB2 LYS 59 4.608 -3.617 15.627 432 HB3 LYS 59 HB3 LYS 59 4.465 -1.939 16.111 433 HG2 LYS 59 HG2 LYS 59 2.779 -2.888 17.413 434 HG3 LYS 59 HG3 LYS 59 1.852 -2.416 16.003 435 HD2 LYS 59 HD2 LYS 59 1.160 -4.635 16.241 436 HD3 LYS 59 HD3 LYS 59 2.481 -4.833 15.108 437 HE2 LYS 59 HE2 LYS 59 2.905 -6.487 16.762 438 HE3 LYS 59 HE3 LYS 59 4.004 -5.189 17.184 439 HZ1 LYS 59 HZ1 LYS 59 1.810 -6.204 18.695 440 HZ2 LYS 59 HZ2 LYS 59 3.012 -5.222 19.188 441 H LYS 60 HN LYS 60 3.371 -1.107 11.902 442 HA LYS 60 HA LYS 60 2.691 1.416 13.074 443 HB2 LYS 60 HB2 LYS 60 5.453 0.882 12.086 444 HB3 LYS 60 HB3 LYS 60 4.723 2.407 11.624 445 HG2 LYS 60 HG2 LYS 60 5.171 3.235 13.684 446 HG3 LYS 60 HG3 LYS 60 4.100 2.042 14.390 447 HD2 LYS 60 HD2 LYS 60 5.893 0.455 14.694 448 HD3 LYS 60 HD3 LYS 60 6.972 1.356 13.649 449 HE2 LYS 60 HE2 LYS 60 6.823 3.292 15.331 450 HE3 LYS 60 HE3 LYS 60 5.962 2.205 16.402 451 HZ1 LYS 60 HZ1 LYS 60 8.196 0.797 15.616 452 HZ2 LYS 60 HZ2 LYS 60 8.760 2.303 15.868 453 H GLY 61 HN GLY 61 1.242 2.389 11.746 454 HA2 GLY 61 HA1 GLY 61 0.841 3.150 9.455 455 HA3 GLY 61 HA2 GLY 61 1.250 1.536 8.911 456 HA PRO 62 HA PRO 62 -3.400 2.063 9.634 457 HB2 PRO 62 HB2 PRO 62 -4.108 1.477 7.028 458 HB3 PRO 62 HB3 PRO 62 -3.705 3.129 7.598 459 HG2 PRO 62 HG2 PRO 62 -1.967 1.209 6.225 460 HG3 PRO 62 HG3 PRO 62 -2.159 2.946 5.820 461 HD2 PRO 62 HD2 PRO 62 -0.057 2.115 7.299 462 HD3 PRO 62 HD3 PRO 62 -0.936 3.598 7.780 463 H THR 63 HN THR 63 -3.313 0.117 10.948 464 HA THR 63 HA THR 63 -3.162 -2.371 9.385 465 HB THR 63 HB THR 63 -2.804 -3.286 11.819 466 HG1 THR 63 HG1 THR 63 -3.403 -1.403 12.984 467 HG21 THR 63 HG21 THR 63 -0.843 -1.436 10.389 468 HG22 THR 63 HG22 THR 63 -0.410 -2.250 11.912 469 HG23 THR 63 HG23 THR 63 -0.813 -3.214 10.471 470 H LYS 64 HN LYS 64 -5.402 -0.181 10.521 471 HA LYS 64 HA LYS 64 -7.312 -2.320 11.146 472 HB2 LYS 64 HB2 LYS 64 -7.433 0.632 11.833 473 HB3 LYS 64 HB3 LYS 64 -8.635 -0.570 12.257 474 HG2 LYS 64 HG2 LYS 64 -7.039 -1.785 13.654 475 HG3 LYS 64 HG3 LYS 64 -5.707 -0.798 13.086 476 HD2 LYS 64 HD2 LYS 64 -6.128 0.791 14.650 477 HD3 LYS 64 HD3 LYS 64 -7.795 0.936 14.130 478 HE2 LYS 64 HE2 LYS 64 -8.582 -0.528 15.751 479 HE3 LYS 64 HE3 LYS 64 -7.138 -1.521 15.715 480 HZ1 LYS 64 HZ1 LYS 64 -6.717 -0.437 17.654 481 HZ2 LYS 64 HZ2 LYS 64 -6.161 0.769 16.711 482 H CYS 65 HN CYS 65 -9.603 -1.865 10.339 483 HA CYS 65 HA CYS 65 -9.389 -1.321 7.539 484 HB2 CYS 65 HB2 CYS 65 -12.059 -1.726 8.744 485 HB3 CYS 65 HB3 CYS 65 -11.345 -2.429 7.306 486 H GLY 66 HN GLY 66 -9.722 0.542 10.343 487 HA2 GLY 66 HA1 GLY 66 -11.535 2.509 9.134 488 HA3 GLY 66 HA2 GLY 66 -11.000 2.449 10.801 489 H GLU 67 HN GLU 67 -8.297 1.736 8.912 490 HA GLU 67 HA GLU 67 -7.495 4.533 9.036 491 HB2 GLU 67 HB2 GLU 67 -6.289 2.387 10.218 492 HB3 GLU 67 HB3 GLU 67 -5.434 2.394 8.688 493 HG2 GLU 67 HG2 GLU 67 -5.627 4.669 10.707 494 HG3 GLU 67 HG3 GLU 67 -4.186 3.796 10.224 495 HE2 GLU 67 HE2 GLU 67 -3.041 5.153 9.034 496 H CYS 68 HN CYS 68 -7.400 1.531 7.030 497 HA CYS 68 HA CYS 68 -6.287 2.992 4.817 498 HB2 CYS 68 HB2 CYS 68 -6.817 0.144 5.464 499 HB3 CYS 68 HB3 CYS 68 -6.971 0.572 3.771 500 H HIS 69 HN HIS 69 -9.351 1.228 5.675 501 HA HIS 69 HA HIS 69 -10.640 2.424 3.375 502 HB2 HIS 69 HB2 HIS 69 -11.618 0.407 5.415 503 HB3 HIS 69 HB3 HIS 69 -12.549 0.971 4.042 504 HD1 HIS 69 HD1 HIS 69 -11.203 0.552 1.599 505 HD2 HIS 69 HD2 HIS 69 -10.200 -1.862 4.879 506 HE1 HIS 69 HE1 HIS 69 -10.056 -1.515 0.640 507 H LYS 70 HN LYS 70 -10.466 4.659 4.155 508 HA LYS 70 HA LYS 70 -12.807 5.446 5.510 509 HB2 LYS 70 HB2 LYS 70 -11.727 4.745 7.529 510 HB3 LYS 70 HB3 LYS 70 -10.227 5.536 7.090 511 HG2 LYS 70 HG2 LYS 70 -12.086 7.621 6.929 512 HG3 LYS 70 HG3 LYS 70 -12.677 6.685 8.288 513 HD2 LYS 70 HD2 LYS 70 -9.756 6.970 8.395 514 HD3 LYS 70 HD3 LYS 70 -10.538 8.536 8.309 515 HE2 LYS 70 HE2 LYS 70 -12.146 7.517 10.173 516 HE3 LYS 70 HE3 LYS 70 -10.829 6.389 10.426 517 HZ1 LYS 70 HZ1 LYS 70 -9.757 8.988 10.264 518 HZ2 LYS 70 HZ2 LYS 70 -10.984 9.027 11.333 519 H LYS 71 HN LYS 71 -12.699 6.376 3.274 520 HA LYS 71 HA LYS 71 -10.840 8.032 2.278 521 HB2 LYS 71 HB2 LYS 71 -12.419 8.549 0.767 522 HB3 LYS 71 HB3 LYS 71 -13.384 7.356 1.612 523 HG2 LYS 71 HG2 LYS 71 -14.860 9.150 1.676 524 HG3 LYS 71 HG3 LYS 71 -14.012 9.424 3.184 525 HD2 LYS 71 HD2 LYS 71 -12.578 11.108 2.181 526 HD3 LYS 71 HD3 LYS 71 -13.102 10.686 0.563 527 HE2 LYS 71 HE2 LYS 71 -15.191 11.738 0.806 528 HE3 LYS 71 HE3 LYS 71 -15.205 11.552 2.549 529 HZ1 LYS 71 HZ1 LYS 71 -14.738 13.829 2.092 530 HZ2 LYS 71 HZ2 LYS 71 -13.314 13.205 2.576 Start of MODEL 6 1 H1 ALA 1 HN ALA 1 -0.685 15.063 -8.679 2 HA ALA 1 HA ALA 1 1.038 15.190 -7.291 3 HB1 ALA 1 HB1 ALA 1 -0.980 13.846 -5.451 4 HB2 ALA 1 HB2 ALA 1 0.536 14.599 -4.903 5 HB3 ALA 1 HB3 ALA 1 -0.726 15.594 -5.669 6 H ASP 2 HN ASP 2 2.453 13.757 -5.595 7 HA ASP 2 HA ASP 2 3.288 11.578 -7.175 8 HB2 ASP 2 HB2 ASP 2 4.132 12.236 -4.320 9 HB3 ASP 2 HB3 ASP 2 5.049 11.320 -5.499 10 HD2 ASP 2 HD2 ASP 2 4.193 15.057 -6.207 11 H ASP 3 HN ASP 3 1.157 12.104 -4.414 12 HA ASP 3 HA ASP 3 1.351 9.639 -3.192 13 HB2 ASP 3 HB2 ASP 3 0.093 11.835 -2.501 14 HB3 ASP 3 HB3 ASP 3 -1.242 11.208 -3.448 15 HD2 ASP 3 HD2 ASP 3 -2.574 9.640 -2.242 16 H ILE 4 HN ILE 4 -1.102 8.368 -3.133 17 HA ILE 4 HA ILE 4 -2.113 8.043 -5.812 18 HB ILE 4 HB ILE 4 -0.526 5.888 -4.428 19 HG12 ILE 4 HG12 ILE 4 -0.254 7.452 -6.977 20 HG13 ILE 4 HG13 ILE 4 0.944 7.117 -5.744 21 HG21 ILE 4 HG21 ILE 4 -2.954 5.451 -5.670 22 HG22 ILE 4 HG22 ILE 4 -1.772 5.142 -6.964 23 HG23 ILE 4 HG23 ILE 4 -1.663 4.250 -5.428 24 HD11 ILE 4 HD11 ILE 4 0.066 5.433 -8.046 25 HD12 ILE 4 HD12 ILE 4 1.659 5.546 -7.261 26 HD13 ILE 4 HD13 ILE 4 0.373 4.560 -6.526 27 H VAL 5 HN VAL 5 -4.263 7.510 -5.759 28 HA VAL 5 HA VAL 5 -5.292 6.694 -3.129 29 HB VAL 5 HB VAL 5 -6.756 8.337 -5.191 30 HG11 VAL 5 HG11 VAL 5 -7.457 7.113 -2.665 31 HG12 VAL 5 HG12 VAL 5 -7.646 8.881 -2.573 32 HG13 VAL 5 HG13 VAL 5 -8.492 7.960 -3.840 33 HG21 VAL 5 HG21 VAL 5 -4.706 9.165 -3.218 34 HG22 VAL 5 HG22 VAL 5 -5.250 9.958 -4.716 35 HG23 VAL 5 HG23 VAL 5 -6.204 10.127 -3.223 36 H PHE 6 HN PHE 6 -6.668 4.933 -3.063 37 HA PHE 6 HA PHE 6 -7.201 3.696 -5.673 38 HB2 PHE 6 HB2 PHE 6 -6.661 2.574 -2.860 39 HB3 PHE 6 HB3 PHE 6 -7.181 1.562 -4.194 40 HD1 PHE 6 HD1 PHE 6 -5.677 1.209 -6.136 41 HD2 PHE 6 HD2 PHE 6 -4.396 3.315 -2.682 42 HE1 PHE 6 HE1 PHE 6 -3.286 0.904 -6.836 43 HE2 PHE 6 HE2 PHE 6 -2.005 3.010 -3.382 44 HZ PHE 6 HZ PHE 6 -1.479 1.808 -5.451 45 H LYS 7 HN LYS 7 -9.311 4.286 -6.117 46 HA LYS 7 HA LYS 7 -11.284 4.896 -4.379 47 HB2 LYS 7 HB2 LYS 7 -11.278 3.666 -7.120 48 HB3 LYS 7 HB3 LYS 7 -12.796 3.859 -6.267 49 HG2 LYS 7 HG2 LYS 7 -11.322 6.311 -5.947 50 HG3 LYS 7 HG3 LYS 7 -11.236 5.872 -7.641 51 HD2 LYS 7 HD2 LYS 7 -13.316 6.762 -7.859 52 HD3 LYS 7 HD3 LYS 7 -13.912 5.351 -7.009 53 HE2 LYS 7 HE2 LYS 7 -13.974 6.476 -4.911 54 HE3 LYS 7 HE3 LYS 7 -12.855 7.720 -5.434 55 HZ1 LYS 7 HZ1 LYS 7 -15.441 7.477 -6.820 56 HZ2 LYS 7 HZ2 LYS 7 -15.394 8.226 -5.374 57 H ALA 8 HN ALA 8 -12.447 3.882 -2.825 58 HA ALA 8 HA ALA 8 -12.647 0.969 -2.980 59 HB1 ALA 8 HB1 ALA 8 -11.212 2.593 -0.951 60 HB2 ALA 8 HB2 ALA 8 -12.314 1.360 -0.295 61 HB3 ALA 8 HB3 ALA 8 -11.006 0.884 -1.404 62 H LYS 9 HN LYS 9 -14.564 0.127 -2.021 63 HA LYS 9 HA LYS 9 -16.654 2.105 -1.822 64 HB2 LYS 9 HB2 LYS 9 -17.006 -0.866 -1.468 65 HB3 LYS 9 HB3 LYS 9 -18.153 0.316 -2.064 66 HG2 LYS 9 HG2 LYS 9 -16.338 0.698 -3.973 67 HG3 LYS 9 HG3 LYS 9 -15.762 -0.883 -3.484 68 HD2 LYS 9 HD2 LYS 9 -17.593 -1.972 -4.351 69 HD3 LYS 9 HD3 LYS 9 -18.713 -0.732 -3.822 70 HE2 LYS 9 HE2 LYS 9 -18.073 0.725 -5.705 71 HE3 LYS 9 HE3 LYS 9 -16.810 -0.390 -6.188 72 HZ1 LYS 9 HZ1 LYS 9 -18.326 -1.577 -7.319 73 HZ2 LYS 9 HZ2 LYS 9 -19.281 -1.768 -6.014 74 H ASN 10 HN ASN 10 -14.318 1.432 0.250 75 HA ASN 10 HA ASN 10 -16.158 1.537 2.500 76 HB2 ASN 10 HB2 ASN 10 -14.885 -0.740 2.156 77 HB3 ASN 10 HB3 ASN 10 -13.452 0.136 2.656 78 HD21 ASN 10 HD21 ASN 10 -14.325 -1.997 4.083 79 HD22 ASN 10 HD22 ASN 10 -14.946 -1.514 5.626 80 H GLY 11 HN GLY 11 -14.318 3.380 0.702 81 HA2 GLY 11 HA1 GLY 11 -13.648 5.510 1.620 82 HA3 GLY 11 HA2 GLY 11 -12.897 4.662 2.957 83 H ASP 12 HN ASP 12 -11.976 6.473 0.514 84 HA ASP 12 HA ASP 12 -10.407 5.017 -1.153 85 HB2 ASP 12 HB2 ASP 12 -10.564 7.797 -0.200 86 HB3 ASP 12 HB3 ASP 12 -8.914 7.349 -0.583 87 HD2 ASP 12 HD2 ASP 12 -9.123 5.933 -2.810 88 H VAL 13 HN VAL 13 -8.335 4.046 -0.965 89 HA VAL 13 HA VAL 13 -7.199 4.066 1.732 90 HB VAL 13 HB VAL 13 -7.198 2.145 -0.570 91 HG11 VAL 13 HG11 VAL 13 -5.521 0.946 1.253 92 HG12 VAL 13 HG12 VAL 13 -5.007 1.739 -0.256 93 HG13 VAL 13 HG13 VAL 13 -4.963 2.636 1.281 94 HG21 VAL 13 HG21 VAL 13 -7.632 1.746 2.409 95 HG22 VAL 13 HG22 VAL 13 -8.926 2.013 1.217 96 HG23 VAL 13 HG23 VAL 13 -7.909 0.555 1.115 97 H LYS 14 HN LYS 14 -6.125 6.108 1.608 98 HA LYS 14 HA LYS 14 -4.482 6.823 -0.542 99 HB2 LYS 14 HB2 LYS 14 -5.185 7.841 2.098 100 HB3 LYS 14 HB3 LYS 14 -3.494 8.117 1.731 101 HG2 LYS 14 HG2 LYS 14 -4.187 9.084 -0.509 102 HG3 LYS 14 HG3 LYS 14 -5.863 8.903 -0.031 103 HD2 LYS 14 HD2 LYS 14 -5.266 11.179 0.478 104 HD3 LYS 14 HD3 LYS 14 -5.352 10.343 2.017 105 HE2 LYS 14 HE2 LYS 14 -2.847 10.002 1.931 106 HE3 LYS 14 HE3 LYS 14 -2.797 10.930 0.445 107 HZ1 LYS 14 HZ1 LYS 14 -2.368 12.245 2.524 108 HZ2 LYS 14 HZ2 LYS 14 -3.568 12.860 1.612 109 H PHE 15 HN PHE 15 -2.297 6.527 -0.974 110 HA PHE 15 HA PHE 15 -0.782 4.978 0.975 111 HB2 PHE 15 HB2 PHE 15 -1.842 3.406 -0.688 112 HB3 PHE 15 HB3 PHE 15 -1.225 4.376 -2.011 113 HD1 PHE 15 HD2 PHE 15 0.600 3.370 1.063 114 HD2 PHE 15 HD1 PHE 15 0.157 2.849 -3.125 115 HE1 PHE 15 HE2 PHE 15 2.687 1.977 1.016 116 HE2 PHE 15 HE1 PHE 15 2.245 1.457 -3.172 117 HZ PHE 15 HZ PHE 15 3.485 1.038 -1.101 118 HA PRO 16 HA PRO 16 1.921 8.332 -0.224 119 HB2 PRO 16 HB2 PRO 16 3.669 7.061 1.836 120 HB3 PRO 16 HB3 PRO 16 2.949 8.702 1.773 121 HG2 PRO 16 HG2 PRO 16 2.087 6.788 3.527 122 HG3 PRO 16 HG3 PRO 16 1.107 8.117 2.825 123 HD2 PRO 16 HD2 PRO 16 1.299 5.176 2.034 124 HD3 PRO 16 HD3 PRO 16 -0.145 6.230 2.115 125 H HIS 17 HN HIS 17 2.491 7.508 -2.360 126 HA HIS 17 HA HIS 17 4.074 5.194 -2.615 127 HB2 HIS 17 HB2 HIS 17 2.541 6.185 -4.347 128 HB3 HIS 17 HB3 HIS 17 3.720 7.457 -4.597 129 HD1 HIS 17 HD1 HIS 17 5.596 6.985 -6.219 130 HD2 HIS 17 HD2 HIS 17 3.584 3.505 -5.022 131 HE1 HIS 17 HE1 HIS 17 6.518 5.094 -7.662 132 H LYS 18 HN LYS 18 4.831 8.738 -2.902 133 HA LYS 18 HA LYS 18 7.593 8.315 -3.197 134 HB2 LYS 18 HB2 LYS 18 6.345 10.346 -3.915 135 HB3 LYS 18 HB3 LYS 18 6.121 10.786 -2.234 136 HG2 LYS 18 HG2 LYS 18 8.896 10.235 -2.482 137 HG3 LYS 18 HG3 LYS 18 8.481 11.128 -3.932 138 HD2 LYS 18 HD2 LYS 18 7.366 12.169 -1.342 139 HD3 LYS 18 HD3 LYS 18 9.093 12.345 -1.582 140 HE2 LYS 18 HE2 LYS 18 7.416 13.099 -3.936 141 HE3 LYS 18 HE3 LYS 18 7.208 14.120 -2.527 142 HZ1 LYS 18 HZ1 LYS 18 9.656 13.679 -4.096 143 HZ2 LYS 18 HZ2 LYS 18 9.022 15.086 -3.576 144 H ALA 19 HN ALA 19 5.573 9.290 -0.340 145 HA ALA 19 HA ALA 19 7.531 9.521 1.522 146 HB1 ALA 19 HB1 ALA 19 5.212 8.049 2.539 147 HB2 ALA 19 HB2 ALA 19 5.746 9.711 2.886 148 HB3 ALA 19 HB3 ALA 19 4.740 9.380 1.455 149 H HIS 20 HN HIS 20 5.955 6.492 0.332 150 HA HIS 20 HA HIS 20 7.360 4.824 2.102 151 HB2 HIS 20 HB2 HIS 20 5.662 4.481 -0.326 152 HB3 HIS 20 HB3 HIS 20 6.698 3.141 0.121 153 HD1 HIS 20 HD1 HIS 20 3.839 5.242 1.493 154 HD2 HIS 20 HD2 HIS 20 5.837 1.643 2.300 155 HE1 HIS 20 HE1 HIS 20 2.469 4.050 3.286 156 H GLN 21 HN GLN 21 8.115 6.330 -1.014 157 HA GLN 21 HA GLN 21 10.191 4.580 -1.687 158 HB2 GLN 21 HB2 GLN 21 9.465 7.407 -2.528 159 HB3 GLN 21 HB3 GLN 21 10.899 6.617 -3.152 160 HG2 GLN 21 HG2 GLN 21 8.362 5.019 -3.253 161 HG3 GLN 21 HG3 GLN 21 8.444 6.404 -4.324 162 HE21 GLN 21 HE21 GLN 21 11.291 4.683 -3.254 163 HE22 GLN 21 HE22 GLN 21 11.711 3.936 -4.759 164 H LYS 22 HN LYS 22 9.870 6.899 0.811 165 HA LYS 22 HA LYS 22 12.757 7.367 0.902 166 HB2 LYS 22 HB2 LYS 22 10.682 9.128 1.171 167 HB3 LYS 22 HB3 LYS 22 10.997 8.729 2.848 168 HG2 LYS 22 HG2 LYS 22 13.571 9.048 1.753 169 HG3 LYS 22 HG3 LYS 22 12.632 10.298 0.963 170 HD2 LYS 22 HD2 LYS 22 11.880 11.181 3.137 171 HD3 LYS 22 HD3 LYS 22 12.655 9.858 3.985 172 HE2 LYS 22 HE2 LYS 22 14.832 10.678 3.567 173 HE3 LYS 22 HE3 LYS 22 14.332 11.595 2.160 174 HZ1 LYS 22 HZ1 LYS 22 12.895 12.658 4.265 175 HZ2 LYS 22 HZ2 LYS 22 14.388 12.438 4.877 176 H ALA 23 HN ALA 23 10.088 5.607 2.359 177 HA ALA 23 HA ALA 23 11.635 5.022 4.744 178 HB1 ALA 23 HB1 ALA 23 8.830 4.413 3.771 179 HB2 ALA 23 HB2 ALA 23 9.515 3.619 5.210 180 HB3 ALA 23 HB3 ALA 23 9.336 5.390 5.171 181 H VAL 24 HN VAL 24 10.233 3.338 1.856 182 HA VAL 24 HA VAL 24 11.860 1.010 2.535 183 HB VAL 24 HB VAL 24 9.627 1.428 0.538 184 HG11 VAL 24 HG11 VAL 24 11.512 -0.339 0.071 185 HG12 VAL 24 HG12 VAL 24 10.679 -1.272 1.338 186 HG13 VAL 24 HG13 VAL 24 9.800 -0.783 -0.130 187 HG21 VAL 24 HG21 VAL 24 8.677 1.468 2.707 188 HG22 VAL 24 HG22 VAL 24 8.438 -0.193 2.113 189 HG23 VAL 24 HG23 VAL 24 9.733 0.156 3.283 190 HA PRO 25 HA PRO 25 14.738 2.188 -0.590 191 HB2 PRO 25 HB2 PRO 25 16.427 0.086 -0.358 192 HB3 PRO 25 HB3 PRO 25 16.198 1.239 0.996 193 HG2 PRO 25 HG2 PRO 25 14.876 -1.668 0.947 194 HG3 PRO 25 HG3 PRO 25 15.771 -0.471 1.940 195 HD2 PRO 25 HD2 PRO 25 12.874 -0.754 1.523 196 HD3 PRO 25 HD3 PRO 25 13.731 0.411 2.576 197 H ASP 26 HN ASP 26 15.215 -1.277 -1.040 198 HA ASP 26 HA ASP 26 14.948 -1.262 -3.680 199 HB2 ASP 26 HB2 ASP 26 15.721 -3.254 -2.604 200 HB3 ASP 26 HB3 ASP 26 14.271 -3.395 -1.629 201 HD2 ASP 26 HD2 ASP 26 15.771 -4.390 -4.348 202 H CYS 27 HN CYS 27 13.234 -1.201 -5.190 203 HA CYS 27 HA CYS 27 10.596 -0.802 -4.073 204 HB2 CYS 27 HB2 CYS 27 11.638 -0.479 -6.895 205 HB3 CYS 27 HB3 CYS 27 9.998 -0.130 -6.384 206 H LYS 28 HN LYS 28 12.595 -3.199 -5.688 207 HA LYS 28 HA LYS 28 10.798 -4.689 -7.090 208 HB2 LYS 28 HB2 LYS 28 13.142 -5.600 -5.398 209 HB3 LYS 28 HB3 LYS 28 12.301 -6.621 -6.546 210 HG2 LYS 28 HG2 LYS 28 12.766 -4.604 -8.230 211 HG3 LYS 28 HG3 LYS 28 14.020 -4.189 -7.079 212 HD2 LYS 28 HD2 LYS 28 13.774 -7.026 -8.142 213 HD3 LYS 28 HD3 LYS 28 14.615 -5.797 -9.067 214 HE2 LYS 28 HE2 LYS 28 16.176 -5.388 -7.200 215 HE3 LYS 28 HE3 LYS 28 15.281 -6.483 -6.164 216 HZ1 LYS 28 HZ1 LYS 28 16.409 -7.443 -8.723 217 HZ2 LYS 28 HZ2 LYS 28 17.327 -7.402 -7.378 218 H LYS 29 HN LYS 29 10.955 -4.122 -3.632 219 HA LYS 29 HA LYS 29 9.647 -6.423 -2.753 220 HB2 LYS 29 HB2 LYS 29 9.941 -3.628 -1.654 221 HB3 LYS 29 HB3 LYS 29 8.990 -4.839 -0.817 222 HG2 LYS 29 HG2 LYS 29 11.877 -5.306 -1.690 223 HG3 LYS 29 HG3 LYS 29 11.447 -4.682 -0.110 224 HD2 LYS 29 HD2 LYS 29 9.780 -6.916 -0.362 225 HD3 LYS 29 HD3 LYS 29 11.250 -7.443 -1.157 226 HE2 LYS 29 HE2 LYS 29 12.160 -6.113 1.167 227 HE3 LYS 29 HE3 LYS 29 10.745 -6.995 1.704 228 HZ1 LYS 29 HZ1 LYS 29 12.799 -8.342 1.793 229 HZ2 LYS 29 HZ2 LYS 29 11.700 -9.025 0.804 230 H CYS 30 HN CYS 30 8.505 -3.453 -4.334 231 HA CYS 30 HA CYS 30 5.772 -4.454 -4.015 232 HB2 CYS 30 HB2 CYS 30 6.771 -1.633 -4.516 233 HB3 CYS 30 HB3 CYS 30 5.084 -2.102 -4.595 234 H HIS 31 HN HIS 31 8.360 -3.321 -6.217 235 HA HIS 31 HA HIS 31 6.665 -4.118 -8.470 236 HB2 HIS 31 HB2 HIS 31 8.983 -2.166 -8.389 237 HB3 HIS 31 HB3 HIS 31 8.136 -2.657 -9.843 238 HD1 HIS 31 HD1 HIS 31 5.303 -2.251 -9.515 239 HD2 HIS 31 HD2 HIS 31 8.010 0.188 -7.435 240 HE1 HIS 31 HE1 HIS 31 4.019 -0.141 -8.875 241 H GLU 32 HN GLU 32 7.504 -6.319 -7.412 242 HA GLU 32 HA GLU 32 10.136 -7.038 -7.712 243 HB2 GLU 32 HB2 GLU 32 9.183 -9.413 -7.805 244 HB3 GLU 32 HB3 GLU 32 8.707 -8.448 -6.421 245 HG2 GLU 32 HG2 GLU 32 6.543 -8.847 -6.967 246 HG3 GLU 32 HG3 GLU 32 6.767 -7.846 -8.388 247 HE2 GLU 32 HE2 GLU 32 5.397 -11.005 -8.925 248 H LYS 33 HN LYS 33 7.405 -7.063 -10.049 249 HA LYS 33 HA LYS 33 9.177 -8.167 -12.083 250 HB2 LYS 33 HB2 LYS 33 7.273 -8.738 -13.281 251 HB3 LYS 33 HB3 LYS 33 6.771 -8.978 -11.620 252 HG2 LYS 33 HG2 LYS 33 5.054 -7.543 -11.976 253 HG3 LYS 33 HG3 LYS 33 6.218 -6.246 -12.159 254 HD2 LYS 33 HD2 LYS 33 5.992 -6.190 -14.439 255 HD3 LYS 33 HD3 LYS 33 5.986 -7.937 -14.580 256 HE2 LYS 33 HE2 LYS 33 3.778 -7.568 -15.155 257 HE3 LYS 33 HE3 LYS 33 3.562 -7.650 -13.417 258 HZ1 LYS 33 HZ1 LYS 33 4.227 -5.036 -13.861 259 HZ2 LYS 33 HZ2 LYS 33 3.281 -5.377 -15.142 260 H GLY 34 HN GLY 34 9.938 -5.631 -11.077 261 HA2 GLY 34 HA1 GLY 34 10.726 -3.722 -12.008 262 HA3 GLY 34 HA2 GLY 34 9.943 -4.131 -13.521 263 HA PRO 35 HA PRO 35 7.883 -0.608 -10.898 264 HB2 PRO 35 HB2 PRO 35 8.373 1.296 -12.906 265 HB3 PRO 35 HB3 PRO 35 9.388 1.033 -11.451 266 HG2 PRO 35 HG2 PRO 35 9.782 -0.150 -14.210 267 HG3 PRO 35 HG3 PRO 35 11.118 0.592 -13.271 268 HD2 PRO 35 HD2 PRO 35 10.902 -2.032 -13.169 269 HD3 PRO 35 HD3 PRO 35 10.945 -1.186 -11.592 270 H GLY 36 HN GLY 36 5.763 0.291 -11.496 271 HA2 GLY 36 HA1 GLY 36 4.302 0.699 -13.469 272 HA3 GLY 36 HA2 GLY 36 4.697 -0.933 -13.970 273 H LYS 37 HN LYS 37 2.082 -0.615 -13.758 274 HA LYS 37 HA LYS 37 0.968 -0.781 -11.204 275 HB2 LYS 37 HB2 LYS 37 -1.003 -0.888 -12.305 276 HB3 LYS 37 HB3 LYS 37 -0.018 -0.406 -13.672 277 HG2 LYS 37 HG2 LYS 37 -0.645 -3.307 -12.948 278 HG3 LYS 37 HG3 LYS 37 -1.522 -2.381 -14.150 279 HD2 LYS 37 HD2 LYS 37 1.296 -2.112 -14.717 280 HD3 LYS 37 HD3 LYS 37 0.964 -3.813 -14.461 281 HE2 LYS 37 HE2 LYS 37 -1.103 -2.478 -16.109 282 HE3 LYS 37 HE3 LYS 37 0.493 -2.397 -16.827 283 HZ1 LYS 37 HZ1 LYS 37 0.211 -4.993 -15.888 284 HZ2 LYS 37 HZ2 LYS 37 -1.207 -4.654 -16.612 285 H ILE 38 HN ILE 38 -0.306 -2.796 -10.427 286 HA ILE 38 HA ILE 38 1.392 -5.158 -10.841 287 HB ILE 38 HB ILE 38 0.102 -4.266 -8.260 288 HG12 ILE 38 HG12 ILE 38 3.068 -4.355 -8.744 289 HG13 ILE 38 HG13 ILE 38 2.147 -2.949 -9.241 290 HG21 ILE 38 HG21 ILE 38 1.908 -6.110 -7.526 291 HG22 ILE 38 HG22 ILE 38 0.214 -6.500 -7.911 292 HG23 ILE 38 HG23 ILE 38 1.484 -6.746 -9.134 293 HD11 ILE 38 HD11 ILE 38 2.714 -3.975 -6.481 294 HD12 ILE 38 HD12 ILE 38 2.617 -2.299 -7.073 295 HD13 ILE 38 HD13 ILE 38 1.126 -3.216 -6.750 296 H GLU 39 HN GLU 39 -0.102 -5.775 -12.556 297 HA GLU 39 HA GLU 39 -2.810 -5.936 -12.231 298 HB2 GLU 39 HB2 GLU 39 -2.708 -7.657 -14.058 299 HB3 GLU 39 HB3 GLU 39 -1.770 -6.219 -14.407 300 HG2 GLU 39 HG2 GLU 39 0.242 -7.538 -13.342 301 HG3 GLU 39 HG3 GLU 39 -0.764 -8.957 -13.558 302 HE2 GLU 39 HE2 GLU 39 -1.643 -8.166 -16.559 303 H GLY 40 HN GLY 40 -3.714 -6.810 -10.383 304 HA2 GLY 40 HA1 GLY 40 -4.452 -9.192 -9.852 305 HA3 GLY 40 HA2 GLY 40 -2.751 -9.465 -9.529 306 H PHE 41 HN PHE 41 -2.636 -6.451 -8.617 307 HA PHE 41 HA PHE 41 -2.611 -6.865 -5.933 308 HB2 PHE 41 HB2 PHE 41 -1.704 -4.871 -7.114 309 HB3 PHE 41 HB3 PHE 41 -3.309 -4.413 -7.651 310 HD1 PHE 41 HD1 PHE 41 -1.112 -4.659 -4.694 311 HD2 PHE 41 HD2 PHE 41 -4.749 -3.133 -6.259 312 HE1 PHE 41 HE1 PHE 41 -1.378 -3.208 -2.663 313 HE2 PHE 41 HE2 PHE 41 -5.015 -1.682 -4.228 314 HZ PHE 41 HZ PHE 41 -3.326 -1.737 -2.454 315 H GLY 42 HN GLY 42 -4.065 -5.582 -4.280 316 HA2 GLY 42 HA1 GLY 42 -6.480 -4.763 -4.234 317 HA3 GLY 42 HA2 GLY 42 -6.852 -6.361 -4.851 318 H LYS 43 HN LYS 43 -8.105 -5.941 -2.572 319 HA LYS 43 HA LYS 43 -7.069 -5.998 -0.153 320 HB2 LYS 43 HB2 LYS 43 -8.880 -7.907 0.266 321 HB3 LYS 43 HB3 LYS 43 -9.323 -6.246 -0.070 322 HG2 LYS 43 HG2 LYS 43 -10.207 -6.762 -2.119 323 HG3 LYS 43 HG3 LYS 43 -8.882 -7.833 -2.530 324 HD2 LYS 43 HD2 LYS 43 -10.198 -9.622 -2.087 325 HD3 LYS 43 HD3 LYS 43 -10.312 -9.118 -0.412 326 HE2 LYS 43 HE2 LYS 43 -12.499 -8.597 -0.706 327 HE3 LYS 43 HE3 LYS 43 -12.062 -7.405 -1.914 328 HZ1 LYS 43 HZ1 LYS 43 -13.536 -9.459 -2.557 329 HZ2 LYS 43 HZ2 LYS 43 -12.435 -8.902 -3.619 330 H GLU 44 HN GLU 44 -6.867 -8.701 -2.508 331 HA GLU 44 HA GLU 44 -6.051 -10.740 -1.067 332 HB2 GLU 44 HB2 GLU 44 -5.264 -9.681 -3.740 333 HB3 GLU 44 HB3 GLU 44 -4.179 -10.885 -3.074 334 HG2 GLU 44 HG2 GLU 44 -7.183 -11.345 -3.073 335 HG3 GLU 44 HG3 GLU 44 -6.232 -11.685 -4.505 336 HE2 GLU 44 HE2 GLU 44 -6.452 -13.137 -1.078 337 H MET 45 HN MET 45 -3.462 -8.636 -2.503 338 HA MET 45 HA MET 45 -1.683 -9.448 -0.451 339 HB2 MET 45 HB2 MET 45 -1.447 -8.519 -3.059 340 HB3 MET 45 HB3 MET 45 -1.011 -7.078 -2.162 341 HG2 MET 45 HG2 MET 45 0.590 -8.633 -0.799 342 HG3 MET 45 HG3 MET 45 0.330 -9.810 -2.070 343 HE1 MET 45 HE1 MET 45 1.626 -8.786 -5.081 344 HE2 MET 45 HE2 MET 45 -0.009 -8.913 -4.388 345 HE3 MET 45 HE3 MET 45 0.584 -7.346 -4.986 346 H ALA 46 HN ALA 46 -3.473 -6.434 -1.313 347 HA ALA 46 HA ALA 46 -2.354 -4.646 0.384 348 HB1 ALA 46 HB1 ALA 46 -4.328 -4.458 -1.296 349 HB2 ALA 46 HB2 ALA 46 -5.357 -4.892 0.090 350 HB3 ALA 46 HB3 ALA 46 -4.355 -3.422 0.151 351 H HIS 47 HN HIS 47 -4.199 -7.541 1.178 352 HA HIS 47 HA HIS 47 -4.398 -6.643 3.946 353 HB2 HIS 47 HB2 HIS 47 -5.702 -8.967 2.503 354 HB3 HIS 47 HB3 HIS 47 -5.896 -8.619 4.209 355 HD1 HIS 47 HD1 HIS 47 -8.286 -8.612 2.157 356 HD2 HIS 47 HD2 HIS 47 -6.207 -5.211 3.462 357 HE1 HIS 47 HE1 HIS 47 -9.862 -6.635 1.813 358 H GLY 48 HN GLY 48 -3.452 -9.572 2.007 359 HA2 GLY 48 HA1 GLY 48 -2.174 -10.929 4.080 360 HA3 GLY 48 HA2 GLY 48 -1.879 -11.134 2.365 361 H LYS 49 HN LYS 49 0.380 -11.290 2.394 362 HA LYS 49 HA LYS 49 1.907 -9.347 3.860 363 HB2 LYS 49 HB2 LYS 49 2.313 -11.966 2.978 364 HB3 LYS 49 HB3 LYS 49 3.386 -11.011 1.974 365 HG2 LYS 49 HG2 LYS 49 3.251 -10.648 4.998 366 HG3 LYS 49 HG3 LYS 49 4.322 -11.815 4.248 367 HD2 LYS 49 HD2 LYS 49 4.312 -8.855 3.506 368 HD3 LYS 49 HD3 LYS 49 5.356 -9.524 4.744 369 HE2 LYS 49 HE2 LYS 49 6.178 -11.199 2.945 370 HE3 LYS 49 HE3 LYS 49 5.341 -10.202 1.772 371 HZ1 LYS 49 HZ1 LYS 49 6.906 -8.535 3.425 372 HZ2 LYS 49 HZ2 LYS 49 7.860 -9.735 2.876 373 H GLY 50 HN GLY 50 0.347 -7.808 2.340 374 HA2 GLY 50 HA1 GLY 50 1.965 -7.127 -0.039 375 HA3 GLY 50 HA2 GLY 50 0.252 -6.808 0.152 376 H CYS 51 HN CYS 51 -0.235 -5.523 2.382 377 HA CYS 51 HA CYS 51 1.740 -3.359 2.476 378 HB2 CYS 51 HB2 CYS 51 -1.245 -3.059 2.837 379 HB3 CYS 51 HB3 CYS 51 -0.049 -1.779 2.814 380 H LYS 52 HN LYS 52 -0.980 -5.037 4.214 381 HA LYS 52 HA LYS 52 -0.308 -4.038 6.742 382 HB2 LYS 52 HB2 LYS 52 -1.728 -6.654 6.234 383 HB3 LYS 52 HB3 LYS 52 -1.931 -5.544 7.574 384 HG2 LYS 52 HG2 LYS 52 -2.479 -3.898 5.406 385 HG3 LYS 52 HG3 LYS 52 -3.094 -5.438 4.839 386 HD2 LYS 52 HD2 LYS 52 -3.833 -4.114 7.493 387 HD3 LYS 52 HD3 LYS 52 -4.838 -4.131 6.057 388 HE2 LYS 52 HE2 LYS 52 -5.744 -6.038 6.927 389 HE3 LYS 52 HE3 LYS 52 -4.288 -6.831 6.357 390 HZ1 LYS 52 HZ1 LYS 52 -4.876 -5.890 9.090 391 HZ2 LYS 52 HZ2 LYS 52 -4.352 -7.358 8.618 392 H GLY 53 HN GLY 53 1.048 -6.576 4.723 393 HA2 GLY 53 HA1 GLY 53 2.227 -8.158 6.740 394 HA3 GLY 53 HA2 GLY 53 2.706 -8.059 5.057 395 H CYS 54 HN CYS 54 3.423 -5.337 4.793 396 HA CYS 54 HA CYS 54 5.890 -5.383 6.296 397 HB2 CYS 54 HB2 CYS 54 5.635 -4.919 3.747 398 HB3 CYS 54 HB3 CYS 54 5.150 -3.307 4.235 399 H HIS 55 HN HIS 55 3.118 -4.791 7.477 400 HA HIS 55 HA HIS 55 3.762 -2.110 8.472 401 HB2 HIS 55 HB2 HIS 55 1.122 -3.345 7.725 402 HB3 HIS 55 HB3 HIS 55 1.190 -2.083 8.938 403 HD1 HIS 55 HD1 HIS 55 -0.367 -1.092 6.748 404 HD2 HIS 55 HD2 HIS 55 3.819 -1.085 6.470 405 HE1 HIS 55 HE1 HIS 55 0.227 0.608 4.940 406 H GLU 56 HN GLU 56 1.633 -4.923 9.368 407 HA GLU 56 HA GLU 56 1.767 -4.511 12.050 408 HB2 GLU 56 HB2 GLU 56 1.033 -6.725 10.244 409 HB3 GLU 56 HB3 GLU 56 1.602 -7.294 11.801 410 HG2 GLU 56 HG2 GLU 56 -0.006 -5.590 12.877 411 HG3 GLU 56 HG3 GLU 56 -0.680 -5.339 11.279 412 HE2 GLU 56 HE2 GLU 56 -2.459 -7.812 10.948 413 H GLU 57 HN GLU 57 3.961 -6.467 9.944 414 HA GLU 57 HA GLU 57 5.453 -7.734 11.739 415 HB2 GLU 57 HB2 GLU 57 5.867 -6.658 9.044 416 HB3 GLU 57 HB3 GLU 57 7.369 -6.694 9.946 417 HG2 GLU 57 HG2 GLU 57 5.822 -9.154 10.373 418 HG3 GLU 57 HG3 GLU 57 6.108 -8.880 8.666 419 HE2 GLU 57 HE2 GLU 57 9.355 -8.371 8.883 420 H MET 58 HN MET 58 5.676 -4.237 10.888 421 HA MET 58 HA MET 58 7.717 -3.944 12.925 422 HB2 MET 58 HB2 MET 58 6.567 -1.989 10.856 423 HB3 MET 58 HB3 MET 58 7.887 -1.605 11.943 424 HG2 MET 58 HG2 MET 58 8.521 -4.100 10.625 425 HG3 MET 58 HG3 MET 58 8.013 -2.957 9.398 426 HE1 MET 58 HE1 MET 58 11.137 -2.941 8.588 427 HE2 MET 58 HE2 MET 58 9.533 -2.278 8.195 428 HE3 MET 58 HE3 MET 58 10.878 -1.180 8.585 429 H LYS 59 HN LYS 59 4.310 -3.649 12.462 430 HA LYS 59 HA LYS 59 2.685 -2.940 13.778 431 HB2 LYS 59 HB2 LYS 59 4.487 -3.822 15.551 432 HB3 LYS 59 HB3 LYS 59 4.488 -2.133 16.016 433 HG2 LYS 59 HG2 LYS 59 2.750 -2.987 17.345 434 HG3 LYS 59 HG3 LYS 59 1.864 -2.350 15.974 435 HD2 LYS 59 HD2 LYS 59 0.918 -4.451 15.981 436 HD3 LYS 59 HD3 LYS 59 2.329 -4.846 15.019 437 HE2 LYS 59 HE2 LYS 59 2.782 -6.427 16.596 438 HE3 LYS 59 HE3 LYS 59 3.313 -5.102 17.612 439 HZ1 LYS 59 HZ1 LYS 59 0.448 -5.780 17.552 440 HZ2 LYS 59 HZ2 LYS 59 1.452 -6.689 18.456 441 H LYS 60 HN LYS 60 3.553 -1.239 11.807 442 HA LYS 60 HA LYS 60 2.892 1.305 13.005 443 HB2 LYS 60 HB2 LYS 60 5.609 0.647 12.030 444 HB3 LYS 60 HB3 LYS 60 4.942 2.144 11.412 445 HG2 LYS 60 HG2 LYS 60 4.544 1.671 14.340 446 HG3 LYS 60 HG3 LYS 60 6.203 1.923 13.837 447 HD2 LYS 60 HD2 LYS 60 4.840 3.911 12.425 448 HD3 LYS 60 HD3 LYS 60 3.955 3.849 13.936 449 HE2 LYS 60 HE2 LYS 60 6.992 4.128 13.721 450 HE3 LYS 60 HE3 LYS 60 5.889 5.464 13.988 451 HZ1 LYS 60 HZ1 LYS 60 5.948 3.126 15.808 452 HZ2 LYS 60 HZ2 LYS 60 6.904 4.423 16.049 453 H GLY 61 HN GLY 61 1.435 2.328 11.725 454 HA2 GLY 61 HA1 GLY 61 0.953 3.109 9.470 455 HA3 GLY 61 HA2 GLY 61 1.336 1.502 8.885 456 HA PRO 62 HA PRO 62 -3.273 1.948 9.742 457 HB2 PRO 62 HB2 PRO 62 -4.130 1.543 7.184 458 HB3 PRO 62 HB3 PRO 62 -3.558 3.146 7.752 459 HG2 PRO 62 HG2 PRO 62 -1.909 1.090 6.268 460 HG3 PRO 62 HG3 PRO 62 -2.128 2.824 5.862 461 HD2 PRO 62 HD2 PRO 62 0.014 1.995 7.304 462 HD3 PRO 62 HD3 PRO 62 -0.843 3.497 7.766 463 H THR 63 HN THR 63 -3.286 -0.045 10.933 464 HA THR 63 HA THR 63 -3.074 -2.463 9.269 465 HB THR 63 HB THR 63 -2.783 -3.477 11.678 466 HG1 THR 63 HG1 THR 63 -2.079 -1.744 13.154 467 HG21 THR 63 HG21 THR 63 -0.811 -3.232 10.193 468 HG22 THR 63 HG22 THR 63 -0.728 -1.494 10.567 469 HG23 THR 63 HG23 THR 63 -0.390 -2.694 11.837 470 H LYS 64 HN LYS 64 -5.266 -0.385 10.951 471 HA LYS 64 HA LYS 64 -7.203 -2.536 11.265 472 HB2 LYS 64 HB2 LYS 64 -7.518 0.380 12.013 473 HB3 LYS 64 HB3 LYS 64 -8.479 -0.980 12.559 474 HG2 LYS 64 HG2 LYS 64 -7.065 -0.899 14.371 475 HG3 LYS 64 HG3 LYS 64 -6.030 -1.867 13.341 476 HD2 LYS 64 HD2 LYS 64 -4.648 -0.032 12.766 477 HD3 LYS 64 HD3 LYS 64 -5.880 1.151 13.155 478 HE2 LYS 64 HE2 LYS 64 -5.376 -0.319 15.565 479 HE3 LYS 64 HE3 LYS 64 -3.810 0.058 14.875 480 HZ1 LYS 64 HZ1 LYS 64 -4.556 2.407 14.710 481 HZ2 LYS 64 HZ2 LYS 64 -5.957 2.029 15.448 482 H CYS 65 HN CYS 65 -9.506 -2.034 10.491 483 HA CYS 65 HA CYS 65 -9.305 -1.423 7.709 484 HB2 CYS 65 HB2 CYS 65 -11.970 -1.788 8.948 485 HB3 CYS 65 HB3 CYS 65 -11.306 -2.456 7.470 486 H GLY 66 HN GLY 66 -9.595 0.384 10.565 487 HA2 GLY 66 HA1 GLY 66 -11.348 2.427 9.394 488 HA3 GLY 66 HA2 GLY 66 -10.822 2.314 11.062 489 H GLU 67 HN GLU 67 -8.137 1.575 9.149 490 HA GLU 67 HA GLU 67 -7.249 4.339 9.368 491 HB2 GLU 67 HB2 GLU 67 -6.100 2.130 10.463 492 HB3 GLU 67 HB3 GLU 67 -5.275 2.131 8.917 493 HG2 GLU 67 HG2 GLU 67 -3.933 3.830 9.587 494 HG3 GLU 67 HG3 GLU 67 -5.324 4.849 9.901 495 HE2 GLU 67 HE2 GLU 67 -2.881 3.087 11.440 496 H CYS 68 HN CYS 68 -7.424 1.461 7.222 497 HA CYS 68 HA CYS 68 -6.253 2.983 5.058 498 HB2 CYS 68 HB2 CYS 68 -6.818 0.110 5.582 499 HB3 CYS 68 HB3 CYS 68 -6.952 0.627 3.913 500 H HIS 69 HN HIS 69 -9.286 1.096 5.781 501 HA HIS 69 HA HIS 69 -10.616 2.423 3.597 502 HB2 HIS 69 HB2 HIS 69 -11.593 0.360 5.591 503 HB3 HIS 69 HB3 HIS 69 -12.516 0.956 4.226 504 HD1 HIS 69 HD1 HIS 69 -11.136 0.593 1.782 505 HD2 HIS 69 HD2 HIS 69 -10.213 -1.920 5.012 506 HE1 HIS 69 HE1 HIS 69 -10.004 -1.466 0.786 507 H LYS 70 HN LYS 70 -10.369 4.628 4.489 508 HA LYS 70 HA LYS 70 -12.701 5.455 5.783 509 HB2 LYS 70 HB2 LYS 70 -11.060 4.370 7.647 510 HB3 LYS 70 HB3 LYS 70 -10.461 6.016 7.650 511 HG2 LYS 70 HG2 LYS 70 -13.425 5.838 7.608 512 HG3 LYS 70 HG3 LYS 70 -12.703 5.120 9.034 513 HD2 LYS 70 HD2 LYS 70 -12.127 7.151 9.894 514 HD3 LYS 70 HD3 LYS 70 -11.425 7.683 8.379 515 HE2 LYS 70 HE2 LYS 70 -14.438 7.603 8.860 516 HE3 LYS 70 HE3 LYS 70 -13.462 9.019 9.200 517 HZ1 LYS 70 HZ1 LYS 70 -13.112 9.392 6.970 518 HZ2 LYS 70 HZ2 LYS 70 -13.183 7.823 6.542 519 H LYS 71 HN LYS 71 -12.708 6.828 3.955 520 HA LYS 71 HA LYS 71 -10.725 8.278 2.900 521 HB2 LYS 71 HB2 LYS 71 -13.514 8.268 2.778 522 HB3 LYS 71 HB3 LYS 71 -13.118 9.919 3.210 523 HG2 LYS 71 HG2 LYS 71 -11.252 9.606 1.296 524 HG3 LYS 71 HG3 LYS 71 -12.357 8.367 0.737 525 HD2 LYS 71 HD2 LYS 71 -13.775 10.847 1.458 526 HD3 LYS 71 HD3 LYS 71 -12.554 11.131 0.234 527 HE2 LYS 71 HE2 LYS 71 -13.567 8.986 -0.933 528 HE3 LYS 71 HE3 LYS 71 -14.950 9.271 0.106 529 HZ1 LYS 71 HZ1 LYS 71 -14.929 10.414 -2.170 530 HZ2 LYS 71 HZ2 LYS 71 -15.336 11.350 -0.901 Start of MODEL 7 1 H1 ALA 1 HN ALA 1 -1.075 15.260 -8.255 2 HA ALA 1 HA ALA 1 1.015 15.361 -7.098 3 HB1 ALA 1 HB1 ALA 1 -1.362 14.192 -5.635 4 HB2 ALA 1 HB2 ALA 1 0.143 14.588 -4.770 5 HB3 ALA 1 HB3 ALA 1 -0.753 15.865 -5.628 6 H ASP 2 HN ASP 2 2.386 14.085 -5.387 7 HA ASP 2 HA ASP 2 3.356 11.840 -6.728 8 HB2 ASP 2 HB2 ASP 2 3.934 12.341 -3.803 9 HB3 ASP 2 HB3 ASP 2 5.030 11.796 -5.058 10 HD2 ASP 2 HD2 ASP 2 5.921 13.306 -6.341 11 H ASP 3 HN ASP 3 0.970 12.409 -4.175 12 HA ASP 3 HA ASP 3 1.065 9.920 -2.955 13 HB2 ASP 3 HB2 ASP 3 -0.171 12.139 -2.290 14 HB3 ASP 3 HB3 ASP 3 -1.471 11.560 -3.314 15 HD2 ASP 3 HD2 ASP 3 -2.739 11.493 -1.531 16 H ILE 4 HN ILE 4 -1.403 8.698 -3.044 17 HA ILE 4 HA ILE 4 -2.349 8.477 -5.745 18 HB ILE 4 HB ILE 4 -0.726 6.282 -4.474 19 HG12 ILE 4 HG12 ILE 4 -0.516 7.951 -6.964 20 HG13 ILE 4 HG13 ILE 4 0.700 7.610 -5.748 21 HG21 ILE 4 HG21 ILE 4 -2.522 5.991 -6.894 22 HG22 ILE 4 HG22 ILE 4 -1.526 4.736 -6.119 23 HG23 ILE 4 HG23 ILE 4 -2.931 5.412 -5.261 24 HD11 ILE 4 HD11 ILE 4 1.377 6.227 -7.526 25 HD12 ILE 4 HD12 ILE 4 0.426 5.102 -6.527 26 HD13 ILE 4 HD13 ILE 4 -0.297 5.829 -7.982 27 H VAL 5 HN VAL 5 -4.481 7.830 -5.767 28 HA VAL 5 HA VAL 5 -5.531 6.934 -3.171 29 HB VAL 5 HB VAL 5 -7.022 8.535 -5.249 30 HG11 VAL 5 HG11 VAL 5 -7.636 8.539 -2.316 31 HG12 VAL 5 HG12 VAL 5 -8.724 8.721 -3.714 32 HG13 VAL 5 HG13 VAL 5 -8.091 7.114 -3.282 33 HG21 VAL 5 HG21 VAL 5 -6.554 10.552 -4.015 34 HG22 VAL 5 HG22 VAL 5 -5.642 9.645 -2.784 35 HG23 VAL 5 HG23 VAL 5 -5.007 9.782 -4.441 36 H PHE 6 HN PHE 6 -6.848 5.125 -3.154 37 HA PHE 6 HA PHE 6 -7.303 3.910 -5.789 38 HB2 PHE 6 HB2 PHE 6 -6.652 2.766 -3.010 39 HB3 PHE 6 HB3 PHE 6 -7.176 1.747 -4.336 40 HD1 PHE 6 HD1 PHE 6 -5.752 1.897 -6.521 41 HD2 PHE 6 HD2 PHE 6 -4.386 3.169 -2.709 42 HE1 PHE 6 HE1 PHE 6 -3.376 1.694 -7.304 43 HE2 PHE 6 HE2 PHE 6 -2.010 2.965 -3.492 44 HZ PHE 6 HZ PHE 6 -1.533 2.230 -5.780 45 H LYS 7 HN LYS 7 -9.443 4.501 -6.163 46 HA LYS 7 HA LYS 7 -11.428 4.939 -4.425 47 HB2 LYS 7 HB2 LYS 7 -11.379 3.741 -7.177 48 HB3 LYS 7 HB3 LYS 7 -12.899 3.826 -6.310 49 HG2 LYS 7 HG2 LYS 7 -11.375 6.344 -6.113 50 HG3 LYS 7 HG3 LYS 7 -11.704 5.906 -7.777 51 HD2 LYS 7 HD2 LYS 7 -14.163 5.420 -6.817 52 HD3 LYS 7 HD3 LYS 7 -13.654 6.525 -5.556 53 HE2 LYS 7 HE2 LYS 7 -13.614 8.356 -6.973 54 HE3 LYS 7 HE3 LYS 7 -13.054 7.421 -8.345 55 HZ1 LYS 7 HZ1 LYS 7 -15.819 7.704 -7.362 56 HZ2 LYS 7 HZ2 LYS 7 -15.261 7.900 -8.879 57 H ALA 8 HN ALA 8 -12.486 3.861 -2.844 58 HA ALA 8 HA ALA 8 -12.414 0.927 -2.974 59 HB1 ALA 8 HB1 ALA 8 -11.117 2.649 -1.085 60 HB2 ALA 8 HB2 ALA 8 -12.453 1.821 -0.250 61 HB3 ALA 8 HB3 ALA 8 -11.202 0.871 -1.086 62 H LYS 9 HN LYS 9 -14.275 -0.133 -2.063 63 HA LYS 9 HA LYS 9 -16.623 1.548 -2.203 64 HB2 LYS 9 HB2 LYS 9 -16.541 -1.439 -1.754 65 HB3 LYS 9 HB3 LYS 9 -17.851 -0.472 -2.400 66 HG2 LYS 9 HG2 LYS 9 -15.835 0.168 -4.168 67 HG3 LYS 9 HG3 LYS 9 -15.387 -1.474 -3.754 68 HD2 LYS 9 HD2 LYS 9 -18.200 -1.557 -4.136 69 HD3 LYS 9 HD3 LYS 9 -17.599 -0.531 -5.423 70 HE2 LYS 9 HE2 LYS 9 -15.959 -2.288 -6.083 71 HE3 LYS 9 HE3 LYS 9 -16.502 -3.308 -4.766 72 HZ1 LYS 9 HZ1 LYS 9 -18.070 -4.067 -6.163 73 HZ2 LYS 9 HZ2 LYS 9 -18.785 -2.604 -6.179 74 H ASN 10 HN ASN 10 -14.454 1.373 0.100 75 HA ASN 10 HA ASN 10 -16.480 1.487 2.149 76 HB2 ASN 10 HB2 ASN 10 -14.699 -0.738 1.891 77 HB3 ASN 10 HB3 ASN 10 -14.069 0.214 3.220 78 HD21 ASN 10 HD21 ASN 10 -14.703 -1.831 4.321 79 HD22 ASN 10 HD22 ASN 10 -16.297 -1.947 4.989 80 H GLY 11 HN GLY 11 -14.592 3.297 0.527 81 HA2 GLY 11 HA1 GLY 11 -13.902 5.397 1.476 82 HA3 GLY 11 HA2 GLY 11 -13.200 4.527 2.826 83 H ASP 12 HN ASP 12 -12.200 6.340 0.406 84 HA ASP 12 HA ASP 12 -10.600 4.882 -1.223 85 HB2 ASP 12 HB2 ASP 12 -10.774 7.651 -0.275 86 HB3 ASP 12 HB3 ASP 12 -9.102 7.201 -0.547 87 HD2 ASP 12 HD2 ASP 12 -10.192 9.070 -2.019 88 H VAL 13 HN VAL 13 -8.349 4.183 -1.084 89 HA VAL 13 HA VAL 13 -7.374 4.005 1.679 90 HB VAL 13 HB VAL 13 -7.202 2.206 -0.718 91 HG11 VAL 13 HG11 VAL 13 -5.623 0.952 1.157 92 HG12 VAL 13 HG12 VAL 13 -5.030 1.824 -0.277 93 HG13 VAL 13 HG13 VAL 13 -5.107 2.650 1.298 94 HG21 VAL 13 HG21 VAL 13 -8.956 2.141 1.253 95 HG22 VAL 13 HG22 VAL 13 -8.264 0.638 0.598 96 HG23 VAL 13 HG23 VAL 13 -7.633 1.320 2.116 97 H LYS 14 HN LYS 14 -6.619 6.302 1.321 98 HA LYS 14 HA LYS 14 -4.838 7.060 -0.606 99 HB2 LYS 14 HB2 LYS 14 -5.743 8.012 1.966 100 HB3 LYS 14 HB3 LYS 14 -4.023 8.299 1.804 101 HG2 LYS 14 HG2 LYS 14 -4.519 9.268 -0.530 102 HG3 LYS 14 HG3 LYS 14 -6.220 9.186 -0.116 103 HD2 LYS 14 HD2 LYS 14 -5.693 10.579 1.965 104 HD3 LYS 14 HD3 LYS 14 -4.067 10.783 1.344 105 HE2 LYS 14 HE2 LYS 14 -4.748 12.175 -0.402 106 HE3 LYS 14 HE3 LYS 14 -6.323 11.419 -0.541 107 HZ1 LYS 14 HZ1 LYS 14 -5.775 12.860 1.945 108 HZ2 LYS 14 HZ2 LYS 14 -6.014 13.768 0.614 109 H PHE 15 HN PHE 15 -2.661 6.804 -1.020 110 HA PHE 15 HA PHE 15 -1.074 5.414 0.978 111 HB2 PHE 15 HB2 PHE 15 -2.063 3.658 -0.503 112 HB3 PHE 15 HB3 PHE 15 -1.610 4.569 -1.930 113 HD1 PHE 15 HD2 PHE 15 0.203 3.418 1.135 114 HD2 PHE 15 HD1 PHE 15 0.088 3.566 -3.104 115 HE1 PHE 15 HE2 PHE 15 2.381 2.175 1.033 116 HE2 PHE 15 HE1 PHE 15 2.266 2.323 -3.207 117 HZ PHE 15 HZ PHE 15 3.386 1.642 -1.137 118 HA PRO 16 HA PRO 16 1.622 8.568 -0.636 119 HB2 PRO 16 HB2 PRO 16 3.501 8.339 1.350 120 HB3 PRO 16 HB3 PRO 16 1.898 9.098 1.618 121 HG2 PRO 16 HG2 PRO 16 2.686 6.188 2.599 122 HG3 PRO 16 HG3 PRO 16 1.904 7.744 3.031 123 HD2 PRO 16 HD2 PRO 16 0.728 5.384 1.766 124 HD3 PRO 16 HD3 PRO 16 -0.077 6.933 2.159 125 H HIS 17 HN HIS 17 2.589 7.811 -2.557 126 HA HIS 17 HA HIS 17 4.071 5.381 -2.516 127 HB2 HIS 17 HB2 HIS 17 2.709 6.253 -4.444 128 HB3 HIS 17 HB3 HIS 17 3.928 7.489 -4.687 129 HD1 HIS 17 HD1 HIS 17 6.162 6.789 -5.789 130 HD2 HIS 17 HD2 HIS 17 3.521 3.597 -5.131 131 HE1 HIS 17 HE1 HIS 17 7.105 4.803 -7.083 132 H LYS 18 HN LYS 18 4.899 8.891 -2.959 133 HA LYS 18 HA LYS 18 7.622 8.579 -3.165 134 HB2 LYS 18 HB2 LYS 18 6.361 10.657 -3.615 135 HB3 LYS 18 HB3 LYS 18 6.084 10.866 -1.897 136 HG2 LYS 18 HG2 LYS 18 8.430 11.180 -1.444 137 HG3 LYS 18 HG3 LYS 18 8.898 10.569 -3.019 138 HD2 LYS 18 HD2 LYS 18 8.419 12.561 -4.099 139 HD3 LYS 18 HD3 LYS 18 7.060 12.929 -3.056 140 HE2 LYS 18 HE2 LYS 18 9.940 13.051 -2.062 141 HE3 LYS 18 HE3 LYS 18 9.155 14.427 -2.810 142 HZ1 LYS 18 HZ1 LYS 18 8.521 14.795 -0.663 143 HZ2 LYS 18 HZ2 LYS 18 7.313 13.759 -1.004 144 H ALA 19 HN ALA 19 5.692 9.261 -0.159 145 HA ALA 19 HA ALA 19 7.637 9.275 1.684 146 HB1 ALA 19 HB1 ALA 19 5.965 8.727 3.248 147 HB2 ALA 19 HB2 ALA 19 5.043 9.391 1.878 148 HB3 ALA 19 HB3 ALA 19 5.134 7.630 2.119 149 H HIS 20 HN HIS 20 5.971 6.245 0.543 150 HA HIS 20 HA HIS 20 7.616 4.515 1.929 151 HB2 HIS 20 HB2 HIS 20 5.874 4.272 -0.508 152 HB3 HIS 20 HB3 HIS 20 6.887 2.924 -0.031 153 HD1 HIS 20 HD1 HIS 20 3.994 5.037 1.236 154 HD2 HIS 20 HD2 HIS 20 5.976 1.456 2.156 155 HE1 HIS 20 HE1 HIS 20 2.573 3.867 3.004 156 H GLN 21 HN GLN 21 8.043 6.188 -1.197 157 HA GLN 21 HA GLN 21 10.183 4.627 -2.062 158 HB2 GLN 21 HB2 GLN 21 9.274 7.453 -2.720 159 HB3 GLN 21 HB3 GLN 21 10.663 6.726 -3.501 160 HG2 GLN 21 HG2 GLN 21 8.143 5.089 -3.431 161 HG3 GLN 21 HG3 GLN 21 8.141 6.494 -4.479 162 HE21 GLN 21 HE21 GLN 21 8.545 5.948 -6.473 163 HE22 GLN 21 HE22 GLN 21 9.731 4.819 -7.038 164 H LYS 22 HN LYS 22 9.896 6.832 0.547 165 HA LYS 22 HA LYS 22 12.799 7.281 0.535 166 HB2 LYS 22 HB2 LYS 22 10.752 9.151 0.692 167 HB3 LYS 22 HB3 LYS 22 11.222 8.937 2.366 168 HG2 LYS 22 HG2 LYS 22 13.681 9.021 0.999 169 HG3 LYS 22 HG3 LYS 22 12.704 10.207 0.157 170 HD2 LYS 22 HD2 LYS 22 12.059 11.019 2.600 171 HD3 LYS 22 HD3 LYS 22 13.503 10.151 3.080 172 HE2 LYS 22 HE2 LYS 22 14.615 11.502 1.056 173 HE3 LYS 22 HE3 LYS 22 13.258 12.584 1.299 174 HZ1 LYS 22 HZ1 LYS 22 15.045 13.310 2.698 175 HZ2 LYS 22 HZ2 LYS 22 13.934 12.669 3.701 176 H ALA 23 HN ALA 23 10.258 5.439 1.844 177 HA ALA 23 HA ALA 23 11.570 5.182 4.439 178 HB1 ALA 23 HB1 ALA 23 9.549 4.150 5.160 179 HB2 ALA 23 HB2 ALA 23 9.042 5.507 4.125 180 HB3 ALA 23 HB3 ALA 23 9.017 3.845 3.489 181 H VAL 24 HN VAL 24 10.396 3.157 1.660 182 HA VAL 24 HA VAL 24 12.224 1.062 2.571 183 HB VAL 24 HB VAL 24 9.918 1.021 0.614 184 HG11 VAL 24 HG11 VAL 24 11.872 -0.608 0.223 185 HG12 VAL 24 HG12 VAL 24 11.348 -1.396 1.730 186 HG13 VAL 24 HG13 VAL 24 10.234 -1.295 0.346 187 HG21 VAL 24 HG21 VAL 24 10.097 -0.241 3.367 188 HG22 VAL 24 HG22 VAL 24 9.326 1.329 3.040 189 HG23 VAL 24 HG23 VAL 24 8.676 -0.152 2.299 190 HA PRO 25 HA PRO 25 14.925 2.082 -0.750 191 HB2 PRO 25 HB2 PRO 25 16.646 -0.021 -0.484 192 HB3 PRO 25 HB3 PRO 25 16.511 1.262 0.762 193 HG2 PRO 25 HG2 PRO 25 15.289 -1.617 1.000 194 HG3 PRO 25 HG3 PRO 25 16.166 -0.356 1.927 195 HD2 PRO 25 HD2 PRO 25 13.284 -0.765 1.656 196 HD3 PRO 25 HD3 PRO 25 14.127 0.531 2.559 197 H ASP 26 HN ASP 26 15.347 -1.440 -0.971 198 HA ASP 26 HA ASP 26 15.046 -1.584 -3.612 199 HB2 ASP 26 HB2 ASP 26 15.797 -3.484 -2.278 200 HB3 ASP 26 HB3 ASP 26 14.243 -3.608 -1.478 201 HD2 ASP 26 HD2 ASP 26 14.974 -4.938 -5.131 202 H CYS 27 HN CYS 27 13.312 -1.428 -5.068 203 HA CYS 27 HA CYS 27 10.693 -1.023 -3.916 204 HB2 CYS 27 HB2 CYS 27 11.669 -0.723 -6.765 205 HB3 CYS 27 HB3 CYS 27 10.061 -0.321 -6.194 206 H LYS 28 HN LYS 28 12.657 -3.451 -5.503 207 HA LYS 28 HA LYS 28 10.825 -4.925 -6.898 208 HB2 LYS 28 HB2 LYS 28 13.199 -5.840 -5.249 209 HB3 LYS 28 HB3 LYS 28 12.329 -6.864 -6.373 210 HG2 LYS 28 HG2 LYS 28 12.774 -4.769 -8.030 211 HG3 LYS 28 HG3 LYS 28 14.120 -4.511 -6.938 212 HD2 LYS 28 HD2 LYS 28 13.606 -7.278 -8.073 213 HD3 LYS 28 HD3 LYS 28 14.432 -6.076 -9.045 214 HE2 LYS 28 HE2 LYS 28 16.012 -5.743 -7.006 215 HE3 LYS 28 HE3 LYS 28 15.308 -7.211 -6.357 216 HZ1 LYS 28 HZ1 LYS 28 16.105 -8.444 -8.219 217 HZ2 LYS 28 HZ2 LYS 28 16.490 -7.113 -9.075 218 H LYS 29 HN LYS 29 11.013 -4.319 -3.458 219 HA LYS 29 HA LYS 29 9.690 -6.632 -2.572 220 HB2 LYS 29 HB2 LYS 29 10.039 -3.863 -1.405 221 HB3 LYS 29 HB3 LYS 29 9.183 -5.138 -0.564 222 HG2 LYS 29 HG2 LYS 29 12.048 -5.382 -1.597 223 HG3 LYS 29 HG3 LYS 29 11.626 -4.985 0.057 224 HD2 LYS 29 HD2 LYS 29 10.100 -7.285 -0.453 225 HD3 LYS 29 HD3 LYS 29 11.597 -7.604 -1.308 226 HE2 LYS 29 HE2 LYS 29 11.738 -6.515 1.512 227 HE3 LYS 29 HE3 LYS 29 11.351 -8.208 1.282 228 HZ1 LYS 29 HZ1 LYS 29 13.783 -6.838 0.268 229 HZ2 LYS 29 HZ2 LYS 29 13.732 -7.954 1.453 230 H CYS 30 HN CYS 30 8.622 -3.648 -4.142 231 HA CYS 30 HA CYS 30 5.858 -4.513 -3.704 232 HB2 CYS 30 HB2 CYS 30 6.997 -1.753 -4.224 233 HB3 CYS 30 HB3 CYS 30 5.288 -2.119 -4.348 234 H HIS 31 HN HIS 31 8.400 -3.480 -6.016 235 HA HIS 31 HA HIS 31 6.604 -4.271 -8.192 236 HB2 HIS 31 HB2 HIS 31 8.961 -2.364 -8.229 237 HB3 HIS 31 HB3 HIS 31 8.045 -2.855 -9.640 238 HD1 HIS 31 HD1 HIS 31 5.238 -2.385 -9.204 239 HD2 HIS 31 HD2 HIS 31 8.075 0.018 -7.261 240 HE1 HIS 31 HE1 HIS 31 4.023 -0.242 -8.537 241 H GLU 32 HN GLU 32 7.250 -6.532 -7.487 242 HA GLU 32 HA GLU 32 9.882 -7.359 -7.649 243 HB2 GLU 32 HB2 GLU 32 8.896 -9.654 -7.858 244 HB3 GLU 32 HB3 GLU 32 8.188 -8.720 -6.555 245 HG2 GLU 32 HG2 GLU 32 6.202 -9.368 -7.503 246 HG3 GLU 32 HG3 GLU 32 6.492 -8.014 -8.578 247 HE2 GLU 32 HE2 GLU 32 5.680 -10.903 -10.454 248 H LYS 33 HN LYS 33 7.293 -7.060 -10.124 249 HA LYS 33 HA LYS 33 9.130 -8.091 -12.140 250 HB2 LYS 33 HB2 LYS 33 7.268 -8.456 -13.496 251 HB3 LYS 33 HB3 LYS 33 6.697 -8.862 -11.891 252 HG2 LYS 33 HG2 LYS 33 5.057 -7.312 -12.076 253 HG3 LYS 33 HG3 LYS 33 6.261 -6.047 -12.223 254 HD2 LYS 33 HD2 LYS 33 6.414 -6.500 -14.691 255 HD3 LYS 33 HD3 LYS 33 5.179 -7.733 -14.531 256 HE2 LYS 33 HE2 LYS 33 4.610 -4.939 -13.507 257 HE3 LYS 33 HE3 LYS 33 4.517 -5.250 -15.229 258 HZ1 LYS 33 HZ1 LYS 33 2.697 -6.599 -14.950 259 HZ2 LYS 33 HZ2 LYS 33 3.138 -7.146 -13.482 260 H GLY 34 HN GLY 34 9.934 -5.675 -10.907 261 HA2 GLY 34 HA1 GLY 34 10.825 -3.723 -11.621 262 HA3 GLY 34 HA2 GLY 34 10.157 -4.003 -13.217 263 HA PRO 35 HA PRO 35 7.985 -0.692 -10.297 264 HB2 PRO 35 HB2 PRO 35 9.215 1.027 -12.469 265 HB3 PRO 35 HB3 PRO 35 8.978 1.346 -10.720 266 HG2 PRO 35 HG2 PRO 35 11.473 0.620 -11.635 267 HG3 PRO 35 HG3 PRO 35 10.632 0.252 -10.094 268 HD2 PRO 35 HD2 PRO 35 11.112 -1.493 -12.547 269 HD3 PRO 35 HD3 PRO 35 11.155 -1.942 -10.815 270 H GLY 36 HN GLY 36 5.914 0.182 -10.928 271 HA2 GLY 36 HA1 GLY 36 4.806 0.935 -13.137 272 HA3 GLY 36 HA2 GLY 36 5.038 -0.745 -13.578 273 H LYS 37 HN LYS 37 2.676 -0.944 -13.729 274 HA LYS 37 HA LYS 37 1.166 -0.593 -11.307 275 HB2 LYS 37 HB2 LYS 37 -0.680 -0.735 -12.629 276 HB3 LYS 37 HB3 LYS 37 0.484 -0.263 -13.851 277 HG2 LYS 37 HG2 LYS 37 -0.258 -3.160 -13.222 278 HG3 LYS 37 HG3 LYS 37 -0.967 -2.225 -14.523 279 HD2 LYS 37 HD2 LYS 37 1.515 -1.817 -15.291 280 HD3 LYS 37 HD3 LYS 37 1.910 -3.157 -14.233 281 HE2 LYS 37 HE2 LYS 37 1.118 -4.682 -15.724 282 HE3 LYS 37 HE3 LYS 37 -0.405 -3.831 -15.889 283 HZ1 LYS 37 HZ1 LYS 37 1.967 -2.709 -17.215 284 HZ2 LYS 37 HZ2 LYS 37 1.222 -3.980 -17.908 285 H ILE 38 HN ILE 38 -0.149 -2.396 -10.371 286 HA ILE 38 HA ILE 38 1.398 -4.891 -10.508 287 HB ILE 38 HB ILE 38 -0.100 -3.661 -8.192 288 HG12 ILE 38 HG12 ILE 38 2.858 -4.235 -8.339 289 HG13 ILE 38 HG13 ILE 38 2.197 -2.726 -8.935 290 HG21 ILE 38 HG21 ILE 38 0.091 -6.320 -8.622 291 HG22 ILE 38 HG22 ILE 38 1.629 -6.029 -7.775 292 HG23 ILE 38 HG23 ILE 38 0.090 -5.570 -7.008 293 HD11 ILE 38 HD11 ILE 38 2.947 -2.593 -6.540 294 HD12 ILE 38 HD12 ILE 38 1.219 -2.216 -6.743 295 HD13 ILE 38 HD13 ILE 38 1.715 -3.808 -6.121 296 H GLU 39 HN GLU 39 0.177 -5.754 -12.259 297 HA GLU 39 HA GLU 39 -2.618 -5.758 -12.207 298 HB2 GLU 39 HB2 GLU 39 -2.341 -7.532 -14.012 299 HB3 GLU 39 HB3 GLU 39 -1.516 -6.017 -14.321 300 HG2 GLU 39 HG2 GLU 39 0.561 -6.976 -14.204 301 HG3 GLU 39 HG3 GLU 39 0.145 -7.942 -12.802 302 HE2 GLU 39 HE2 GLU 39 0.788 -10.214 -15.374 303 H GLY 40 HN GLY 40 -3.568 -6.615 -10.355 304 HA2 GLY 40 HA1 GLY 40 -4.404 -8.976 -9.892 305 HA3 GLY 40 HA2 GLY 40 -2.721 -9.324 -9.550 306 H PHE 41 HN PHE 41 -2.831 -6.184 -8.657 307 HA PHE 41 HA PHE 41 -2.710 -6.674 -5.950 308 HB2 PHE 41 HB2 PHE 41 -1.864 -4.646 -7.162 309 HB3 PHE 41 HB3 PHE 41 -3.501 -4.199 -7.598 310 HD1 PHE 41 HD2 PHE 41 -1.284 -4.690 -4.655 311 HD2 PHE 41 HD1 PHE 41 -4.747 -2.793 -6.210 312 HE1 PHE 41 HE2 PHE 41 -1.463 -3.306 -2.568 313 HE2 PHE 41 HE1 PHE 41 -4.926 -1.409 -4.123 314 HZ PHE 41 HZ PHE 41 -3.282 -1.682 -2.328 315 H GLY 42 HN GLY 42 -4.188 -5.539 -4.258 316 HA2 GLY 42 HA1 GLY 42 -6.639 -4.751 -4.240 317 HA3 GLY 42 HA2 GLY 42 -6.951 -6.364 -4.847 318 H LYS 43 HN LYS 43 -8.200 -5.887 -2.540 319 HA LYS 43 HA LYS 43 -7.115 -5.940 -0.137 320 HB2 LYS 43 HB2 LYS 43 -8.952 -7.823 0.320 321 HB3 LYS 43 HB3 LYS 43 -9.367 -6.150 0.005 322 HG2 LYS 43 HG2 LYS 43 -10.254 -6.613 -2.068 323 HG3 LYS 43 HG3 LYS 43 -9.018 -7.795 -2.451 324 HD2 LYS 43 HD2 LYS 43 -11.170 -8.942 -2.240 325 HD3 LYS 43 HD3 LYS 43 -10.130 -9.444 -0.922 326 HE2 LYS 43 HE2 LYS 43 -11.287 -7.409 0.366 327 HE3 LYS 43 HE3 LYS 43 -12.538 -7.613 -0.844 328 HZ1 LYS 43 HZ1 LYS 43 -11.620 -10.054 0.464 329 HZ2 LYS 43 HZ2 LYS 43 -12.489 -9.036 1.392 330 H GLU 44 HN GLU 44 -6.978 -8.638 -2.495 331 HA GLU 44 HA GLU 44 -6.190 -10.699 -1.071 332 HB2 GLU 44 HB2 GLU 44 -5.843 -9.825 -3.758 333 HB3 GLU 44 HB3 GLU 44 -4.271 -10.399 -3.240 334 HG2 GLU 44 HG2 GLU 44 -6.823 -12.009 -2.798 335 HG3 GLU 44 HG3 GLU 44 -5.857 -12.161 -4.252 336 HE2 GLU 44 HE2 GLU 44 -4.248 -14.207 -3.644 337 H MET 45 HN MET 45 -3.607 -8.551 -2.465 338 HA MET 45 HA MET 45 -1.829 -9.426 -0.421 339 HB2 MET 45 HB2 MET 45 -1.587 -8.481 -3.039 340 HB3 MET 45 HB3 MET 45 -1.078 -7.080 -2.117 341 HG2 MET 45 HG2 MET 45 0.481 -8.688 -0.807 342 HG3 MET 45 HG3 MET 45 0.121 -9.883 -2.037 343 HE1 MET 45 HE1 MET 45 1.364 -8.290 -5.295 344 HE2 MET 45 HE2 MET 45 0.138 -9.318 -4.514 345 HE3 MET 45 HE3 MET 45 -0.140 -7.567 -4.675 346 H ALA 46 HN ALA 46 -3.617 -6.418 -1.278 347 HA ALA 46 HA ALA 46 -2.456 -4.624 0.401 348 HB1 ALA 46 HB1 ALA 46 -4.421 -3.367 0.132 349 HB2 ALA 46 HB2 ALA 46 -4.444 -4.447 -1.283 350 HB3 ALA 46 HB3 ALA 46 -5.461 -4.812 0.131 351 H HIS 47 HN HIS 47 -4.281 -7.514 1.210 352 HA HIS 47 HA HIS 47 -4.484 -6.594 3.976 353 HB2 HIS 47 HB2 HIS 47 -5.840 -8.895 2.542 354 HB3 HIS 47 HB3 HIS 47 -6.020 -8.539 4.249 355 HD1 HIS 47 HD1 HIS 47 -8.429 -8.493 2.235 356 HD2 HIS 47 HD2 HIS 47 -6.254 -5.124 3.464 357 HE1 HIS 47 HE1 HIS 47 -9.964 -6.485 1.885 358 H GLY 48 HN GLY 48 -3.614 -9.552 2.043 359 HA2 GLY 48 HA1 GLY 48 -2.358 -10.937 4.104 360 HA3 GLY 48 HA2 GLY 48 -2.059 -11.135 2.389 361 H LYS 49 HN LYS 49 0.209 -11.388 2.544 362 HA LYS 49 HA LYS 49 1.748 -9.438 3.977 363 HB2 LYS 49 HB2 LYS 49 2.128 -12.062 3.329 364 HB3 LYS 49 HB3 LYS 49 3.103 -11.281 2.100 365 HG2 LYS 49 HG2 LYS 49 4.726 -10.897 3.632 366 HG3 LYS 49 HG3 LYS 49 3.624 -9.886 4.546 367 HD2 LYS 49 HD2 LYS 49 3.205 -11.519 6.105 368 HD3 LYS 49 HD3 LYS 49 3.132 -12.792 4.904 369 HE2 LYS 49 HE2 LYS 49 5.858 -11.713 5.153 370 HE3 LYS 49 HE3 LYS 49 5.257 -12.290 6.695 371 HZ1 LYS 49 HZ1 LYS 49 5.450 -13.847 4.180 372 HZ2 LYS 49 HZ2 LYS 49 6.217 -14.147 5.584 373 H GLY 50 HN GLY 50 0.256 -7.895 2.394 374 HA2 GLY 50 HA1 GLY 50 1.942 -7.296 0.040 375 HA3 GLY 50 HA2 GLY 50 0.231 -6.944 0.180 376 H CYS 51 HN CYS 51 -0.315 -5.576 2.322 377 HA CYS 51 HA CYS 51 1.688 -3.438 2.409 378 HB2 CYS 51 HB2 CYS 51 -1.293 -3.122 2.791 379 HB3 CYS 51 HB3 CYS 51 -0.092 -1.849 2.716 380 H LYS 52 HN LYS 52 -1.005 -5.112 4.190 381 HA LYS 52 HA LYS 52 -0.302 -4.057 6.699 382 HB2 LYS 52 HB2 LYS 52 -1.778 -6.653 6.265 383 HB3 LYS 52 HB3 LYS 52 -1.956 -5.497 7.569 384 HG2 LYS 52 HG2 LYS 52 -2.496 -3.895 5.384 385 HG3 LYS 52 HG3 LYS 52 -3.100 -5.438 4.815 386 HD2 LYS 52 HD2 LYS 52 -3.874 -4.127 7.465 387 HD3 LYS 52 HD3 LYS 52 -4.853 -4.105 6.013 388 HE2 LYS 52 HE2 LYS 52 -5.530 -6.294 6.266 389 HE3 LYS 52 HE3 LYS 52 -3.963 -6.824 6.846 390 HZ1 LYS 52 HZ1 LYS 52 -4.917 -5.180 8.834 391 HZ2 LYS 52 HZ2 LYS 52 -6.234 -6.023 8.377 392 H GLY 53 HN GLY 53 1.038 -6.584 4.687 393 HA2 GLY 53 HA1 GLY 53 2.177 -8.203 6.705 394 HA3 GLY 53 HA2 GLY 53 2.665 -8.102 5.025 395 H CYS 54 HN CYS 54 3.486 -5.460 4.707 396 HA CYS 54 HA CYS 54 5.910 -5.515 6.268 397 HB2 CYS 54 HB2 CYS 54 5.723 -5.099 3.713 398 HB3 CYS 54 HB3 CYS 54 5.239 -3.472 4.148 399 H HIS 55 HN HIS 55 3.160 -4.860 7.427 400 HA HIS 55 HA HIS 55 3.827 -2.162 8.358 401 HB2 HIS 55 HB2 HIS 55 1.179 -3.387 7.626 402 HB3 HIS 55 HB3 HIS 55 1.251 -2.107 8.819 403 HD1 HIS 55 HD1 HIS 55 -0.286 -1.100 6.643 404 HD2 HIS 55 HD2 HIS 55 3.895 -1.205 6.313 405 HE1 HIS 55 HE1 HIS 55 0.328 0.557 4.802 406 H GLU 56 HN GLU 56 1.663 -4.926 9.317 407 HA GLU 56 HA GLU 56 1.789 -4.458 11.985 408 HB2 GLU 56 HB2 GLU 56 1.063 -6.714 10.230 409 HB3 GLU 56 HB3 GLU 56 1.619 -7.244 11.804 410 HG2 GLU 56 HG2 GLU 56 0.008 -5.498 12.819 411 HG3 GLU 56 HG3 GLU 56 -0.660 -5.308 11.211 412 HE2 GLU 56 HE2 GLU 56 -2.217 -7.793 13.439 413 H GLU 57 HN GLU 57 3.989 -6.474 9.943 414 HA GLU 57 HA GLU 57 5.479 -7.552 11.961 415 HB2 GLU 57 HB2 GLU 57 5.879 -6.975 9.061 416 HB3 GLU 57 HB3 GLU 57 7.349 -7.233 9.980 417 HG2 GLU 57 HG2 GLU 57 5.560 -9.252 10.873 418 HG3 GLU 57 HG3 GLU 57 5.336 -9.182 9.136 419 HE2 GLU 57 HE2 GLU 57 7.902 -11.120 8.632 420 H MET 58 HN MET 58 5.474 -4.269 10.614 421 HA MET 58 HA MET 58 7.873 -3.660 12.127 422 HB2 MET 58 HB2 MET 58 6.285 -1.789 10.300 423 HB3 MET 58 HB3 MET 58 7.965 -1.635 10.772 424 HG2 MET 58 HG2 MET 58 8.334 -3.922 9.571 425 HG3 MET 58 HG3 MET 58 6.746 -3.680 8.872 426 HE1 MET 58 HE1 MET 58 10.522 -2.929 7.827 427 HE2 MET 58 HE2 MET 58 10.522 -1.234 8.370 428 HE3 MET 58 HE3 MET 58 10.138 -2.537 9.520 429 H LYS 59 HN LYS 59 4.496 -3.676 12.488 430 HA LYS 59 HA LYS 59 3.072 -2.703 13.871 431 HB2 LYS 59 HB2 LYS 59 5.543 -2.244 15.571 432 HB3 LYS 59 HB3 LYS 59 3.885 -2.195 16.136 433 HG2 LYS 59 HG2 LYS 59 5.025 -4.648 14.735 434 HG3 LYS 59 HG3 LYS 59 5.190 -4.416 16.464 435 HD2 LYS 59 HD2 LYS 59 2.522 -3.942 16.240 436 HD3 LYS 59 HD3 LYS 59 2.722 -4.986 14.847 437 HE2 LYS 59 HE2 LYS 59 4.158 -6.051 17.179 438 HE3 LYS 59 HE3 LYS 59 2.464 -5.798 17.545 439 HZ1 LYS 59 HZ1 LYS 59 3.566 -7.854 16.005 440 HZ2 LYS 59 HZ2 LYS 59 1.989 -7.609 16.332 441 H LYS 60 HN LYS 60 3.517 -1.109 11.754 442 HA LYS 60 HA LYS 60 3.042 1.465 12.850 443 HB2 LYS 60 HB2 LYS 60 5.754 0.831 11.796 444 HB3 LYS 60 HB3 LYS 60 5.046 2.349 11.282 445 HG2 LYS 60 HG2 LYS 60 4.498 2.131 14.079 446 HG3 LYS 60 HG3 LYS 60 6.168 1.644 13.875 447 HD2 LYS 60 HD2 LYS 60 6.844 3.738 13.118 448 HD3 LYS 60 HD3 LYS 60 5.303 4.086 12.359 449 HE2 LYS 60 HE2 LYS 60 4.447 4.062 14.919 450 HE3 LYS 60 HE3 LYS 60 6.128 4.441 15.238 451 HZ1 LYS 60 HZ1 LYS 60 5.959 6.439 14.069 452 HZ2 LYS 60 HZ2 LYS 60 4.674 5.976 13.183 453 H GLY 61 HN GLY 61 1.605 2.478 11.528 454 HA2 GLY 61 HA1 GLY 61 1.111 3.166 9.250 455 HA3 GLY 61 HA2 GLY 61 1.482 1.536 8.726 456 HA PRO 62 HA PRO 62 -3.123 2.061 9.587 457 HB2 PRO 62 HB2 PRO 62 -3.995 1.547 7.056 458 HB3 PRO 62 HB3 PRO 62 -3.403 3.168 7.543 459 HG2 PRO 62 HG2 PRO 62 -1.791 1.068 6.153 460 HG3 PRO 62 HG3 PRO 62 -1.987 2.786 5.674 461 HD2 PRO 62 HD2 PRO 62 0.151 2.003 7.137 462 HD3 PRO 62 HD3 PRO 62 -0.699 3.520 7.558 463 H THR 63 HN THR 63 -3.249 0.136 10.848 464 HA THR 63 HA THR 63 -3.073 -2.358 9.288 465 HB THR 63 HB THR 63 -2.663 -3.288 11.709 466 HG1 THR 63 HG1 THR 63 -1.839 -0.503 11.994 467 HG21 THR 63 HG21 THR 63 -0.565 -3.362 10.771 468 HG22 THR 63 HG22 THR 63 -0.821 -1.831 9.899 469 HG23 THR 63 HG23 THR 63 -0.288 -1.810 11.598 470 H LYS 64 HN LYS 64 -5.250 -0.143 10.492 471 HA LYS 64 HA LYS 64 -7.173 -2.260 11.154 472 HB2 LYS 64 HB2 LYS 64 -7.265 0.687 11.866 473 HB3 LYS 64 HB3 LYS 64 -8.428 -0.532 12.345 474 HG2 LYS 64 HG2 LYS 64 -5.485 -0.894 12.998 475 HG3 LYS 64 HG3 LYS 64 -6.493 0.121 14.010 476 HD2 LYS 64 HD2 LYS 64 -7.898 -2.365 13.483 477 HD3 LYS 64 HD3 LYS 64 -6.280 -2.739 14.043 478 HE2 LYS 64 HE2 LYS 64 -8.034 -0.702 15.479 479 HE3 LYS 64 HE3 LYS 64 -8.127 -2.413 15.846 480 HZ1 LYS 64 HZ1 LYS 64 -6.493 -1.030 17.206 481 HZ2 LYS 64 HZ2 LYS 64 -5.898 -2.416 16.591 482 H CYS 65 HN CYS 65 -9.493 -1.712 10.440 483 HA CYS 65 HA CYS 65 -9.351 -1.170 7.633 484 HB2 CYS 65 HB2 CYS 65 -11.992 -1.500 8.919 485 HB3 CYS 65 HB3 CYS 65 -11.343 -2.221 7.459 486 H GLY 66 HN GLY 66 -9.568 0.679 10.468 487 HA2 GLY 66 HA1 GLY 66 -11.330 2.716 9.296 488 HA3 GLY 66 HA2 GLY 66 -10.794 2.616 10.961 489 H GLU 67 HN GLU 67 -8.138 1.847 9.004 490 HA GLU 67 HA GLU 67 -7.243 4.616 9.171 491 HB2 GLU 67 HB2 GLU 67 -6.102 2.436 10.349 492 HB3 GLU 67 HB3 GLU 67 -5.248 2.414 8.819 493 HG2 GLU 67 HG2 GLU 67 -5.334 4.651 10.878 494 HG3 GLU 67 HG3 GLU 67 -3.929 3.785 10.288 495 HE2 GLU 67 HE2 GLU 67 -5.563 6.828 9.453 496 H CYS 68 HN CYS 68 -7.298 1.634 7.146 497 HA CYS 68 HA CYS 68 -6.117 3.063 4.940 498 HB2 CYS 68 HB2 CYS 68 -6.706 0.236 5.592 499 HB3 CYS 68 HB3 CYS 68 -6.909 0.657 3.903 500 H HIS 69 HN HIS 69 -9.222 1.332 5.735 501 HA HIS 69 HA HIS 69 -10.480 2.574 3.456 502 HB2 HIS 69 HB2 HIS 69 -11.511 0.631 5.540 503 HB3 HIS 69 HB3 HIS 69 -12.448 1.217 4.180 504 HD1 HIS 69 HD1 HIS 69 -11.265 0.675 1.712 505 HD2 HIS 69 HD2 HIS 69 -10.103 -1.653 5.002 506 HE1 HIS 69 HE1 HIS 69 -10.196 -1.435 0.753 507 H LYS 70 HN LYS 70 -10.179 4.815 4.220 508 HA LYS 70 HA LYS 70 -12.494 5.721 5.562 509 HB2 LYS 70 HB2 LYS 70 -10.565 4.900 7.337 510 HB3 LYS 70 HB3 LYS 70 -10.180 6.601 7.162 511 HG2 LYS 70 HG2 LYS 70 -13.090 5.958 7.457 512 HG3 LYS 70 HG3 LYS 70 -12.099 5.645 8.868 513 HD2 LYS 70 HD2 LYS 70 -11.611 8.267 7.508 514 HD3 LYS 70 HD3 LYS 70 -13.177 8.096 8.275 515 HE2 LYS 70 HE2 LYS 70 -12.222 8.492 10.293 516 HE3 LYS 70 HE3 LYS 70 -11.270 7.031 10.123 517 HZ1 LYS 70 HZ1 LYS 70 -9.598 8.579 10.206 518 HZ2 LYS 70 HZ2 LYS 70 -9.839 8.645 8.596 519 H LYS 71 HN LYS 71 -12.410 6.614 3.322 520 HA LYS 71 HA LYS 71 -10.514 8.154 2.230 521 HB2 LYS 71 HB2 LYS 71 -12.123 8.714 0.770 522 HB3 LYS 71 HB3 LYS 71 -13.131 7.618 1.694 523 HG2 LYS 71 HG2 LYS 71 -13.901 9.524 3.120 524 HG3 LYS 71 HG3 LYS 71 -12.888 10.622 2.204 525 HD2 LYS 71 HD2 LYS 71 -14.356 10.714 0.450 526 HD3 LYS 71 HD3 LYS 71 -14.648 8.986 0.478 527 HE2 LYS 71 HE2 LYS 71 -16.739 10.048 1.061 528 HE3 LYS 71 HE3 LYS 71 -16.112 9.336 2.536 529 HZ1 LYS 71 HZ1 LYS 71 -15.033 11.726 2.759 530 HZ2 LYS 71 HZ2 LYS 71 -16.286 12.168 1.817 Start of MODEL 8 1 H1 ALA 1 HN ALA 1 -0.592 14.176 -4.464 2 HA ALA 1 HA ALA 1 -0.364 14.940 -7.291 3 HB1 ALA 1 HB1 ALA 1 0.501 16.840 -6.261 4 HB2 ALA 1 HB2 ALA 1 1.119 15.930 -4.862 5 HB3 ALA 1 HB3 ALA 1 1.964 15.840 -6.426 6 H ASP 2 HN ASP 2 2.476 14.230 -5.369 7 HA ASP 2 HA ASP 2 3.170 12.113 -7.002 8 HB2 ASP 2 HB2 ASP 2 4.142 12.648 -4.157 9 HB3 ASP 2 HB3 ASP 2 4.999 11.739 -5.386 10 HD2 ASP 2 HD2 ASP 2 4.303 15.571 -5.961 11 H ASP 3 HN ASP 3 1.136 12.384 -4.147 12 HA ASP 3 HA ASP 3 1.451 9.876 -3.061 13 HB2 ASP 3 HB2 ASP 3 0.095 11.970 -2.252 14 HB3 ASP 3 HB3 ASP 3 -1.218 11.327 -3.218 15 HD2 ASP 3 HD2 ASP 3 0.845 10.577 -0.579 16 H ILE 4 HN ILE 4 -0.916 8.466 -3.037 17 HA ILE 4 HA ILE 4 -1.923 8.210 -5.733 18 HB ILE 4 HB ILE 4 -0.220 6.115 -4.409 19 HG12 ILE 4 HG12 ILE 4 -0.139 7.685 -6.963 20 HG13 ILE 4 HG13 ILE 4 1.134 7.385 -5.796 21 HG21 ILE 4 HG21 ILE 4 -2.100 5.644 -6.737 22 HG22 ILE 4 HG22 ILE 4 -1.014 4.465 -5.963 23 HG23 ILE 4 HG23 ILE 4 -2.405 5.117 -5.064 24 HD11 ILE 4 HD11 ILE 4 1.508 6.074 -7.862 25 HD12 ILE 4 HD12 ILE 4 1.217 4.992 -6.479 26 HD13 ILE 4 HD13 ILE 4 -0.079 5.293 -7.662 27 H VAL 5 HN VAL 5 -4.068 7.724 -5.676 28 HA VAL 5 HA VAL 5 -5.085 6.753 -3.094 29 HB VAL 5 HB VAL 5 -6.549 8.441 -5.124 30 HG11 VAL 5 HG11 VAL 5 -7.114 7.732 -2.226 31 HG12 VAL 5 HG12 VAL 5 -8.042 8.911 -3.184 32 HG13 VAL 5 HG13 VAL 5 -8.022 7.196 -3.660 33 HG21 VAL 5 HG21 VAL 5 -5.281 9.454 -2.565 34 HG22 VAL 5 HG22 VAL 5 -4.495 9.574 -4.157 35 HG23 VAL 5 HG23 VAL 5 -6.045 10.399 -3.866 36 H PHE 6 HN PHE 6 -6.587 5.051 -3.104 37 HA PHE 6 HA PHE 6 -7.018 3.850 -5.749 38 HB2 PHE 6 HB2 PHE 6 -6.451 2.646 -2.976 39 HB3 PHE 6 HB3 PHE 6 -6.960 1.668 -4.338 40 HD1 PHE 6 HD2 PHE 6 -5.452 1.306 -6.241 41 HD2 PHE 6 HD1 PHE 6 -4.204 3.514 -2.839 42 HE1 PHE 6 HE2 PHE 6 -3.060 1.063 -6.961 43 HE2 PHE 6 HE1 PHE 6 -1.812 3.271 -3.559 44 HZ PHE 6 HZ PHE 6 -1.268 2.048 -5.611 45 H LYS 7 HN LYS 7 -9.145 4.176 -6.244 46 HA LYS 7 HA LYS 7 -11.143 4.785 -4.489 47 HB2 LYS 7 HB2 LYS 7 -11.024 3.664 -7.254 48 HB3 LYS 7 HB3 LYS 7 -12.566 3.605 -6.425 49 HG2 LYS 7 HG2 LYS 7 -11.713 6.186 -5.841 50 HG3 LYS 7 HG3 LYS 7 -11.064 5.953 -7.453 51 HD2 LYS 7 HD2 LYS 7 -13.416 5.101 -8.124 52 HD3 LYS 7 HD3 LYS 7 -13.973 5.709 -6.578 53 HE2 LYS 7 HE2 LYS 7 -13.208 7.991 -7.155 54 HE3 LYS 7 HE3 LYS 7 -12.519 7.412 -8.658 55 HZ1 LYS 7 HZ1 LYS 7 -14.943 6.580 -9.074 56 HZ2 LYS 7 HZ2 LYS 7 -15.362 7.689 -7.957 57 H ALA 8 HN ALA 8 -12.194 3.728 -2.894 58 HA ALA 8 HA ALA 8 -12.155 0.791 -3.014 59 HB1 ALA 8 HB1 ALA 8 -12.276 1.768 -0.303 60 HB2 ALA 8 HB2 ALA 8 -11.044 0.733 -1.064 61 HB3 ALA 8 HB3 ALA 8 -10.880 2.504 -1.127 62 H LYS 9 HN LYS 9 -14.024 -0.255 -2.037 63 HA LYS 9 HA LYS 9 -16.380 1.405 -2.328 64 HB2 LYS 9 HB2 LYS 9 -16.299 -1.562 -1.762 65 HB3 LYS 9 HB3 LYS 9 -17.593 -0.627 -2.485 66 HG2 LYS 9 HG2 LYS 9 -15.672 -0.029 -4.281 67 HG3 LYS 9 HG3 LYS 9 -14.994 -1.540 -3.710 68 HD2 LYS 9 HD2 LYS 9 -17.684 -2.195 -4.054 69 HD3 LYS 9 HD3 LYS 9 -17.407 -1.066 -5.365 70 HE2 LYS 9 HE2 LYS 9 -15.964 -2.487 -6.475 71 HE3 LYS 9 HE3 LYS 9 -15.247 -3.091 -4.994 72 HZ1 LYS 9 HZ1 LYS 9 -16.487 -4.909 -5.568 73 HZ2 LYS 9 HZ2 LYS 9 -17.678 -4.134 -4.772 74 H ASN 10 HN ASN 10 -14.297 1.407 0.024 75 HA ASN 10 HA ASN 10 -16.367 1.582 2.013 76 HB2 ASN 10 HB2 ASN 10 -14.377 -0.579 1.930 77 HB3 ASN 10 HB3 ASN 10 -14.183 0.371 3.390 78 HD21 ASN 10 HD21 ASN 10 -14.870 -2.063 3.869 79 HD22 ASN 10 HD22 ASN 10 -16.542 -2.267 4.275 80 H GLY 11 HN GLY 11 -14.482 3.351 0.402 81 HA2 GLY 11 HA1 GLY 11 -13.785 5.461 1.327 82 HA3 GLY 11 HA2 GLY 11 -13.072 4.604 2.679 83 H ASP 12 HN ASP 12 -12.097 6.392 0.226 84 HA ASP 12 HA ASP 12 -10.498 4.892 -1.382 85 HB2 ASP 12 HB2 ASP 12 -10.730 7.689 -0.557 86 HB3 ASP 12 HB3 ASP 12 -9.045 7.270 -0.788 87 HD2 ASP 12 HD2 ASP 12 -9.118 5.685 -2.892 88 H VAL 13 HN VAL 13 -8.299 4.126 -1.203 89 HA VAL 13 HA VAL 13 -7.262 4.146 1.542 90 HB VAL 13 HB VAL 13 -7.173 2.186 -0.725 91 HG11 VAL 13 HG11 VAL 13 -5.510 1.010 1.074 92 HG12 VAL 13 HG12 VAL 13 -4.956 1.920 -0.352 93 HG13 VAL 13 HG13 VAL 13 -5.018 2.713 1.240 94 HG21 VAL 13 HG21 VAL 13 -7.493 1.539 2.194 95 HG22 VAL 13 HG22 VAL 13 -8.852 2.247 1.288 96 HG23 VAL 13 HG23 VAL 13 -8.144 0.700 0.765 97 H LYS 14 HN LYS 14 -5.963 5.948 1.675 98 HA LYS 14 HA LYS 14 -4.398 6.801 -0.539 99 HB2 LYS 14 HB2 LYS 14 -5.301 7.887 1.892 100 HB3 LYS 14 HB3 LYS 14 -3.554 7.860 2.028 101 HG2 LYS 14 HG2 LYS 14 -3.973 8.733 -0.606 102 HG3 LYS 14 HG3 LYS 14 -5.272 9.507 0.280 103 HD2 LYS 14 HD2 LYS 14 -2.684 9.633 1.709 104 HD3 LYS 14 HD3 LYS 14 -2.626 10.406 0.137 105 HE2 LYS 14 HE2 LYS 14 -5.109 11.113 1.508 106 HE3 LYS 14 HE3 LYS 14 -3.735 11.463 2.538 107 HZ1 LYS 14 HZ1 LYS 14 -4.128 12.447 -0.235 108 HZ2 LYS 14 HZ2 LYS 14 -4.126 13.348 1.121 109 H PHE 15 HN PHE 15 -2.139 6.650 -0.855 110 HA PHE 15 HA PHE 15 -0.663 5.000 1.016 111 HB2 PHE 15 HB2 PHE 15 -1.753 3.476 -0.698 112 HB3 PHE 15 HB3 PHE 15 -1.055 4.438 -1.986 113 HD1 PHE 15 HD1 PHE 15 0.635 3.377 1.143 114 HD2 PHE 15 HD2 PHE 15 0.303 2.851 -3.055 115 HE1 PHE 15 HE1 PHE 15 2.680 1.921 1.163 116 HE2 PHE 15 HE2 PHE 15 2.348 1.396 -3.035 117 HZ PHE 15 HZ PHE 15 3.512 0.948 -0.926 118 HA PRO 16 HA PRO 16 2.020 8.395 -0.133 119 HB2 PRO 16 HB2 PRO 16 3.759 7.082 1.916 120 HB3 PRO 16 HB3 PRO 16 3.068 8.736 1.860 121 HG2 PRO 16 HG2 PRO 16 2.145 6.844 3.612 122 HG3 PRO 16 HG3 PRO 16 1.216 8.184 2.866 123 HD2 PRO 16 HD2 PRO 16 1.370 5.229 2.107 124 HD3 PRO 16 HD3 PRO 16 -0.061 6.302 2.170 125 H HIS 17 HN HIS 17 2.606 7.622 -2.277 126 HA HIS 17 HA HIS 17 4.227 5.317 -2.536 127 HB2 HIS 17 HB2 HIS 17 2.616 6.283 -4.242 128 HB3 HIS 17 HB3 HIS 17 3.810 7.526 -4.562 129 HD1 HIS 17 HD1 HIS 17 5.633 6.969 -6.218 130 HD2 HIS 17 HD2 HIS 17 3.599 3.564 -4.852 131 HE1 HIS 17 HE1 HIS 17 6.486 5.016 -7.620 132 H LYS 18 HN LYS 18 4.882 8.865 -3.010 133 HA LYS 18 HA LYS 18 7.618 8.576 -3.363 134 HB2 LYS 18 HB2 LYS 18 6.250 10.580 -3.925 135 HB3 LYS 18 HB3 LYS 18 6.115 10.947 -2.217 136 HG2 LYS 18 HG2 LYS 18 8.599 11.103 -2.042 137 HG3 LYS 18 HG3 LYS 18 8.752 10.702 -3.741 138 HD2 LYS 18 HD2 LYS 18 6.910 12.848 -3.692 139 HD3 LYS 18 HD3 LYS 18 8.112 13.282 -2.493 140 HE2 LYS 18 HE2 LYS 18 9.920 12.792 -4.216 141 HE3 LYS 18 HE3 LYS 18 8.658 12.528 -5.403 142 HZ1 LYS 18 HZ1 LYS 18 8.648 15.047 -3.883 143 HZ2 LYS 18 HZ2 LYS 18 9.691 14.891 -5.124 144 H ALA 19 HN ALA 19 5.608 8.858 -0.404 145 HA ALA 19 HA ALA 19 7.750 9.217 1.373 146 HB1 ALA 19 HB1 ALA 19 5.507 7.767 2.517 147 HB2 ALA 19 HB2 ALA 19 6.027 9.446 2.798 148 HB3 ALA 19 HB3 ALA 19 4.931 9.068 1.447 149 H HIS 20 HN HIS 20 5.873 6.253 0.415 150 HA HIS 20 HA HIS 20 7.450 4.512 1.913 151 HB2 HIS 20 HB2 HIS 20 5.488 4.254 -0.331 152 HB3 HIS 20 HB3 HIS 20 6.490 2.868 0.051 153 HD1 HIS 20 HD1 HIS 20 4.003 5.219 1.752 154 HD2 HIS 20 HD2 HIS 20 5.633 1.380 2.207 155 HE1 HIS 20 HE1 HIS 20 2.709 4.113 3.654 156 H GLN 21 HN GLN 21 8.176 6.352 -0.890 157 HA GLN 21 HA GLN 21 9.989 4.439 -1.985 158 HB2 GLN 21 HB2 GLN 21 9.394 7.357 -2.619 159 HB3 GLN 21 HB3 GLN 21 10.623 6.441 -3.469 160 HG2 GLN 21 HG2 GLN 21 8.016 5.032 -3.274 161 HG3 GLN 21 HG3 GLN 21 7.931 6.540 -4.162 162 HE21 GLN 21 HE21 GLN 21 7.765 5.858 -6.192 163 HE22 GLN 21 HE22 GLN 21 8.923 4.888 -7.040 164 H LYS 22 HN LYS 22 10.007 6.650 0.631 165 HA LYS 22 HA LYS 22 12.927 6.894 0.494 166 HB2 LYS 22 HB2 LYS 22 11.026 8.857 0.862 167 HB3 LYS 22 HB3 LYS 22 11.496 8.491 2.510 168 HG2 LYS 22 HG2 LYS 22 13.946 8.530 1.132 169 HG3 LYS 22 HG3 LYS 22 13.038 9.826 0.378 170 HD2 LYS 22 HD2 LYS 22 12.473 10.247 3.062 171 HD3 LYS 22 HD3 LYS 22 14.111 9.630 3.145 172 HE2 LYS 22 HE2 LYS 22 14.887 11.352 1.548 173 HE3 LYS 22 HE3 LYS 22 13.246 11.924 1.320 174 HZ1 LYS 22 HZ1 LYS 22 13.428 12.144 3.957 175 HZ2 LYS 22 HZ2 LYS 22 15.008 12.331 3.609 176 H ALA 23 HN ALA 23 10.236 5.332 2.050 177 HA ALA 23 HA ALA 23 11.750 4.759 4.453 178 HB1 ALA 23 HB1 ALA 23 9.566 3.328 4.813 179 HB2 ALA 23 HB2 ALA 23 9.495 5.102 4.938 180 HB3 ALA 23 HB3 ALA 23 8.944 4.292 3.452 181 H VAL 24 HN VAL 24 10.435 3.074 1.533 182 HA VAL 24 HA VAL 24 12.155 0.801 2.243 183 HB VAL 24 HB VAL 24 9.687 0.916 0.498 184 HG11 VAL 24 HG11 VAL 24 11.280 -0.799 -0.239 185 HG12 VAL 24 HG12 VAL 24 11.345 -1.460 1.413 186 HG13 VAL 24 HG13 VAL 24 9.830 -1.538 0.482 187 HG21 VAL 24 HG21 VAL 24 10.009 -0.362 3.231 188 HG22 VAL 24 HG22 VAL 24 9.280 1.238 2.955 189 HG23 VAL 24 HG23 VAL 24 8.519 -0.217 2.268 190 HA PRO 25 HA PRO 25 14.669 2.646 -0.986 191 HB2 PRO 25 HB2 PRO 25 16.273 0.196 -0.264 192 HB3 PRO 25 HB3 PRO 25 16.754 1.921 -0.365 193 HG2 PRO 25 HG2 PRO 25 16.391 0.802 2.157 194 HG3 PRO 25 HG3 PRO 25 16.017 2.424 1.489 195 HD2 PRO 25 HD2 PRO 25 14.169 0.001 1.882 196 HD3 PRO 25 HD3 PRO 25 13.926 1.682 2.445 197 H ASP 26 HN ASP 26 14.840 -1.003 -0.797 198 HA ASP 26 HA ASP 26 14.859 -1.270 -3.532 199 HB2 ASP 26 HB2 ASP 26 15.545 -3.042 -1.929 200 HB3 ASP 26 HB3 ASP 26 13.889 -3.209 -1.380 201 HD2 ASP 26 HD2 ASP 26 14.242 -5.387 -1.972 202 H CYS 27 HN CYS 27 13.184 -1.161 -5.051 203 HA CYS 27 HA CYS 27 10.508 -0.792 -4.013 204 HB2 CYS 27 HB2 CYS 27 11.601 -0.479 -6.817 205 HB3 CYS 27 HB3 CYS 27 9.959 -0.119 -6.321 206 H LYS 28 HN LYS 28 12.599 -3.160 -5.549 207 HA LYS 28 HA LYS 28 10.845 -4.689 -6.985 208 HB2 LYS 28 HB2 LYS 28 13.221 -5.518 -5.296 209 HB3 LYS 28 HB3 LYS 28 12.401 -6.582 -6.420 210 HG2 LYS 28 HG2 LYS 28 12.865 -4.215 -7.902 211 HG3 LYS 28 HG3 LYS 28 14.330 -4.439 -6.968 212 HD2 LYS 28 HD2 LYS 28 13.655 -7.032 -7.915 213 HD3 LYS 28 HD3 LYS 28 13.362 -5.962 -9.271 214 HE2 LYS 28 HE2 LYS 28 15.914 -5.554 -7.724 215 HE3 LYS 28 HE3 LYS 28 15.813 -6.978 -8.739 216 HZ1 LYS 28 HZ1 LYS 28 16.564 -5.392 -10.226 217 HZ2 LYS 28 HZ2 LYS 28 14.964 -5.245 -10.492 218 H LYS 29 HN LYS 29 10.930 -4.076 -3.546 219 HA LYS 29 HA LYS 29 9.675 -6.438 -2.687 220 HB2 LYS 29 HB2 LYS 29 9.936 -3.661 -1.525 221 HB3 LYS 29 HB3 LYS 29 9.048 -4.928 -0.704 222 HG2 LYS 29 HG2 LYS 29 11.935 -5.242 -1.647 223 HG3 LYS 29 HG3 LYS 29 11.500 -4.722 -0.031 224 HD2 LYS 29 HD2 LYS 29 11.155 -6.867 0.616 225 HD3 LYS 29 HD3 LYS 29 9.969 -7.096 -0.654 226 HE2 LYS 29 HE2 LYS 29 11.470 -8.605 -1.497 227 HE3 LYS 29 HE3 LYS 29 12.295 -7.194 -2.127 228 HZ1 LYS 29 HZ1 LYS 29 13.370 -7.226 0.268 229 HZ2 LYS 29 HZ2 LYS 29 12.991 -8.809 0.216 230 H CYS 30 HN CYS 30 8.537 -3.506 -4.300 231 HA CYS 30 HA CYS 30 5.799 -4.487 -3.939 232 HB2 CYS 30 HB2 CYS 30 6.780 -1.659 -4.442 233 HB3 CYS 30 HB3 CYS 30 5.095 -2.139 -4.476 234 H HIS 31 HN HIS 31 8.371 -3.321 -6.146 235 HA HIS 31 HA HIS 31 6.668 -4.110 -8.396 236 HB2 HIS 31 HB2 HIS 31 8.969 -2.140 -8.307 237 HB3 HIS 31 HB3 HIS 31 8.127 -2.628 -9.764 238 HD1 HIS 31 HD1 HIS 31 5.298 -2.238 -9.456 239 HD2 HIS 31 HD2 HIS 31 7.967 0.185 -7.310 240 HE1 HIS 31 HE1 HIS 31 3.992 -0.149 -8.792 241 H GLU 32 HN GLU 32 7.356 -6.367 -7.701 242 HA GLU 32 HA GLU 32 10.025 -7.105 -7.833 243 HB2 GLU 32 HB2 GLU 32 9.088 -9.439 -8.091 244 HB3 GLU 32 HB3 GLU 32 8.427 -8.544 -6.737 245 HG2 GLU 32 HG2 GLU 32 6.379 -9.076 -7.581 246 HG3 GLU 32 HG3 GLU 32 6.682 -7.838 -8.783 247 HE2 GLU 32 HE2 GLU 32 6.195 -10.343 -11.090 248 H LYS 33 HN LYS 33 7.430 -6.905 -10.314 249 HA LYS 33 HA LYS 33 9.325 -7.846 -12.324 250 HB2 LYS 33 HB2 LYS 33 7.469 -8.267 -13.711 251 HB3 LYS 33 HB3 LYS 33 6.995 -8.816 -12.116 252 HG2 LYS 33 HG2 LYS 33 5.310 -7.287 -11.973 253 HG3 LYS 33 HG3 LYS 33 6.345 -5.975 -12.501 254 HD2 LYS 33 HD2 LYS 33 5.394 -6.020 -14.556 255 HD3 LYS 33 HD3 LYS 33 5.905 -7.682 -14.777 256 HE2 LYS 33 HE2 LYS 33 3.509 -7.232 -13.016 257 HE3 LYS 33 HE3 LYS 33 3.289 -6.944 -14.731 258 HZ1 LYS 33 HZ1 LYS 33 4.075 -9.469 -13.419 259 HZ2 LYS 33 HZ2 LYS 33 2.857 -9.218 -14.470 260 H GLY 34 HN GLY 34 10.009 -5.396 -11.128 261 HA2 GLY 34 HA1 GLY 34 10.775 -3.397 -11.858 262 HA3 GLY 34 HA2 GLY 34 10.089 -3.714 -13.439 263 HA PRO 35 HA PRO 35 7.795 -0.517 -10.504 264 HB2 PRO 35 HB2 PRO 35 8.880 1.261 -12.705 265 HB3 PRO 35 HB3 PRO 35 8.666 1.570 -10.951 266 HG2 PRO 35 HG2 PRO 35 11.194 0.983 -11.909 267 HG3 PRO 35 HG3 PRO 35 10.363 0.565 -10.375 268 HD2 PRO 35 HD2 PRO 35 10.887 -1.134 -12.861 269 HD3 PRO 35 HD3 PRO 35 11.038 -1.587 -11.136 270 H GLY 36 HN GLY 36 5.729 0.475 -11.180 271 HA2 GLY 36 HA1 GLY 36 4.502 1.078 -13.305 272 HA3 GLY 36 HA2 GLY 36 4.840 -0.569 -13.798 273 H LYS 37 HN LYS 37 2.366 -0.581 -13.912 274 HA LYS 37 HA LYS 37 0.931 -0.512 -11.464 275 HB2 LYS 37 HB2 LYS 37 -0.925 -0.707 -12.763 276 HB3 LYS 37 HB3 LYS 37 0.197 -0.154 -13.990 277 HG2 LYS 37 HG2 LYS 37 -0.451 -3.086 -13.418 278 HG3 LYS 37 HG3 LYS 37 -1.145 -2.147 -14.725 279 HD2 LYS 37 HD2 LYS 37 0.955 -1.945 -15.859 280 HD3 LYS 37 HD3 LYS 37 1.871 -2.391 -14.433 281 HE2 LYS 37 HE2 LYS 37 -0.046 -4.497 -15.182 282 HE3 LYS 37 HE3 LYS 37 1.041 -4.121 -16.503 283 HZ1 LYS 37 HZ1 LYS 37 2.638 -5.240 -15.419 284 HZ2 LYS 37 HZ2 LYS 37 2.557 -4.234 -14.141 285 H ILE 38 HN ILE 38 -0.319 -2.422 -10.605 286 HA ILE 38 HA ILE 38 1.338 -4.838 -10.837 287 HB ILE 38 HB ILE 38 -0.111 -3.749 -8.421 288 HG12 ILE 38 HG12 ILE 38 2.868 -4.126 -8.733 289 HG13 ILE 38 HG13 ILE 38 2.079 -2.640 -9.223 290 HG21 ILE 38 HG21 ILE 38 0.020 -5.749 -7.470 291 HG22 ILE 38 HG22 ILE 38 0.490 -6.416 -9.052 292 HG23 ILE 38 HG23 ILE 38 1.741 -5.902 -7.895 293 HD11 ILE 38 HD11 ILE 38 2.830 -2.349 -6.936 294 HD12 ILE 38 HD12 ILE 38 1.057 -2.497 -6.895 295 HD13 ILE 38 HD13 ILE 38 2.076 -3.882 -6.438 296 H GLU 39 HN GLU 39 0.171 -5.949 -12.394 297 HA GLU 39 HA GLU 39 -2.645 -5.951 -12.349 298 HB2 GLU 39 HB2 GLU 39 -0.491 -7.001 -14.031 299 HB3 GLU 39 HB3 GLU 39 -1.776 -8.180 -13.857 300 HG2 GLU 39 HG2 GLU 39 -2.855 -5.478 -14.285 301 HG3 GLU 39 HG3 GLU 39 -1.768 -5.943 -15.578 302 HE2 GLU 39 HE2 GLU 39 -4.421 -6.005 -16.481 303 H GLY 40 HN GLY 40 -3.728 -6.864 -10.641 304 HA2 GLY 40 HA1 GLY 40 -4.435 -9.196 -10.042 305 HA3 GLY 40 HA2 GLY 40 -2.747 -9.477 -9.663 306 H PHE 41 HN PHE 41 -2.625 -6.466 -8.765 307 HA PHE 41 HA PHE 41 -2.677 -6.845 -6.086 308 HB2 PHE 41 HB2 PHE 41 -1.777 -4.853 -7.305 309 HB3 PHE 41 HB3 PHE 41 -3.392 -4.402 -7.814 310 HD1 PHE 41 HD2 PHE 41 -5.041 -3.619 -6.079 311 HD2 PHE 41 HD1 PHE 41 -0.923 -4.162 -5.210 312 HE1 PHE 41 HE2 PHE 41 -5.281 -2.177 -4.038 313 HE2 PHE 41 HE1 PHE 41 -1.163 -2.721 -3.169 314 HZ PHE 41 HZ PHE 41 -3.340 -1.745 -2.608 315 H GLY 42 HN GLY 42 -4.150 -5.946 -4.379 316 HA2 GLY 42 HA1 GLY 42 -6.633 -5.041 -4.483 317 HA3 GLY 42 HA2 GLY 42 -6.902 -6.695 -4.997 318 H LYS 43 HN LYS 43 -8.165 -5.998 -2.705 319 HA LYS 43 HA LYS 43 -7.106 -5.923 -0.307 320 HB2 LYS 43 HB2 LYS 43 -8.939 -7.805 0.236 321 HB3 LYS 43 HB3 LYS 43 -9.348 -6.142 -0.137 322 HG2 LYS 43 HG2 LYS 43 -10.268 -6.683 -2.168 323 HG3 LYS 43 HG3 LYS 43 -9.000 -7.832 -2.550 324 HD2 LYS 43 HD2 LYS 43 -11.264 -8.904 -2.252 325 HD3 LYS 43 HD3 LYS 43 -10.038 -9.562 -1.186 326 HE2 LYS 43 HE2 LYS 43 -11.406 -7.246 0.021 327 HE3 LYS 43 HE3 LYS 43 -12.535 -8.515 -0.410 328 HZ1 LYS 43 HZ1 LYS 43 -10.883 -10.063 0.766 329 HZ2 LYS 43 HZ2 LYS 43 -10.212 -8.725 1.406 330 H GLU 44 HN GLU 44 -7.049 -8.839 -2.420 331 HA GLU 44 HA GLU 44 -6.201 -10.743 -0.825 332 HB2 GLU 44 HB2 GLU 44 -6.067 -10.234 -3.580 333 HB3 GLU 44 HB3 GLU 44 -4.404 -10.582 -3.151 334 HG2 GLU 44 HG2 GLU 44 -6.736 -12.358 -2.304 335 HG3 GLU 44 HG3 GLU 44 -5.842 -12.611 -3.789 336 HE2 GLU 44 HE2 GLU 44 -4.522 -12.135 -0.327 337 H MET 45 HN MET 45 -3.728 -8.666 -2.507 338 HA MET 45 HA MET 45 -1.781 -9.419 -0.596 339 HB2 MET 45 HB2 MET 45 -1.421 -8.829 -3.084 340 HB3 MET 45 HB3 MET 45 -1.697 -7.152 -2.660 341 HG2 MET 45 HG2 MET 45 0.403 -6.916 -1.793 342 HG3 MET 45 HG3 MET 45 0.276 -8.397 -0.865 343 HE1 MET 45 HE1 MET 45 -0.302 -7.463 -4.337 344 HE2 MET 45 HE2 MET 45 1.241 -7.752 -5.176 345 HE3 MET 45 HE3 MET 45 0.014 -9.040 -5.100 346 H ALA 46 HN ALA 46 -3.587 -6.373 -1.375 347 HA ALA 46 HA ALA 46 -2.409 -4.647 0.350 348 HB1 ALA 46 HB1 ALA 46 -4.925 -3.802 0.559 349 HB2 ALA 46 HB2 ALA 46 -4.047 -3.702 -0.986 350 HB3 ALA 46 HB3 ALA 46 -5.199 -5.028 -0.701 351 H HIS 47 HN HIS 47 -4.331 -7.503 1.093 352 HA HIS 47 HA HIS 47 -4.520 -6.647 3.875 353 HB2 HIS 47 HB2 HIS 47 -5.857 -8.921 2.383 354 HB3 HIS 47 HB3 HIS 47 -6.045 -8.613 4.098 355 HD1 HIS 47 HD1 HIS 47 -8.471 -8.531 2.142 356 HD2 HIS 47 HD2 HIS 47 -6.266 -5.170 3.343 357 HE1 HIS 47 HE1 HIS 47 -10.006 -6.517 1.824 358 H GLY 48 HN GLY 48 -3.566 -9.524 1.867 359 HA2 GLY 48 HA1 GLY 48 -2.348 -10.968 3.917 360 HA3 GLY 48 HA2 GLY 48 -2.012 -11.110 2.203 361 H LYS 49 HN LYS 49 0.232 -11.230 2.188 362 HA LYS 49 HA LYS 49 1.746 -9.381 3.799 363 HB2 LYS 49 HB2 LYS 49 2.359 -11.760 2.079 364 HB3 LYS 49 HB3 LYS 49 3.645 -10.627 2.444 365 HG2 LYS 49 HG2 LYS 49 2.284 -11.047 4.911 366 HG3 LYS 49 HG3 LYS 49 2.415 -12.633 4.177 367 HD2 LYS 49 HD2 LYS 49 4.695 -12.705 4.424 368 HD3 LYS 49 HD3 LYS 49 4.901 -11.031 3.946 369 HE2 LYS 49 HE2 LYS 49 4.464 -10.213 6.145 370 HE3 LYS 49 HE3 LYS 49 3.678 -11.698 6.645 371 HZ1 LYS 49 HZ1 LYS 49 5.668 -12.367 7.402 372 HZ2 LYS 49 HZ2 LYS 49 6.266 -12.392 5.887 373 H GLY 50 HN GLY 50 0.177 -7.806 2.280 374 HA2 GLY 50 HA1 GLY 50 1.842 -7.014 -0.028 375 HA3 GLY 50 HA2 GLY 50 0.130 -6.691 0.161 376 H CYS 51 HN CYS 51 -0.373 -5.494 2.433 377 HA CYS 51 HA CYS 51 1.612 -3.347 2.631 378 HB2 CYS 51 HB2 CYS 51 -1.363 -3.037 3.048 379 HB3 CYS 51 HB3 CYS 51 -0.152 -1.771 3.005 380 H LYS 52 HN LYS 52 -1.155 -5.013 4.315 381 HA LYS 52 HA LYS 52 -0.444 -4.157 6.876 382 HB2 LYS 52 HB2 LYS 52 -1.916 -6.719 6.253 383 HB3 LYS 52 HB3 LYS 52 -2.086 -5.677 7.651 384 HG2 LYS 52 HG2 LYS 52 -2.706 -3.844 5.784 385 HG3 LYS 52 HG3 LYS 52 -3.105 -5.265 4.840 386 HD2 LYS 52 HD2 LYS 52 -5.067 -4.363 6.127 387 HD3 LYS 52 HD3 LYS 52 -4.702 -6.031 6.520 388 HE2 LYS 52 HE2 LYS 52 -3.214 -4.136 8.227 389 HE3 LYS 52 HE3 LYS 52 -4.948 -3.917 8.353 390 HZ1 LYS 52 HZ1 LYS 52 -3.425 -5.966 9.486 391 HZ2 LYS 52 HZ2 LYS 52 -5.040 -5.780 9.578 392 H GLY 53 HN GLY 53 0.896 -6.590 4.739 393 HA2 GLY 53 HA1 GLY 53 2.041 -8.292 6.686 394 HA3 GLY 53 HA2 GLY 53 2.518 -8.128 5.008 395 H CYS 54 HN CYS 54 3.356 -5.490 4.773 396 HA CYS 54 HA CYS 54 5.776 -5.602 6.341 397 HB2 CYS 54 HB2 CYS 54 5.671 -5.160 3.813 398 HB3 CYS 54 HB3 CYS 54 5.093 -3.556 4.218 399 H HIS 55 HN HIS 55 3.054 -4.967 7.531 400 HA HIS 55 HA HIS 55 3.723 -2.283 8.501 401 HB2 HIS 55 HB2 HIS 55 1.079 -3.481 7.726 402 HB3 HIS 55 HB3 HIS 55 1.138 -2.250 8.971 403 HD1 HIS 55 HD1 HIS 55 -0.389 -1.176 6.810 404 HD2 HIS 55 HD2 HIS 55 3.797 -1.223 6.537 405 HE1 HIS 55 HE1 HIS 55 0.232 0.560 5.047 406 H GLU 56 HN GLU 56 1.563 -5.070 9.405 407 HA GLU 56 HA GLU 56 1.714 -4.641 12.090 408 HB2 GLU 56 HB2 GLU 56 0.915 -6.847 10.298 409 HB3 GLU 56 HB3 GLU 56 1.465 -7.414 11.863 410 HG2 GLU 56 HG2 GLU 56 -0.098 -5.682 12.931 411 HG3 GLU 56 HG3 GLU 56 -0.745 -5.378 11.331 412 HE2 GLU 56 HE2 GLU 56 -1.734 -8.737 13.245 413 H GLU 57 HN GLU 57 3.838 -6.662 9.975 414 HA GLU 57 HA GLU 57 5.308 -7.970 11.757 415 HB2 GLU 57 HB2 GLU 57 5.844 -6.763 9.093 416 HB3 GLU 57 HB3 GLU 57 7.285 -7.122 10.024 417 HG2 GLU 57 HG2 GLU 57 5.372 -9.328 10.221 418 HG3 GLU 57 HG3 GLU 57 5.698 -8.955 8.540 419 HE2 GLU 57 HE2 GLU 57 8.233 -10.564 11.046 420 H MET 58 HN MET 58 5.546 -4.467 10.977 421 HA MET 58 HA MET 58 7.653 -4.230 12.953 422 HB2 MET 58 HB2 MET 58 6.442 -2.228 10.965 423 HB3 MET 58 HB3 MET 58 7.785 -1.860 12.029 424 HG2 MET 58 HG2 MET 58 8.389 -4.324 10.630 425 HG3 MET 58 HG3 MET 58 7.865 -3.139 9.450 426 HE1 MET 58 HE1 MET 58 11.354 -2.067 8.766 427 HE2 MET 58 HE2 MET 58 10.304 -3.476 8.481 428 HE3 MET 58 HE3 MET 58 9.657 -1.830 8.281 429 H LYS 59 HN LYS 59 4.229 -3.865 12.571 430 HA LYS 59 HA LYS 59 2.650 -3.210 13.972 431 HB2 LYS 59 HB2 LYS 59 4.515 -4.125 15.666 432 HB3 LYS 59 HB3 LYS 59 4.518 -2.447 16.170 433 HG2 LYS 59 HG2 LYS 59 2.841 -3.418 17.532 434 HG3 LYS 59 HG3 LYS 59 1.922 -2.644 16.256 435 HD2 LYS 59 HD2 LYS 59 0.929 -4.668 15.941 436 HD3 LYS 59 HD3 LYS 59 2.421 -5.152 15.158 437 HE2 LYS 59 HE2 LYS 59 2.252 -5.337 18.172 438 HE3 LYS 59 HE3 LYS 59 1.427 -6.550 17.213 439 HZ1 LYS 59 HZ1 LYS 59 3.411 -7.376 16.435 440 HZ2 LYS 59 HZ2 LYS 59 4.195 -5.950 16.479 441 H LYS 60 HN LYS 60 3.289 -1.475 12.025 442 HA LYS 60 HA LYS 60 2.650 1.025 13.246 443 HB2 LYS 60 HB2 LYS 60 5.427 0.473 12.363 444 HB3 LYS 60 HB3 LYS 60 4.740 1.983 11.798 445 HG2 LYS 60 HG2 LYS 60 4.020 1.650 14.582 446 HG3 LYS 60 HG3 LYS 60 5.741 1.359 14.424 447 HD2 LYS 60 HD2 LYS 60 4.865 3.684 12.833 448 HD3 LYS 60 HD3 LYS 60 4.484 3.872 14.534 449 HE2 LYS 60 HE2 LYS 60 7.203 2.783 14.054 450 HE3 LYS 60 HE3 LYS 60 6.966 4.380 13.374 451 HZ1 LYS 60 HZ1 LYS 60 7.617 4.752 15.591 452 HZ2 LYS 60 HZ2 LYS 60 6.004 4.961 15.661 453 H GLY 61 HN GLY 61 1.280 2.105 11.904 454 HA2 GLY 61 HA1 GLY 61 0.928 2.902 9.622 455 HA3 GLY 61 HA2 GLY 61 1.290 1.282 9.061 456 HA PRO 62 HA PRO 62 -3.346 1.941 9.747 457 HB2 PRO 62 HB2 PRO 62 -4.056 1.475 7.120 458 HB3 PRO 62 HB3 PRO 62 -3.592 3.090 7.747 459 HG2 PRO 62 HG2 PRO 62 -1.920 1.148 6.312 460 HG3 PRO 62 HG3 PRO 62 -2.055 2.905 5.979 461 HD2 PRO 62 HD2 PRO 62 0.013 1.926 7.432 462 HD3 PRO 62 HD3 PRO 62 -0.797 3.438 7.945 463 H THR 63 HN THR 63 -3.394 -0.045 10.981 464 HA THR 63 HA THR 63 -3.275 -2.484 9.340 465 HB THR 63 HB THR 63 -3.004 -3.492 11.749 466 HG1 THR 63 HG1 THR 63 -2.691 -1.900 13.313 467 HG21 THR 63 HG21 THR 63 -1.070 -3.062 10.074 468 HG22 THR 63 HG22 THR 63 -0.817 -1.522 10.930 469 HG23 THR 63 HG23 THR 63 -0.624 -3.064 11.797 470 H LYS 64 HN LYS 64 -5.420 -0.275 10.801 471 HA LYS 64 HA LYS 64 -7.422 -2.360 11.228 472 HB2 LYS 64 HB2 LYS 64 -7.681 0.578 11.891 473 HB3 LYS 64 HB3 LYS 64 -8.635 -0.758 12.500 474 HG2 LYS 64 HG2 LYS 64 -7.202 -0.698 14.281 475 HG3 LYS 64 HG3 LYS 64 -6.114 -1.585 13.231 476 HD2 LYS 64 HD2 LYS 64 -4.642 0.127 13.473 477 HD3 LYS 64 HD3 LYS 64 -5.707 1.087 12.466 478 HE2 LYS 64 HE2 LYS 64 -6.856 2.012 14.387 479 HE3 LYS 64 HE3 LYS 64 -6.135 0.841 15.474 480 HZ1 LYS 64 HZ1 LYS 64 -5.066 3.324 14.649 481 HZ2 LYS 64 HZ2 LYS 64 -4.473 2.302 15.770 482 H CYS 65 HN CYS 65 -9.687 -1.838 10.403 483 HA CYS 65 HA CYS 65 -9.434 -1.250 7.617 484 HB2 CYS 65 HB2 CYS 65 -12.125 -1.594 8.795 485 HB3 CYS 65 HB3 CYS 65 -11.421 -2.292 7.350 486 H GLY 66 HN GLY 66 -9.710 0.588 10.435 487 HA2 GLY 66 HA1 GLY 66 -11.469 2.621 9.255 488 HA3 GLY 66 HA2 GLY 66 -10.932 2.525 10.920 489 H GLU 67 HN GLU 67 -8.263 1.757 8.995 490 HA GLU 67 HA GLU 67 -7.377 4.527 9.155 491 HB2 GLU 67 HB2 GLU 67 -6.230 2.253 10.245 492 HB3 GLU 67 HB3 GLU 67 -5.323 2.423 8.755 493 HG2 GLU 67 HG2 GLU 67 -5.624 4.474 10.987 494 HG3 GLU 67 HG3 GLU 67 -4.150 3.698 10.443 495 HE2 GLU 67 HE2 GLU 67 -5.007 7.095 8.902 496 H CYS 68 HN CYS 68 -7.309 1.531 7.129 497 HA CYS 68 HA CYS 68 -6.180 2.984 4.926 498 HB2 CYS 68 HB2 CYS 68 -6.784 0.147 5.551 499 HB3 CYS 68 HB3 CYS 68 -6.932 0.591 3.862 500 H HIS 69 HN HIS 69 -9.291 1.296 5.764 501 HA HIS 69 HA HIS 69 -10.545 2.544 3.473 502 HB2 HIS 69 HB2 HIS 69 -11.576 0.540 5.499 503 HB3 HIS 69 HB3 HIS 69 -12.496 1.142 4.134 504 HD1 HIS 69 HD1 HIS 69 -11.184 0.701 1.681 505 HD2 HIS 69 HD2 HIS 69 -10.210 -1.756 4.939 506 HE1 HIS 69 HE1 HIS 69 -10.094 -1.387 0.701 507 H LYS 70 HN LYS 70 -10.392 4.771 4.193 508 HA LYS 70 HA LYS 70 -12.682 5.605 5.582 509 HB2 LYS 70 HB2 LYS 70 -10.811 4.757 7.372 510 HB3 LYS 70 HB3 LYS 70 -10.354 6.441 7.211 511 HG2 LYS 70 HG2 LYS 70 -13.237 6.315 7.365 512 HG3 LYS 70 HG3 LYS 70 -12.586 5.329 8.658 513 HD2 LYS 70 HD2 LYS 70 -10.940 7.494 8.893 514 HD3 LYS 70 HD3 LYS 70 -12.350 8.287 8.219 515 HE2 LYS 70 HE2 LYS 70 -13.499 6.646 10.148 516 HE3 LYS 70 HE3 LYS 70 -11.973 7.065 10.902 517 HZ1 LYS 70 HZ1 LYS 70 -13.764 9.116 9.726 518 HZ2 LYS 70 HZ2 LYS 70 -13.842 8.684 11.294 519 H LYS 71 HN LYS 71 -12.469 6.464 3.283 520 HA LYS 71 HA LYS 71 -10.587 8.123 2.345 521 HB2 LYS 71 HB2 LYS 71 -12.106 8.614 0.763 522 HB3 LYS 71 HB3 LYS 71 -13.092 7.417 1.578 523 HG2 LYS 71 HG2 LYS 71 -14.157 9.201 2.952 524 HG3 LYS 71 HG3 LYS 71 -13.142 10.410 2.191 525 HD2 LYS 71 HD2 LYS 71 -14.290 10.311 0.157 526 HD3 LYS 71 HD3 LYS 71 -14.756 8.636 0.372 527 HE2 LYS 71 HE2 LYS 71 -16.788 9.341 1.092 528 HE3 LYS 71 HE3 LYS 71 -16.013 10.019 2.510 529 HZ1 LYS 71 HZ1 LYS 71 -15.731 12.101 1.359 530 HZ2 LYS 71 HZ2 LYS 71 -16.235 11.486 -0.062 Start of MODEL 9 1 H1 ALA 1 HN ALA 1 -1.392 13.791 -5.140 2 HA ALA 1 HA ALA 1 -0.540 14.807 -7.214 3 HB1 ALA 1 HB1 ALA 1 0.433 16.801 -6.384 4 HB2 ALA 1 HB2 ALA 1 1.395 15.926 -5.167 5 HB3 ALA 1 HB3 ALA 1 1.819 15.807 -6.892 6 H ASP 2 HN ASP 2 2.503 14.210 -5.549 7 HA ASP 2 HA ASP 2 3.103 12.030 -7.068 8 HB2 ASP 2 HB2 ASP 2 4.082 12.565 -4.225 9 HB3 ASP 2 HB3 ASP 2 4.917 11.617 -5.440 10 HD2 ASP 2 HD2 ASP 2 5.605 15.110 -4.612 11 H ASP 3 HN ASP 3 1.078 12.368 -4.213 12 HA ASP 3 HA ASP 3 1.327 9.853 -3.123 13 HB2 ASP 3 HB2 ASP 3 0.041 11.986 -2.305 14 HB3 ASP 3 HB3 ASP 3 -1.296 11.387 -3.265 15 HD2 ASP 3 HD2 ASP 3 -2.676 10.646 -1.745 16 H ILE 4 HN ILE 4 -1.096 8.529 -3.083 17 HA ILE 4 HA ILE 4 -2.139 8.305 -5.762 18 HB ILE 4 HB ILE 4 -0.491 6.132 -4.484 19 HG12 ILE 4 HG12 ILE 4 -0.329 7.751 -7.014 20 HG13 ILE 4 HG13 ILE 4 0.905 7.456 -5.805 21 HG21 ILE 4 HG21 ILE 4 -1.663 4.510 -5.454 22 HG22 ILE 4 HG22 ILE 4 -2.947 5.713 -5.728 23 HG23 ILE 4 HG23 ILE 4 -1.743 5.390 -6.999 24 HD11 ILE 4 HD11 ILE 4 0.092 5.785 -8.125 25 HD12 ILE 4 HD12 ILE 4 1.664 5.896 -7.298 26 HD13 ILE 4 HD13 ILE 4 0.371 4.878 -6.619 27 H VAL 5 HN VAL 5 -4.285 7.784 -5.696 28 HA VAL 5 HA VAL 5 -5.276 6.847 -3.091 29 HB VAL 5 HB VAL 5 -6.721 8.569 -5.110 30 HG11 VAL 5 HG11 VAL 5 -8.069 9.053 -2.918 31 HG12 VAL 5 HG12 VAL 5 -8.377 7.560 -3.836 32 HG13 VAL 5 HG13 VAL 5 -7.370 7.511 -2.369 33 HG21 VAL 5 HG21 VAL 5 -6.200 10.497 -3.837 34 HG22 VAL 5 HG22 VAL 5 -5.523 9.533 -2.503 35 HG23 VAL 5 HG23 VAL 5 -4.657 9.638 -4.055 36 H PHE 6 HN PHE 6 -6.711 5.111 -3.069 37 HA PHE 6 HA PHE 6 -7.188 3.907 -5.705 38 HB2 PHE 6 HB2 PHE 6 -6.688 2.739 -2.904 39 HB3 PHE 6 HB3 PHE 6 -7.184 1.749 -4.262 40 HD1 PHE 6 HD1 PHE 6 -5.646 1.378 -6.154 41 HD2 PHE 6 HD2 PHE 6 -4.430 3.537 -2.709 42 HE1 PHE 6 HE1 PHE 6 -3.244 1.091 -6.822 43 HE2 PHE 6 HE2 PHE 6 -2.027 3.250 -3.378 44 HZ PHE 6 HZ PHE 6 -1.463 2.030 -5.426 45 H LYS 7 HN LYS 7 -9.282 4.660 -6.107 46 HA LYS 7 HA LYS 7 -11.271 5.156 -4.369 47 HB2 LYS 7 HB2 LYS 7 -11.151 4.247 -7.199 48 HB3 LYS 7 HB3 LYS 7 -12.706 4.111 -6.404 49 HG2 LYS 7 HG2 LYS 7 -11.840 6.639 -5.592 50 HG3 LYS 7 HG3 LYS 7 -11.220 6.538 -7.228 51 HD2 LYS 7 HD2 LYS 7 -13.779 5.517 -7.550 52 HD3 LYS 7 HD3 LYS 7 -14.035 6.696 -6.279 53 HE2 LYS 7 HE2 LYS 7 -12.854 8.427 -7.705 54 HE3 LYS 7 HE3 LYS 7 -12.731 7.241 -8.989 55 HZ1 LYS 7 HZ1 LYS 7 -15.395 7.249 -8.198 56 HZ2 LYS 7 HZ2 LYS 7 -14.975 8.820 -8.291 57 H ALA 8 HN ALA 8 -12.331 4.056 -2.814 58 HA ALA 8 HA ALA 8 -12.538 1.148 -3.155 59 HB1 ALA 8 HB1 ALA 8 -11.223 0.860 -1.358 60 HB2 ALA 8 HB2 ALA 8 -11.056 2.622 -1.166 61 HB3 ALA 8 HB3 ALA 8 -12.403 1.765 -0.379 62 H LYS 9 HN LYS 9 -14.480 0.210 -2.335 63 HA LYS 9 HA LYS 9 -16.646 2.112 -2.216 64 HB2 LYS 9 HB2 LYS 9 -16.984 -0.858 -1.935 65 HB3 LYS 9 HB3 LYS 9 -18.049 0.320 -2.675 66 HG2 LYS 9 HG2 LYS 9 -15.918 0.662 -4.306 67 HG3 LYS 9 HG3 LYS 9 -15.578 -0.981 -3.800 68 HD2 LYS 9 HD2 LYS 9 -18.345 -0.998 -4.365 69 HD3 LYS 9 HD3 LYS 9 -17.661 0.011 -5.624 70 HE2 LYS 9 HE2 LYS 9 -17.037 -1.888 -6.701 71 HE3 LYS 9 HE3 LYS 9 -15.854 -2.149 -5.434 72 HZ1 LYS 9 HZ1 LYS 9 -17.077 -4.038 -5.153 73 HZ2 LYS 9 HZ2 LYS 9 -18.042 -3.096 -4.242 74 H ASN 10 HN ASN 10 -14.425 1.461 -0.019 75 HA ASN 10 HA ASN 10 -16.397 1.500 2.111 76 HB2 ASN 10 HB2 ASN 10 -14.554 -0.647 1.597 77 HB3 ASN 10 HB3 ASN 10 -13.948 0.194 3.010 78 HD21 ASN 10 HD21 ASN 10 -14.711 -2.283 3.407 79 HD22 ASN 10 HD22 ASN 10 -16.223 -2.409 4.241 80 H GLY 11 HN GLY 11 -14.447 3.371 0.510 81 HA2 GLY 11 HA1 GLY 11 -13.788 5.438 1.604 82 HA3 GLY 11 HA2 GLY 11 -13.049 4.479 2.872 83 H ASP 12 HN ASP 12 -12.090 6.470 0.600 84 HA ASP 12 HA ASP 12 -10.513 5.077 -1.150 85 HB2 ASP 12 HB2 ASP 12 -10.746 7.826 -0.134 86 HB3 ASP 12 HB3 ASP 12 -9.078 7.429 -0.496 87 HD2 ASP 12 HD2 ASP 12 -10.234 9.017 -3.237 88 H VAL 13 HN VAL 13 -8.392 4.190 -0.991 89 HA VAL 13 HA VAL 13 -7.274 4.166 1.717 90 HB VAL 13 HB VAL 13 -7.203 2.276 -0.615 91 HG11 VAL 13 HG11 VAL 13 -5.084 2.711 1.412 92 HG12 VAL 13 HG12 VAL 13 -5.590 1.022 1.171 93 HG13 VAL 13 HG13 VAL 13 -4.996 1.978 -0.207 94 HG21 VAL 13 HG21 VAL 13 -7.804 1.891 2.338 95 HG22 VAL 13 HG22 VAL 13 -9.011 2.050 1.039 96 HG23 VAL 13 HG23 VAL 13 -7.917 0.646 1.070 97 H LYS 14 HN LYS 14 -5.985 5.983 1.855 98 HA LYS 14 HA LYS 14 -4.452 6.879 -0.358 99 HB2 LYS 14 HB2 LYS 14 -5.182 7.807 2.267 100 HB3 LYS 14 HB3 LYS 14 -3.448 7.963 2.068 101 HG2 LYS 14 HG2 LYS 14 -4.052 8.971 -0.298 102 HG3 LYS 14 HG3 LYS 14 -5.655 9.183 0.379 103 HD2 LYS 14 HD2 LYS 14 -4.585 11.238 0.870 104 HD3 LYS 14 HD3 LYS 14 -4.472 10.357 2.380 105 HE2 LYS 14 HE2 LYS 14 -2.195 10.307 2.294 106 HE3 LYS 14 HE3 LYS 14 -2.194 9.732 0.638 107 HZ1 LYS 14 HZ1 LYS 14 -1.712 11.801 -0.048 108 HZ2 LYS 14 HZ2 LYS 14 -3.011 12.443 0.696 109 H PHE 15 HN PHE 15 -2.230 6.673 -0.774 110 HA PHE 15 HA PHE 15 -0.712 4.981 1.035 111 HB2 PHE 15 HB2 PHE 15 -1.871 3.534 -0.717 112 HB3 PHE 15 HB3 PHE 15 -1.147 4.513 -1.977 113 HD1 PHE 15 HD1 PHE 15 0.593 3.427 1.099 114 HD2 PHE 15 HD2 PHE 15 0.089 2.814 -3.070 115 HE1 PHE 15 HE1 PHE 15 2.598 1.918 1.079 116 HE2 PHE 15 HE2 PHE 15 2.094 1.304 -3.090 117 HZ PHE 15 HZ PHE 15 3.325 0.874 -1.015 118 HA PRO 16 HA PRO 16 1.970 8.381 -0.110 119 HB2 PRO 16 HB2 PRO 16 3.721 7.085 1.931 120 HB3 PRO 16 HB3 PRO 16 2.996 8.726 1.892 121 HG2 PRO 16 HG2 PRO 16 2.102 6.790 3.644 122 HG3 PRO 16 HG3 PRO 16 1.176 8.134 2.898 123 HD2 PRO 16 HD2 PRO 16 1.361 5.187 2.098 124 HD3 PRO 16 HD3 PRO 16 -0.087 6.233 2.203 125 H HIS 17 HN HIS 17 2.559 7.612 -2.253 126 HA HIS 17 HA HIS 17 4.178 5.302 -2.509 127 HB2 HIS 17 HB2 HIS 17 2.573 6.217 -4.222 128 HB3 HIS 17 HB3 HIS 17 3.711 7.515 -4.524 129 HD1 HIS 17 HD1 HIS 17 5.600 7.051 -6.145 130 HD2 HIS 17 HD2 HIS 17 3.636 3.559 -4.901 131 HE1 HIS 17 HE1 HIS 17 6.530 5.158 -7.580 132 H LYS 18 HN LYS 18 4.827 8.850 -2.991 133 HA LYS 18 HA LYS 18 7.569 8.552 -3.338 134 HB2 LYS 18 HB2 LYS 18 6.212 10.548 -3.943 135 HB3 LYS 18 HB3 LYS 18 6.053 10.940 -2.243 136 HG2 LYS 18 HG2 LYS 18 8.031 12.039 -2.351 137 HG3 LYS 18 HG3 LYS 18 8.832 10.506 -2.637 138 HD2 LYS 18 HD2 LYS 18 9.049 10.879 -4.904 139 HD3 LYS 18 HD3 LYS 18 7.491 11.669 -5.034 140 HE2 LYS 18 HE2 LYS 18 8.456 13.716 -3.932 141 HE3 LYS 18 HE3 LYS 18 10.018 12.925 -3.859 142 HZ1 LYS 18 HZ1 LYS 18 9.156 14.402 -5.954 143 HZ2 LYS 18 HZ2 LYS 18 10.358 13.307 -6.052 144 H ALA 19 HN ALA 19 5.542 8.882 -0.395 145 HA ALA 19 HA ALA 19 7.666 9.275 1.391 146 HB1 ALA 19 HB1 ALA 19 4.844 9.083 1.445 147 HB2 ALA 19 HB2 ALA 19 5.440 7.820 2.549 148 HB3 ALA 19 HB3 ALA 19 5.925 9.516 2.791 149 H HIS 20 HN HIS 20 5.868 6.289 0.372 150 HA HIS 20 HA HIS 20 7.437 4.576 1.932 151 HB2 HIS 20 HB2 HIS 20 5.487 4.281 -0.314 152 HB3 HIS 20 HB3 HIS 20 6.511 2.910 0.064 153 HD1 HIS 20 HD1 HIS 20 4.005 5.227 1.789 154 HD2 HIS 20 HD2 HIS 20 5.663 1.397 2.202 155 HE1 HIS 20 HE1 HIS 20 2.727 4.096 3.686 156 H GLN 21 HN GLN 21 8.189 6.425 -0.845 157 HA GLN 21 HA GLN 21 10.026 4.517 -1.922 158 HB2 GLN 21 HB2 GLN 21 9.410 7.424 -2.589 159 HB3 GLN 21 HB3 GLN 21 10.642 6.501 -3.427 160 HG2 GLN 21 HG2 GLN 21 8.049 5.074 -3.223 161 HG3 GLN 21 HG3 GLN 21 7.939 6.583 -4.107 162 HE21 GLN 21 HE21 GLN 21 7.792 5.938 -6.145 163 HE22 GLN 21 HE22 GLN 21 8.949 4.972 -7.000 164 H LYS 22 HN LYS 22 9.986 6.767 0.665 165 HA LYS 22 HA LYS 22 12.902 7.060 0.551 166 HB2 LYS 22 HB2 LYS 22 10.969 8.985 0.895 167 HB3 LYS 22 HB3 LYS 22 11.408 8.625 2.552 168 HG2 LYS 22 HG2 LYS 22 13.889 8.710 1.245 169 HG3 LYS 22 HG3 LYS 22 12.980 9.978 0.448 170 HD2 LYS 22 HD2 LYS 22 12.645 9.962 3.398 171 HD3 LYS 22 HD3 LYS 22 14.299 10.234 2.886 172 HE2 LYS 22 HE2 LYS 22 13.772 12.390 2.423 173 HE3 LYS 22 HE3 LYS 22 12.699 11.834 1.154 174 HZ1 LYS 22 HZ1 LYS 22 11.829 11.955 3.986 175 HZ2 LYS 22 HZ2 LYS 22 11.634 13.211 2.968 176 H ALA 23 HN ALA 23 10.234 5.449 2.103 177 HA ALA 23 HA ALA 23 11.771 4.896 4.500 178 HB1 ALA 23 HB1 ALA 23 9.372 5.382 4.682 179 HB2 ALA 23 HB2 ALA 23 8.998 4.039 3.575 180 HB3 ALA 23 HB3 ALA 23 9.699 3.703 5.176 181 H VAL 24 HN VAL 24 10.464 3.230 1.571 182 HA VAL 24 HA VAL 24 12.164 0.942 2.282 183 HB VAL 24 HB VAL 24 9.673 1.113 0.574 184 HG11 VAL 24 HG11 VAL 24 11.247 -1.367 1.334 185 HG12 VAL 24 HG12 VAL 24 9.831 -1.264 0.261 186 HG13 VAL 24 HG13 VAL 24 11.380 -0.542 -0.237 187 HG21 VAL 24 HG21 VAL 24 10.163 -0.171 3.283 188 HG22 VAL 24 HG22 VAL 24 9.184 1.280 2.958 189 HG23 VAL 24 HG23 VAL 24 8.665 -0.303 2.332 190 HA PRO 25 HA PRO 25 14.702 2.790 -0.926 191 HB2 PRO 25 HB2 PRO 25 16.316 0.353 -0.191 192 HB3 PRO 25 HB3 PRO 25 16.781 2.084 -0.273 193 HG2 PRO 25 HG2 PRO 25 16.400 0.938 2.233 194 HG3 PRO 25 HG3 PRO 25 16.025 2.567 1.581 195 HD2 PRO 25 HD2 PRO 25 14.186 0.129 1.925 196 HD3 PRO 25 HD3 PRO 25 13.928 1.803 2.505 197 H ASP 26 HN ASP 26 14.904 -0.855 -0.730 198 HA ASP 26 HA ASP 26 14.942 -1.128 -3.463 199 HB2 ASP 26 HB2 ASP 26 15.627 -2.891 -1.850 200 HB3 ASP 26 HB3 ASP 26 13.967 -3.071 -1.316 201 HD2 ASP 26 HD2 ASP 26 15.648 -3.185 -4.407 202 H CYS 27 HN CYS 27 13.278 -1.073 -5.002 203 HA CYS 27 HA CYS 27 10.587 -0.725 -3.978 204 HB2 CYS 27 HB2 CYS 27 11.693 -0.366 -6.772 205 HB3 CYS 27 HB3 CYS 27 10.047 -0.023 -6.277 206 H LYS 28 HN LYS 28 12.727 -3.047 -5.511 207 HA LYS 28 HA LYS 28 11.014 -4.582 -6.989 208 HB2 LYS 28 HB2 LYS 28 13.418 -5.322 -5.308 209 HB3 LYS 28 HB3 LYS 28 12.591 -6.478 -6.332 210 HG2 LYS 28 HG2 LYS 28 12.909 -4.307 -8.049 211 HG3 LYS 28 HG3 LYS 28 14.370 -4.226 -7.085 212 HD2 LYS 28 HD2 LYS 28 14.452 -6.859 -7.554 213 HD3 LYS 28 HD3 LYS 28 13.421 -6.443 -8.909 214 HE2 LYS 28 HE2 LYS 28 15.945 -4.835 -8.445 215 HE3 LYS 28 HE3 LYS 28 16.074 -6.424 -9.173 216 HZ1 LYS 28 HZ1 LYS 28 15.748 -5.026 -10.993 217 HZ2 LYS 28 HZ2 LYS 28 14.224 -5.541 -10.738 218 H LYS 29 HN LYS 29 11.052 -4.014 -3.539 219 HA LYS 29 HA LYS 29 9.788 -6.404 -2.750 220 HB2 LYS 29 HB2 LYS 29 10.061 -3.667 -1.496 221 HB3 LYS 29 HB3 LYS 29 9.184 -4.967 -0.715 222 HG2 LYS 29 HG2 LYS 29 12.059 -5.258 -1.696 223 HG3 LYS 29 HG3 LYS 29 11.653 -4.756 -0.067 224 HD2 LYS 29 HD2 LYS 29 10.144 -6.946 -0.068 225 HD3 LYS 29 HD3 LYS 29 11.177 -7.436 -1.395 226 HE2 LYS 29 HE2 LYS 29 13.180 -6.844 0.161 227 HE3 LYS 29 HE3 LYS 29 12.007 -6.779 1.461 228 HZ1 LYS 29 HZ1 LYS 29 13.002 -9.098 0.042 229 HZ2 LYS 29 HZ2 LYS 29 12.422 -8.995 1.560 230 H CYS 30 HN CYS 30 8.693 -3.450 -4.325 231 HA CYS 30 HA CYS 30 5.937 -4.372 -3.948 232 HB2 CYS 30 HB2 CYS 30 7.038 -1.581 -4.368 233 HB3 CYS 30 HB3 CYS 30 5.343 -1.970 -4.591 234 H HIS 31 HN HIS 31 8.505 -3.225 -6.182 235 HA HIS 31 HA HIS 31 6.785 -4.036 -8.412 236 HB2 HIS 31 HB2 HIS 31 9.076 -2.051 -8.360 237 HB3 HIS 31 HB3 HIS 31 8.213 -2.549 -9.802 238 HD1 HIS 31 HD1 HIS 31 5.378 -2.188 -9.418 239 HD2 HIS 31 HD2 HIS 31 8.089 0.289 -7.389 240 HE1 HIS 31 HE1 HIS 31 4.076 -0.097 -8.751 241 H GLU 32 HN GLU 32 7.703 -6.215 -7.327 242 HA GLU 32 HA GLU 32 10.336 -6.887 -7.706 243 HB2 GLU 32 HB2 GLU 32 9.459 -9.272 -7.701 244 HB3 GLU 32 HB3 GLU 32 8.932 -8.288 -6.351 245 HG2 GLU 32 HG2 GLU 32 6.820 -8.938 -6.910 246 HG3 GLU 32 HG3 GLU 32 6.942 -7.775 -8.216 247 HE2 GLU 32 HE2 GLU 32 8.930 -10.262 -9.622 248 H LYS 33 HN LYS 33 7.518 -7.068 -9.943 249 HA LYS 33 HA LYS 33 9.243 -8.148 -12.020 250 HB2 LYS 33 HB2 LYS 33 7.290 -8.702 -13.179 251 HB3 LYS 33 HB3 LYS 33 6.891 -9.008 -11.500 252 HG2 LYS 33 HG2 LYS 33 5.163 -7.551 -11.629 253 HG3 LYS 33 HG3 LYS 33 6.273 -6.250 -12.013 254 HD2 LYS 33 HD2 LYS 33 5.957 -6.462 -14.326 255 HD3 LYS 33 HD3 LYS 33 5.549 -8.164 -14.227 256 HE2 LYS 33 HE2 LYS 33 3.568 -6.694 -12.724 257 HE3 LYS 33 HE3 LYS 33 3.761 -5.900 -14.274 258 HZ1 LYS 33 HZ1 LYS 33 3.492 -8.836 -14.181 259 HZ2 LYS 33 HZ2 LYS 33 2.157 -7.907 -14.094 260 H GLY 34 HN GLY 34 9.967 -5.565 -11.042 261 HA2 GLY 34 HA1 GLY 34 10.733 -3.677 -12.046 262 HA3 GLY 34 HA2 GLY 34 9.892 -4.108 -13.522 263 HA PRO 35 HA PRO 35 7.904 -0.621 -10.751 264 HB2 PRO 35 HB2 PRO 35 8.422 1.332 -12.731 265 HB3 PRO 35 HB3 PRO 35 9.380 1.057 -11.239 266 HG2 PRO 35 HG2 PRO 35 9.785 0.009 -13.956 267 HG3 PRO 35 HG3 PRO 35 11.187 0.636 -13.029 268 HD2 PRO 35 HD2 PRO 35 10.918 -1.964 -13.067 269 HD3 PRO 35 HD3 PRO 35 10.962 -1.235 -11.433 270 H GLY 36 HN GLY 36 5.840 0.466 -11.403 271 HA2 GLY 36 HA1 GLY 36 4.400 0.893 -13.375 272 HA3 GLY 36 HA2 GLY 36 4.729 -0.760 -13.858 273 H LYS 37 HN LYS 37 2.289 -0.918 -13.777 274 HA LYS 37 HA LYS 37 1.059 -0.802 -11.202 275 HB2 LYS 37 HB2 LYS 37 -0.909 -1.036 -12.327 276 HB3 LYS 37 HB3 LYS 37 0.087 -0.439 -13.639 277 HG2 LYS 37 HG2 LYS 37 -0.398 -3.401 -13.065 278 HG3 LYS 37 HG3 LYS 37 -1.291 -2.469 -14.250 279 HD2 LYS 37 HD2 LYS 37 0.724 -2.054 -15.562 280 HD3 LYS 37 HD3 LYS 37 1.749 -2.716 -14.304 281 HE2 LYS 37 HE2 LYS 37 0.515 -4.946 -14.607 282 HE3 LYS 37 HE3 LYS 37 -0.270 -4.245 -16.008 283 HZ1 LYS 37 HZ1 LYS 37 1.603 -4.511 -17.213 284 HZ2 LYS 37 HZ2 LYS 37 2.572 -3.868 -16.074 285 H ILE 38 HN ILE 38 -0.206 -2.794 -10.378 286 HA ILE 38 HA ILE 38 1.508 -5.159 -10.701 287 HB ILE 38 HB ILE 38 0.161 -4.202 -8.172 288 HG12 ILE 38 HG12 ILE 38 3.137 -4.293 -8.594 289 HG13 ILE 38 HG13 ILE 38 2.221 -2.905 -9.149 290 HG21 ILE 38 HG21 ILE 38 1.376 -5.994 -7.073 291 HG22 ILE 38 HG22 ILE 38 0.336 -6.651 -8.359 292 HG23 ILE 38 HG23 ILE 38 2.089 -6.497 -8.624 293 HD11 ILE 38 HD11 ILE 38 2.826 -2.302 -6.945 294 HD12 ILE 38 HD12 ILE 38 1.163 -2.905 -6.748 295 HD13 ILE 38 HD13 ILE 38 2.544 -3.944 -6.318 296 H GLU 39 HN GLU 39 0.038 -5.804 -12.439 297 HA GLU 39 HA GLU 39 -2.670 -5.983 -12.158 298 HB2 GLU 39 HB2 GLU 39 -1.555 -6.314 -14.301 299 HB3 GLU 39 HB3 GLU 39 -0.728 -7.743 -13.712 300 HG2 GLU 39 HG2 GLU 39 -3.129 -8.698 -13.257 301 HG3 GLU 39 HG3 GLU 39 -3.693 -7.401 -14.293 302 HE2 GLU 39 HE2 GLU 39 -1.012 -9.684 -14.450 303 H GLY 40 HN GLY 40 -3.651 -6.842 -10.352 304 HA2 GLY 40 HA1 GLY 40 -4.376 -9.197 -9.758 305 HA3 GLY 40 HA2 GLY 40 -2.681 -9.465 -9.404 306 H PHE 41 HN PHE 41 -2.660 -6.391 -8.582 307 HA PHE 41 HA PHE 41 -2.629 -6.747 -5.882 308 HB2 PHE 41 HB2 PHE 41 -1.774 -4.767 -7.167 309 HB3 PHE 41 HB3 PHE 41 -3.409 -4.334 -7.624 310 HD1 PHE 41 HD2 PHE 41 -1.154 -4.661 -4.697 311 HD2 PHE 41 HD1 PHE 41 -4.704 -2.934 -6.253 312 HE1 PHE 41 HE2 PHE 41 -1.335 -3.201 -2.664 313 HE2 PHE 41 HE1 PHE 41 -4.885 -1.474 -4.220 314 HZ PHE 41 HZ PHE 41 -3.198 -1.625 -2.449 315 H GLY 42 HN GLY 42 -4.117 -5.506 -4.254 316 HA2 GLY 42 HA1 GLY 42 -6.538 -4.718 -4.219 317 HA3 GLY 42 HA2 GLY 42 -6.892 -6.312 -4.853 318 H LYS 43 HN LYS 43 -8.158 -5.890 -2.568 319 HA LYS 43 HA LYS 43 -7.120 -5.980 -0.148 320 HB2 LYS 43 HB2 LYS 43 -8.958 -7.856 0.265 321 HB3 LYS 43 HB3 LYS 43 -9.381 -6.191 -0.078 322 HG2 LYS 43 HG2 LYS 43 -10.280 -6.709 -2.118 323 HG3 LYS 43 HG3 LYS 43 -8.955 -7.776 -2.537 324 HD2 LYS 43 HD2 LYS 43 -10.886 -9.189 -2.380 325 HD3 LYS 43 HD3 LYS 43 -9.963 -9.499 -0.924 326 HE2 LYS 43 HE2 LYS 43 -11.647 -8.747 0.411 327 HE3 LYS 43 HE3 LYS 43 -11.797 -7.258 -0.500 328 HZ1 LYS 43 HZ1 LYS 43 -13.536 -9.423 -0.566 329 HZ2 LYS 43 HZ2 LYS 43 -13.618 -8.086 -1.493 330 H GLU 44 HN GLU 44 -6.936 -8.647 -2.540 331 HA GLU 44 HA GLU 44 -6.160 -10.720 -1.122 332 HB2 GLU 44 HB2 GLU 44 -5.960 -9.974 -3.781 333 HB3 GLU 44 HB3 GLU 44 -4.275 -10.196 -3.355 334 HG2 GLU 44 HG2 GLU 44 -6.043 -12.337 -2.308 335 HG3 GLU 44 HG3 GLU 44 -6.042 -12.231 -4.058 336 HE2 GLU 44 HE2 GLU 44 -4.668 -14.190 -2.211 337 H MET 45 HN MET 45 -3.548 -8.602 -2.501 338 HA MET 45 HA MET 45 -1.793 -9.472 -0.443 339 HB2 MET 45 HB2 MET 45 -1.534 -8.506 -3.051 340 HB3 MET 45 HB3 MET 45 -1.035 -7.111 -2.115 341 HG2 MET 45 HG2 MET 45 0.512 -8.739 -0.803 342 HG3 MET 45 HG3 MET 45 0.174 -9.909 -2.064 343 HE1 MET 45 HE1 MET 45 1.500 -8.974 -5.096 344 HE2 MET 45 HE2 MET 45 -0.128 -9.050 -4.383 345 HE3 MET 45 HE3 MET 45 0.500 -7.505 -5.003 346 H ALA 46 HN ALA 46 -3.511 -6.419 -1.321 347 HA ALA 46 HA ALA 46 -2.385 -4.653 0.387 348 HB1 ALA 46 HB1 ALA 46 -4.040 -3.796 -1.008 349 HB2 ALA 46 HB2 ALA 46 -5.189 -5.100 -0.621 350 HB3 ALA 46 HB3 ALA 46 -4.880 -3.806 0.562 351 H HIS 47 HN HIS 47 -4.280 -7.521 1.171 352 HA HIS 47 HA HIS 47 -4.469 -6.623 3.941 353 HB2 HIS 47 HB2 HIS 47 -5.811 -8.919 2.488 354 HB3 HIS 47 HB3 HIS 47 -5.999 -8.578 4.197 355 HD1 HIS 47 HD1 HIS 47 -8.390 -8.519 2.146 356 HD2 HIS 47 HD2 HIS 47 -6.250 -5.161 3.467 357 HE1 HIS 47 HE1 HIS 47 -9.931 -6.512 1.814 358 H GLY 48 HN GLY 48 -3.585 -9.578 2.010 359 HA2 GLY 48 HA1 GLY 48 -2.324 -10.947 4.087 360 HA3 GLY 48 HA2 GLY 48 -2.044 -11.172 2.371 361 H LYS 49 HN LYS 49 0.213 -11.381 2.401 362 HA LYS 49 HA LYS 49 1.790 -9.461 3.840 363 HB2 LYS 49 HB2 LYS 49 2.134 -12.092 2.925 364 HB3 LYS 49 HB3 LYS 49 3.248 -11.139 1.967 365 HG2 LYS 49 HG2 LYS 49 3.819 -10.005 4.320 366 HG3 LYS 49 HG3 LYS 49 3.149 -11.489 4.968 367 HD2 LYS 49 HD2 LYS 49 4.745 -12.683 3.233 368 HD3 LYS 49 HD3 LYS 49 5.578 -11.142 3.183 369 HE2 LYS 49 HE2 LYS 49 6.726 -11.878 5.010 370 HE3 LYS 49 HE3 LYS 49 5.270 -11.528 5.920 371 HZ1 LYS 49 HZ1 LYS 49 5.410 -14.124 4.568 372 HZ2 LYS 49 HZ2 LYS 49 6.314 -13.934 5.909 373 H GLY 50 HN GLY 50 0.264 -7.884 2.336 374 HA2 GLY 50 HA1 GLY 50 1.863 -7.257 -0.070 375 HA3 GLY 50 HA2 GLY 50 0.166 -6.882 0.152 376 H CYS 51 HN CYS 51 -0.260 -5.553 2.350 377 HA CYS 51 HA CYS 51 1.807 -3.476 2.434 378 HB2 CYS 51 HB2 CYS 51 -1.171 -3.062 2.756 379 HB3 CYS 51 HB3 CYS 51 0.069 -1.824 2.781 380 H LYS 52 HN LYS 52 -0.955 -5.081 4.167 381 HA LYS 52 HA LYS 52 -0.279 -4.071 6.694 382 HB2 LYS 52 HB2 LYS 52 -1.757 -6.656 6.200 383 HB3 LYS 52 HB3 LYS 52 -1.945 -5.525 7.525 384 HG2 LYS 52 HG2 LYS 52 -2.394 -3.974 5.197 385 HG3 LYS 52 HG3 LYS 52 -3.199 -5.497 4.873 386 HD2 LYS 52 HD2 LYS 52 -3.617 -3.734 7.333 387 HD3 LYS 52 HD3 LYS 52 -4.741 -3.929 6.004 388 HE2 LYS 52 HE2 LYS 52 -5.497 -5.964 6.764 389 HE3 LYS 52 HE3 LYS 52 -3.896 -6.499 7.235 390 HZ1 LYS 52 HZ1 LYS 52 -5.034 -4.351 8.844 391 HZ2 LYS 52 HZ2 LYS 52 -5.746 -5.806 9.010 392 H GLY 53 HN GLY 53 0.998 -6.685 4.708 393 HA2 GLY 53 HA1 GLY 53 2.139 -8.263 6.745 394 HA3 GLY 53 HA2 GLY 53 2.620 -8.202 5.061 395 H CYS 54 HN CYS 54 3.336 -5.423 4.846 396 HA CYS 54 HA CYS 54 5.845 -5.551 6.280 397 HB2 CYS 54 HB2 CYS 54 5.514 -5.015 3.741 398 HB3 CYS 54 HB3 CYS 54 5.116 -3.401 4.298 399 H HIS 55 HN HIS 55 3.074 -4.920 7.492 400 HA HIS 55 HA HIS 55 3.795 -2.283 8.549 401 HB2 HIS 55 HB2 HIS 55 1.120 -3.449 7.812 402 HB3 HIS 55 HB3 HIS 55 1.231 -2.213 9.050 403 HD1 HIS 55 HD1 HIS 55 -0.333 -1.127 6.921 404 HD2 HIS 55 HD2 HIS 55 3.844 -1.238 6.547 405 HE1 HIS 55 HE1 HIS 55 0.271 0.592 5.134 406 H GLU 56 HN GLU 56 1.621 -5.073 9.410 407 HA GLU 56 HA GLU 56 1.782 -4.729 12.095 408 HB2 GLU 56 HB2 GLU 56 1.022 -6.896 10.246 409 HB3 GLU 56 HB3 GLU 56 1.601 -7.506 11.783 410 HG2 GLU 56 HG2 GLU 56 0.013 -5.826 12.918 411 HG3 GLU 56 HG3 GLU 56 -0.671 -5.521 11.334 412 HE2 GLU 56 HE2 GLU 56 -1.357 -7.628 10.229 413 H GLU 57 HN GLU 57 3.956 -6.645 9.934 414 HA GLU 57 HA GLU 57 5.450 -7.966 11.684 415 HB2 GLU 57 HB2 GLU 57 5.949 -6.696 9.050 416 HB3 GLU 57 HB3 GLU 57 7.406 -7.005 9.972 417 HG2 GLU 57 HG2 GLU 57 5.676 -9.316 10.205 418 HG3 GLU 57 HG3 GLU 57 5.800 -8.890 8.510 419 HE2 GLU 57 HE2 GLU 57 7.450 -10.158 7.713 420 H MET 58 HN MET 58 5.666 -4.444 10.955 421 HA MET 58 HA MET 58 7.726 -4.218 12.981 422 HB2 MET 58 HB2 MET 58 6.550 -2.230 10.960 423 HB3 MET 58 HB3 MET 58 7.824 -1.816 12.090 424 HG2 MET 58 HG2 MET 58 8.621 -4.247 10.767 425 HG3 MET 58 HG3 MET 58 8.056 -3.146 9.527 426 HE1 MET 58 HE1 MET 58 10.918 -1.362 8.702 427 HE2 MET 58 HE2 MET 58 11.271 -3.097 8.882 428 HE3 MET 58 HE3 MET 58 9.661 -2.568 8.338 429 H LYS 59 HN LYS 59 4.311 -3.900 12.553 430 HA LYS 59 HA LYS 59 2.699 -3.261 13.922 431 HB2 LYS 59 HB2 LYS 59 4.555 -4.171 15.642 432 HB3 LYS 59 HB3 LYS 59 4.501 -2.502 16.171 433 HG2 LYS 59 HG2 LYS 59 2.818 -3.544 17.475 434 HG3 LYS 59 HG3 LYS 59 1.911 -2.765 16.193 435 HD2 LYS 59 HD2 LYS 59 1.064 -4.762 15.542 436 HD3 LYS 59 HD3 LYS 59 2.679 -5.370 15.236 437 HE2 LYS 59 HE2 LYS 59 2.756 -6.543 17.211 438 HE3 LYS 59 HE3 LYS 59 1.987 -5.260 18.122 439 HZ1 LYS 59 HZ1 LYS 59 0.776 -7.559 16.940 440 HZ2 LYS 59 HZ2 LYS 59 0.153 -6.540 18.047 441 H LYS 60 HN LYS 60 3.473 -1.492 12.000 442 HA LYS 60 HA LYS 60 2.791 0.997 13.266 443 HB2 LYS 60 HB2 LYS 60 5.520 0.505 12.109 444 HB3 LYS 60 HB3 LYS 60 4.786 2.088 11.943 445 HG2 LYS 60 HG2 LYS 60 4.340 2.005 14.487 446 HG3 LYS 60 HG3 LYS 60 5.375 0.591 14.533 447 HD2 LYS 60 HD2 LYS 60 7.258 1.859 14.415 448 HD3 LYS 60 HD3 LYS 60 6.667 2.724 13.010 449 HE2 LYS 60 HE2 LYS 60 5.544 3.380 15.751 450 HE3 LYS 60 HE3 LYS 60 7.100 4.031 15.276 451 HZ1 LYS 60 HZ1 LYS 60 5.821 5.631 14.330 452 HZ2 LYS 60 HZ2 LYS 60 5.603 4.578 13.106 453 H GLY 61 HN GLY 61 1.433 2.136 11.951 454 HA2 GLY 61 HA1 GLY 61 1.019 2.945 9.696 455 HA3 GLY 61 HA2 GLY 61 1.370 1.334 9.103 456 HA PRO 62 HA PRO 62 -3.253 1.980 9.866 457 HB2 PRO 62 HB2 PRO 62 -4.012 1.515 7.260 458 HB3 PRO 62 HB3 PRO 62 -3.509 3.129 7.861 459 HG2 PRO 62 HG2 PRO 62 -1.868 1.161 6.430 460 HG3 PRO 62 HG3 PRO 62 -1.998 2.911 6.060 461 HD2 PRO 62 HD2 PRO 62 0.079 1.975 7.511 462 HD3 PRO 62 HD3 PRO 62 -0.743 3.479 8.026 463 H THR 63 HN THR 63 -3.445 0.023 11.075 464 HA THR 63 HA THR 63 -3.255 -2.436 9.466 465 HB THR 63 HB THR 63 -3.087 -3.384 11.942 466 HG1 THR 63 HG1 THR 63 -2.048 -0.672 12.205 467 HG21 THR 63 HG21 THR 63 -1.076 -3.530 10.626 468 HG22 THR 63 HG22 THR 63 -0.931 -1.760 10.518 469 HG23 THR 63 HG23 THR 63 -0.607 -2.587 12.061 470 H LYS 64 HN LYS 64 -5.412 -0.224 10.962 471 HA LYS 64 HA LYS 64 -7.430 -2.298 11.327 472 HB2 LYS 64 HB2 LYS 64 -7.662 0.647 11.981 473 HB3 LYS 64 HB3 LYS 64 -8.672 -0.666 12.551 474 HG2 LYS 64 HG2 LYS 64 -7.288 -0.563 14.386 475 HG3 LYS 64 HG3 LYS 64 -6.268 -1.600 13.410 476 HD2 LYS 64 HD2 LYS 64 -4.641 -0.025 13.412 477 HD3 LYS 64 HD3 LYS 64 -5.715 1.102 12.608 478 HE2 LYS 64 HE2 LYS 64 -6.677 1.749 14.844 479 HE3 LYS 64 HE3 LYS 64 -5.555 0.655 15.628 480 HZ1 LYS 64 HZ1 LYS 64 -3.796 2.047 15.195 481 HZ2 LYS 64 HZ2 LYS 64 -4.403 2.626 13.799 482 H CYS 65 HN CYS 65 -9.686 -1.758 10.471 483 HA CYS 65 HA CYS 65 -9.386 -1.189 7.684 484 HB2 CYS 65 HB2 CYS 65 -12.097 -1.519 8.816 485 HB3 CYS 65 HB3 CYS 65 -11.368 -2.231 7.390 486 H GLY 66 HN GLY 66 -9.750 0.644 10.513 487 HA2 GLY 66 HA1 GLY 66 -11.497 2.668 9.324 488 HA3 GLY 66 HA2 GLY 66 -10.914 2.601 10.975 489 H GLU 67 HN GLU 67 -8.251 1.813 9.106 490 HA GLU 67 HA GLU 67 -7.381 4.585 9.186 491 HB2 GLU 67 HB2 GLU 67 -6.199 2.288 10.200 492 HB3 GLU 67 HB3 GLU 67 -5.342 2.491 8.685 493 HG2 GLU 67 HG2 GLU 67 -5.624 4.567 10.906 494 HG3 GLU 67 HG3 GLU 67 -4.160 3.716 10.453 495 HE2 GLU 67 HE2 GLU 67 -5.206 6.579 10.267 496 H CYS 68 HN CYS 68 -7.386 1.608 7.129 497 HA CYS 68 HA CYS 68 -6.368 3.109 4.897 498 HB2 CYS 68 HB2 CYS 68 -6.951 0.230 5.459 499 HB3 CYS 68 HB3 CYS 68 -6.981 0.752 3.786 500 H HIS 69 HN HIS 69 -9.375 1.273 5.812 501 HA HIS 69 HA HIS 69 -10.762 2.528 3.601 502 HB2 HIS 69 HB2 HIS 69 -11.668 0.438 5.601 503 HB3 HIS 69 HB3 HIS 69 -12.610 1.011 4.239 504 HD1 HIS 69 HD1 HIS 69 -11.166 0.709 1.798 505 HD2 HIS 69 HD2 HIS 69 -10.304 -1.844 5.013 506 HE1 HIS 69 HE1 HIS 69 -10.009 -1.334 0.798 507 H LYS 70 HN LYS 70 -10.581 4.735 4.476 508 HA LYS 70 HA LYS 70 -12.898 5.463 5.876 509 HB2 LYS 70 HB2 LYS 70 -11.399 4.473 7.733 510 HB3 LYS 70 HB3 LYS 70 -10.416 5.910 7.535 511 HG2 LYS 70 HG2 LYS 70 -11.872 7.082 8.814 512 HG3 LYS 70 HG3 LYS 70 -13.136 6.802 7.632 513 HD2 LYS 70 HD2 LYS 70 -13.952 4.879 8.755 514 HD3 LYS 70 HD3 LYS 70 -12.444 4.611 9.607 515 HE2 LYS 70 HE2 LYS 70 -13.253 5.773 11.378 516 HE3 LYS 70 HE3 LYS 70 -13.332 7.215 10.385 517 HZ1 LYS 70 HZ1 LYS 70 -15.547 6.190 9.565 518 HZ2 LYS 70 HZ2 LYS 70 -15.479 5.259 10.899 519 H LYS 71 HN LYS 71 -13.055 6.764 3.985 520 HA LYS 71 HA LYS 71 -10.936 8.581 3.363 521 HB2 LYS 71 HB2 LYS 71 -11.951 8.241 1.400 522 HB3 LYS 71 HB3 LYS 71 -13.417 7.646 2.153 523 HG2 LYS 71 HG2 LYS 71 -14.310 9.858 2.437 524 HG3 LYS 71 HG3 LYS 71 -12.753 10.614 2.160 525 HD2 LYS 71 HD2 LYS 71 -13.274 9.049 -0.167 526 HD3 LYS 71 HD3 LYS 71 -14.788 9.844 0.217 527 HE2 LYS 71 HE2 LYS 71 -13.088 11.950 0.574 528 HE3 LYS 71 HE3 LYS 71 -12.166 11.045 -0.609 529 HZ1 LYS 71 HZ1 LYS 71 -13.958 11.164 -2.143 530 HZ2 LYS 71 HZ2 LYS 71 -15.036 11.650 -1.024 Start of MODEL 10 1 H1 ALA 1 HN ALA 1 0.807 15.024 -8.133 2 HA ALA 1 HA ALA 1 0.144 14.964 -5.300 3 HB1 ALA 1 HB1 ALA 1 -2.062 14.845 -5.800 4 HB2 ALA 1 HB2 ALA 1 -1.747 14.537 -7.524 5 HB3 ALA 1 HB3 ALA 1 -1.697 13.194 -6.357 6 H ASP 2 HN ASP 2 2.513 14.207 -5.673 7 HA ASP 2 HA ASP 2 3.205 12.011 -7.038 8 HB2 ASP 2 HB2 ASP 2 4.089 12.545 -4.168 9 HB3 ASP 2 HB3 ASP 2 5.007 11.710 -5.405 10 HD2 ASP 2 HD2 ASP 2 5.675 14.059 -7.362 11 H ASP 3 HN ASP 3 1.096 12.288 -4.234 12 HA ASP 3 HA ASP 3 1.416 9.752 -3.172 13 HB2 ASP 3 HB2 ASP 3 0.122 11.859 -2.291 14 HB3 ASP 3 HB3 ASP 3 -1.225 11.259 -3.238 15 HD2 ASP 3 HD2 ASP 3 -2.578 10.041 -1.946 16 H ILE 4 HN ILE 4 -0.987 8.400 -3.128 17 HA ILE 4 HA ILE 4 -2.042 8.221 -5.813 18 HB ILE 4 HB ILE 4 -0.407 6.040 -4.538 19 HG12 ILE 4 HG12 ILE 4 -0.283 7.591 -7.121 20 HG13 ILE 4 HG13 ILE 4 0.950 7.406 -5.890 21 HG21 ILE 4 HG21 ILE 4 -1.668 4.439 -5.411 22 HG22 ILE 4 HG22 ILE 4 -2.878 5.669 -5.847 23 HG23 ILE 4 HG23 ILE 4 -1.614 5.212 -7.014 24 HD11 ILE 4 HD11 ILE 4 1.784 5.790 -7.273 25 HD12 ILE 4 HD12 ILE 4 0.499 4.769 -6.584 26 HD13 ILE 4 HD13 ILE 4 0.238 5.603 -8.135 27 H VAL 5 HN VAL 5 -4.186 7.646 -5.787 28 HA VAL 5 HA VAL 5 -5.208 6.761 -3.177 29 HB VAL 5 HB VAL 5 -6.675 8.407 -5.238 30 HG11 VAL 5 HG11 VAL 5 -7.726 6.958 -3.226 31 HG12 VAL 5 HG12 VAL 5 -7.363 8.460 -2.343 32 HG13 VAL 5 HG13 VAL 5 -8.417 8.503 -3.777 33 HG21 VAL 5 HG21 VAL 5 -6.226 10.168 -3.230 34 HG22 VAL 5 HG22 VAL 5 -4.714 9.231 -3.168 35 HG23 VAL 5 HG23 VAL 5 -5.200 10.036 -4.679 36 H PHE 6 HN PHE 6 -6.613 5.006 -3.140 37 HA PHE 6 HA PHE 6 -7.074 3.766 -5.763 38 HB2 PHE 6 HB2 PHE 6 -6.538 2.640 -2.951 39 HB3 PHE 6 HB3 PHE 6 -7.044 1.624 -4.286 40 HD1 PHE 6 HD2 PHE 6 -5.532 1.272 -6.216 41 HD2 PHE 6 HD1 PHE 6 -4.281 3.421 -2.777 42 HE1 PHE 6 HE2 PHE 6 -3.137 0.993 -6.912 43 HE2 PHE 6 HE1 PHE 6 -1.886 3.142 -3.474 44 HZ PHE 6 HZ PHE 6 -1.342 1.931 -5.533 45 H LYS 7 HN LYS 7 -9.184 4.384 -6.207 46 HA LYS 7 HA LYS 7 -11.182 4.919 -4.477 47 HB2 LYS 7 HB2 LYS 7 -11.033 3.932 -7.276 48 HB3 LYS 7 HB3 LYS 7 -12.585 3.756 -6.481 49 HG2 LYS 7 HG2 LYS 7 -11.354 6.391 -5.962 50 HG3 LYS 7 HG3 LYS 7 -11.597 6.096 -7.672 51 HD2 LYS 7 HD2 LYS 7 -13.991 5.181 -6.563 52 HD3 LYS 7 HD3 LYS 7 -13.601 6.547 -5.537 53 HE2 LYS 7 HE2 LYS 7 -13.824 8.094 -7.258 54 HE3 LYS 7 HE3 LYS 7 -13.260 6.979 -8.486 55 HZ1 LYS 7 HZ1 LYS 7 -15.599 7.289 -8.796 56 HZ2 LYS 7 HZ2 LYS 7 -15.436 5.784 -8.196 57 H ALA 8 HN ALA 8 -12.503 3.841 -3.073 58 HA ALA 8 HA ALA 8 -12.580 0.930 -3.264 59 HB1 ALA 8 HB1 ALA 8 -11.578 0.548 -1.260 60 HB2 ALA 8 HB2 ALA 8 -10.835 2.142 -1.531 61 HB3 ALA 8 HB3 ALA 8 -12.290 1.999 -0.515 62 H LYS 9 HN LYS 9 -14.491 0.008 -2.301 63 HA LYS 9 HA LYS 9 -16.663 1.913 -2.239 64 HB2 LYS 9 HB2 LYS 9 -16.899 -1.072 -1.874 65 HB3 LYS 9 HB3 LYS 9 -18.088 0.056 -2.493 66 HG2 LYS 9 HG2 LYS 9 -16.242 0.527 -4.359 67 HG3 LYS 9 HG3 LYS 9 -15.620 -1.035 -3.863 68 HD2 LYS 9 HD2 LYS 9 -17.619 -2.176 -4.494 69 HD3 LYS 9 HD3 LYS 9 -18.570 -0.705 -4.499 70 HE2 LYS 9 HE2 LYS 9 -16.448 -0.283 -6.373 71 HE3 LYS 9 HE3 LYS 9 -17.054 -1.900 -6.677 72 HZ1 LYS 9 HZ1 LYS 9 -19.308 -0.957 -6.821 73 HZ2 LYS 9 HZ2 LYS 9 -18.740 0.544 -6.548 74 H ASN 10 HN ASN 10 -14.406 1.425 -0.066 75 HA ASN 10 HA ASN 10 -16.332 1.518 2.102 76 HB2 ASN 10 HB2 ASN 10 -14.665 -0.695 1.673 77 HB3 ASN 10 HB3 ASN 10 -13.742 0.249 2.825 78 HD21 ASN 10 HD21 ASN 10 -14.206 -1.727 4.099 79 HD22 ASN 10 HD22 ASN 10 -15.639 -1.773 5.071 80 H GLY 11 HN GLY 11 -14.483 3.367 0.386 81 HA2 GLY 11 HA1 GLY 11 -13.808 5.481 1.316 82 HA3 GLY 11 HA2 GLY 11 -13.087 4.628 2.666 83 H ASP 12 HN ASP 12 -12.140 6.424 0.199 84 HA ASP 12 HA ASP 12 -10.518 4.939 -1.398 85 HB2 ASP 12 HB2 ASP 12 -10.800 7.736 -0.598 86 HB3 ASP 12 HB3 ASP 12 -9.104 7.347 -0.809 87 HD2 ASP 12 HD2 ASP 12 -11.100 8.245 -3.946 88 H VAL 13 HN VAL 13 -8.397 4.065 -1.160 89 HA VAL 13 HA VAL 13 -7.325 4.182 1.563 90 HB VAL 13 HB VAL 13 -7.237 2.181 -0.668 91 HG11 VAL 13 HG11 VAL 13 -5.239 2.449 1.593 92 HG12 VAL 13 HG12 VAL 13 -5.537 0.915 0.741 93 HG13 VAL 13 HG13 VAL 13 -4.922 2.325 -0.154 94 HG21 VAL 13 HG21 VAL 13 -7.943 0.636 1.075 95 HG22 VAL 13 HG22 VAL 13 -7.760 1.903 2.311 96 HG23 VAL 13 HG23 VAL 13 -9.013 2.058 1.057 97 H LYS 14 HN LYS 14 -6.044 6.008 1.641 98 HA LYS 14 HA LYS 14 -4.471 6.801 -0.586 99 HB2 LYS 14 HB2 LYS 14 -5.363 7.932 1.841 100 HB3 LYS 14 HB3 LYS 14 -3.614 7.939 1.932 101 HG2 LYS 14 HG2 LYS 14 -4.061 8.745 -0.698 102 HG3 LYS 14 HG3 LYS 14 -5.414 9.475 0.144 103 HD2 LYS 14 HD2 LYS 14 -2.947 9.809 1.687 104 HD3 LYS 14 HD3 LYS 14 -2.738 10.422 0.059 105 HE2 LYS 14 HE2 LYS 14 -4.765 11.833 0.294 106 HE3 LYS 14 HE3 LYS 14 -5.072 11.169 1.886 107 HZ1 LYS 14 HZ1 LYS 14 -2.663 12.740 1.136 108 HZ2 LYS 14 HZ2 LYS 14 -3.898 13.284 2.047 109 H PHE 15 HN PHE 15 -2.214 6.639 -0.900 110 HA PHE 15 HA PHE 15 -0.742 5.032 1.014 111 HB2 PHE 15 HB2 PHE 15 -1.804 3.461 -0.659 112 HB3 PHE 15 HB3 PHE 15 -1.147 4.415 -1.974 113 HD1 PHE 15 HD1 PHE 15 0.552 3.341 1.156 114 HD2 PHE 15 HD2 PHE 15 0.288 2.933 -3.060 115 HE1 PHE 15 HE1 PHE 15 2.625 1.925 1.163 116 HE2 PHE 15 HE2 PHE 15 2.360 1.517 -3.053 117 HZ PHE 15 HZ PHE 15 3.504 1.030 -0.942 118 HA PRO 16 HA PRO 16 1.956 8.397 -0.174 119 HB2 PRO 16 HB2 PRO 16 3.698 7.100 1.881 120 HB3 PRO 16 HB3 PRO 16 3.006 8.753 1.816 121 HG2 PRO 16 HG2 PRO 16 2.094 6.870 3.581 122 HG3 PRO 16 HG3 PRO 16 1.157 8.206 2.837 123 HD2 PRO 16 HD2 PRO 16 1.307 5.249 2.091 124 HD3 PRO 16 HD3 PRO 16 -0.123 6.324 2.153 125 H HIS 17 HN HIS 17 2.592 7.669 -2.301 126 HA HIS 17 HA HIS 17 4.173 5.330 -2.562 127 HB2 HIS 17 HB2 HIS 17 2.588 6.323 -4.276 128 HB3 HIS 17 HB3 HIS 17 3.797 7.555 -4.579 129 HD1 HIS 17 HD1 HIS 17 5.573 7.001 -6.273 130 HD2 HIS 17 HD2 HIS 17 3.602 3.585 -4.844 131 HE1 HIS 17 HE1 HIS 17 6.432 5.045 -7.667 132 H LYS 18 HN LYS 18 4.877 8.871 -3.022 133 HA LYS 18 HA LYS 18 7.616 8.538 -3.340 134 HB2 LYS 18 HB2 LYS 18 6.278 10.556 -3.936 135 HB3 LYS 18 HB3 LYS 18 6.137 10.942 -2.233 136 HG2 LYS 18 HG2 LYS 18 8.251 11.788 -2.144 137 HG3 LYS 18 HG3 LYS 18 8.929 10.395 -2.963 138 HD2 LYS 18 HD2 LYS 18 8.213 11.319 -5.164 139 HD3 LYS 18 HD3 LYS 18 7.482 12.695 -4.362 140 HE2 LYS 18 HE2 LYS 18 10.100 12.651 -3.329 141 HE3 LYS 18 HE3 LYS 18 10.317 12.200 -5.008 142 HZ1 LYS 18 HZ1 LYS 18 10.125 14.392 -5.427 143 HZ2 LYS 18 HZ2 LYS 18 8.533 14.280 -5.101 144 H ALA 19 HN ALA 19 5.575 8.929 -0.408 145 HA ALA 19 HA ALA 19 7.682 9.264 1.397 146 HB1 ALA 19 HB1 ALA 19 5.417 7.823 2.512 147 HB2 ALA 19 HB2 ALA 19 5.936 9.502 2.794 148 HB3 ALA 19 HB3 ALA 19 4.862 9.120 1.426 149 H HIS 20 HN HIS 20 5.859 6.302 0.352 150 HA HIS 20 HA HIS 20 7.397 4.565 1.916 151 HB2 HIS 20 HB2 HIS 20 5.469 4.296 -0.355 152 HB3 HIS 20 HB3 HIS 20 6.468 2.913 0.044 153 HD1 HIS 20 HD1 HIS 20 3.910 5.238 1.661 154 HD2 HIS 20 HD2 HIS 20 5.628 1.454 2.237 155 HE1 HIS 20 HE1 HIS 20 2.604 4.141 3.559 156 H GLN 21 HN GLN 21 8.196 6.421 -0.841 157 HA GLN 21 HA GLN 21 10.036 4.492 -1.891 158 HB2 GLN 21 HB2 GLN 21 9.439 7.392 -2.613 159 HB3 GLN 21 HB3 GLN 21 10.646 6.429 -3.441 160 HG2 GLN 21 HG2 GLN 21 8.038 5.045 -3.189 161 HG3 GLN 21 HG3 GLN 21 7.931 6.545 -4.090 162 HE21 GLN 21 HE21 GLN 21 7.710 5.818 -6.104 163 HE22 GLN 21 HE22 GLN 21 8.858 4.850 -6.967 164 H LYS 22 HN LYS 22 9.970 6.696 0.703 165 HA LYS 22 HA LYS 22 12.882 7.039 0.589 166 HB2 LYS 22 HB2 LYS 22 10.906 8.943 0.934 167 HB3 LYS 22 HB3 LYS 22 11.408 8.616 2.580 168 HG2 LYS 22 HG2 LYS 22 13.844 8.721 1.202 169 HG3 LYS 22 HG3 LYS 22 12.890 9.949 0.394 170 HD2 LYS 22 HD2 LYS 22 13.629 11.274 2.122 171 HD3 LYS 22 HD3 LYS 22 12.269 10.568 2.971 172 HE2 LYS 22 HE2 LYS 22 13.670 9.606 4.472 173 HE3 LYS 22 HE3 LYS 22 14.473 8.723 3.190 174 HZ1 LYS 22 HZ1 LYS 22 16.186 10.036 3.967 175 HZ2 LYS 22 HZ2 LYS 22 15.627 11.044 2.816 176 H ALA 23 HN ALA 23 10.214 5.426 2.137 177 HA ALA 23 HA ALA 23 11.721 4.913 4.557 178 HB1 ALA 23 HB1 ALA 23 9.689 4.471 5.442 179 HB2 ALA 23 HB2 ALA 23 9.026 5.152 3.937 180 HB3 ALA 23 HB3 ALA 23 9.244 3.393 4.098 181 H VAL 24 HN VAL 24 10.394 3.120 1.699 182 HA VAL 24 HA VAL 24 12.246 0.947 2.393 183 HB VAL 24 HB VAL 24 9.675 0.880 0.800 184 HG11 VAL 24 HG11 VAL 24 11.688 -0.789 0.357 185 HG12 VAL 24 HG12 VAL 24 11.051 -1.578 1.820 186 HG13 VAL 24 HG13 VAL 24 10.002 -1.359 0.398 187 HG21 VAL 24 HG21 VAL 24 8.576 0.007 2.649 188 HG22 VAL 24 HG22 VAL 24 10.087 -0.487 3.449 189 HG23 VAL 24 HG23 VAL 24 9.632 1.233 3.391 190 HA PRO 25 HA PRO 25 14.457 2.821 -1.043 191 HB2 PRO 25 HB2 PRO 25 16.253 0.510 -0.317 192 HB3 PRO 25 HB3 PRO 25 16.615 2.256 -0.514 193 HG2 PRO 25 HG2 PRO 25 16.470 1.219 2.042 194 HG3 PRO 25 HG3 PRO 25 15.957 2.812 1.395 195 HD2 PRO 25 HD2 PRO 25 14.293 0.299 1.969 196 HD3 PRO 25 HD3 PRO 25 13.966 1.989 2.459 197 H ASP 26 HN ASP 26 14.875 -0.797 -0.715 198 HA ASP 26 HA ASP 26 14.830 -1.240 -3.397 199 HB2 ASP 26 HB2 ASP 26 15.504 -2.914 -1.693 200 HB3 ASP 26 HB3 ASP 26 13.849 -3.039 -1.131 201 HD2 ASP 26 HD2 ASP 26 15.807 -5.000 -3.192 202 H CYS 27 HN CYS 27 13.165 -1.107 -4.916 203 HA CYS 27 HA CYS 27 10.477 -0.756 -3.904 204 HB2 CYS 27 HB2 CYS 27 11.577 -0.473 -6.708 205 HB3 CYS 27 HB3 CYS 27 9.937 -0.103 -6.215 206 H LYS 28 HN LYS 28 12.604 -3.129 -5.370 207 HA LYS 28 HA LYS 28 10.882 -4.690 -6.814 208 HB2 LYS 28 HB2 LYS 28 13.255 -5.449 -5.092 209 HB3 LYS 28 HB3 LYS 28 12.446 -6.569 -6.169 210 HG2 LYS 28 HG2 LYS 28 12.829 -4.406 -7.851 211 HG3 LYS 28 HG3 LYS 28 14.238 -4.278 -6.817 212 HD2 LYS 28 HD2 LYS 28 13.987 -7.051 -7.439 213 HD3 LYS 28 HD3 LYS 28 13.695 -6.200 -8.942 214 HE2 LYS 28 HE2 LYS 28 15.821 -4.898 -8.600 215 HE3 LYS 28 HE3 LYS 28 16.118 -5.792 -7.122 216 HZ1 LYS 28 HZ1 LYS 28 15.661 -7.311 -9.598 217 HZ2 LYS 28 HZ2 LYS 28 17.121 -6.627 -9.370 218 H LYS 29 HN LYS 29 10.918 -4.032 -3.382 219 HA LYS 29 HA LYS 29 9.652 -6.394 -2.524 220 HB2 LYS 29 HB2 LYS 29 9.953 -3.621 -1.367 221 HB3 LYS 29 HB3 LYS 29 9.014 -4.856 -0.552 222 HG2 LYS 29 HG2 LYS 29 11.871 -5.365 -1.480 223 HG3 LYS 29 HG3 LYS 29 11.523 -4.656 0.084 224 HD2 LYS 29 HD2 LYS 29 9.790 -6.864 -0.019 225 HD3 LYS 29 HD3 LYS 29 11.238 -7.456 -0.808 226 HE2 LYS 29 HE2 LYS 29 12.151 -7.766 1.247 227 HE3 LYS 29 HE3 LYS 29 12.208 -6.024 1.429 228 HZ1 LYS 29 HZ1 LYS 29 10.265 -7.901 2.527 229 HZ2 LYS 29 HZ2 LYS 29 10.856 -6.534 3.185 230 H CYS 30 HN CYS 30 8.559 -3.511 -4.219 231 HA CYS 30 HA CYS 30 5.805 -4.441 -3.838 232 HB2 CYS 30 HB2 CYS 30 6.829 -1.634 -4.363 233 HB3 CYS 30 HB3 CYS 30 5.138 -2.089 -4.433 234 H HIS 31 HN HIS 31 8.381 -3.279 -6.055 235 HA HIS 31 HA HIS 31 6.698 -4.136 -8.295 236 HB2 HIS 31 HB2 HIS 31 8.971 -2.131 -8.248 237 HB3 HIS 31 HB3 HIS 31 8.111 -2.645 -9.686 238 HD1 HIS 31 HD1 HIS 31 5.262 -2.320 -9.259 239 HD2 HIS 31 HD2 HIS 31 7.982 0.232 -7.340 240 HE1 HIS 31 HE1 HIS 31 3.950 -0.227 -8.620 241 H GLU 32 HN GLU 32 7.398 -6.376 -7.640 242 HA GLU 32 HA GLU 32 10.078 -7.082 -7.700 243 HB2 GLU 32 HB2 GLU 32 9.196 -9.419 -7.967 244 HB3 GLU 32 HB3 GLU 32 8.427 -8.532 -6.667 245 HG2 GLU 32 HG2 GLU 32 6.488 -9.250 -7.663 246 HG3 GLU 32 HG3 GLU 32 6.740 -7.865 -8.707 247 HE2 GLU 32 HE2 GLU 32 6.550 -11.345 -10.276 248 H LYS 33 HN LYS 33 7.531 -6.977 -10.250 249 HA LYS 33 HA LYS 33 9.482 -7.874 -12.213 250 HB2 LYS 33 HB2 LYS 33 7.655 -8.242 -13.660 251 HB3 LYS 33 HB3 LYS 33 7.136 -8.810 -12.086 252 HG2 LYS 33 HG2 LYS 33 5.480 -7.246 -11.942 253 HG3 LYS 33 HG3 LYS 33 6.538 -5.950 -12.462 254 HD2 LYS 33 HD2 LYS 33 5.616 -5.988 -14.531 255 HD3 LYS 33 HD3 LYS 33 6.089 -7.663 -14.736 256 HE2 LYS 33 HE2 LYS 33 3.912 -8.282 -14.605 257 HE3 LYS 33 HE3 LYS 33 3.849 -7.688 -12.958 258 HZ1 LYS 33 HZ1 LYS 33 3.718 -5.482 -14.703 259 HZ2 LYS 33 HZ2 LYS 33 2.613 -6.569 -15.201 260 H GLY 34 HN GLY 34 10.130 -5.425 -10.949 261 HA2 GLY 34 HA1 GLY 34 10.967 -3.441 -11.652 262 HA3 GLY 34 HA2 GLY 34 10.322 -3.733 -13.255 263 HA PRO 35 HA PRO 35 7.996 -0.531 -10.342 264 HB2 PRO 35 HB2 PRO 35 9.168 1.250 -12.496 265 HB3 PRO 35 HB3 PRO 35 8.909 1.548 -10.747 266 HG2 PRO 35 HG2 PRO 35 11.441 0.932 -11.647 267 HG3 PRO 35 HG3 PRO 35 10.596 0.512 -10.121 268 HD2 PRO 35 HD2 PRO 35 11.155 -1.180 -12.597 269 HD3 PRO 35 HD3 PRO 35 11.228 -1.648 -10.871 270 H GLY 36 HN GLY 36 5.862 0.103 -10.943 271 HA2 GLY 36 HA1 GLY 36 4.775 0.866 -13.212 272 HA3 GLY 36 HA2 GLY 36 5.037 -0.824 -13.592 273 H LYS 37 HN LYS 37 2.686 -1.087 -13.740 274 HA LYS 37 HA LYS 37 1.172 -0.686 -11.320 275 HB2 LYS 37 HB2 LYS 37 -0.705 -0.965 -12.622 276 HB3 LYS 37 HB3 LYS 37 0.426 -0.317 -13.793 277 HG2 LYS 37 HG2 LYS 37 -0.052 -3.306 -13.379 278 HG3 LYS 37 HG3 LYS 37 -0.880 -2.350 -14.593 279 HD2 LYS 37 HD2 LYS 37 1.611 -1.635 -15.271 280 HD3 LYS 37 HD3 LYS 37 2.038 -3.126 -14.455 281 HE2 LYS 37 HE2 LYS 37 -0.260 -3.575 -16.202 282 HE3 LYS 37 HE3 LYS 37 1.043 -2.834 -17.110 283 HZ1 LYS 37 HZ1 LYS 37 1.100 -5.351 -16.907 284 HZ2 LYS 37 HZ2 LYS 37 2.496 -4.600 -16.531 285 H ILE 38 HN ILE 38 -0.256 -2.562 -10.526 286 HA ILE 38 HA ILE 38 1.327 -5.036 -10.613 287 HB ILE 38 HB ILE 38 -0.102 -3.822 -8.245 288 HG12 ILE 38 HG12 ILE 38 2.869 -4.281 -8.566 289 HG13 ILE 38 HG13 ILE 38 2.101 -2.772 -9.019 290 HG21 ILE 38 HG21 ILE 38 1.712 -6.097 -7.818 291 HG22 ILE 38 HG22 ILE 38 0.110 -5.749 -7.123 292 HG23 ILE 38 HG23 ILE 38 0.238 -6.492 -8.736 293 HD11 ILE 38 HD11 ILE 38 2.501 -3.960 -6.291 294 HD12 ILE 38 HD12 ILE 38 2.611 -2.263 -6.819 295 HD13 ILE 38 HD13 ILE 38 1.018 -3.013 -6.558 296 H GLU 39 HN GLU 39 0.080 -6.001 -12.249 297 HA GLU 39 HA GLU 39 -2.727 -5.928 -12.143 298 HB2 GLU 39 HB2 GLU 39 -0.641 -7.332 -13.784 299 HB3 GLU 39 HB3 GLU 39 -2.255 -8.014 -13.801 300 HG2 GLU 39 HG2 GLU 39 -2.798 -5.309 -14.106 301 HG3 GLU 39 HG3 GLU 39 -1.272 -5.455 -14.954 302 HE2 GLU 39 HE2 GLU 39 -1.660 -6.155 -17.172 303 H GLY 40 HN GLY 40 -3.666 -6.761 -10.282 304 HA2 GLY 40 HA1 GLY 40 -4.491 -9.114 -9.765 305 HA3 GLY 40 HA2 GLY 40 -2.805 -9.453 -9.433 306 H PHE 41 HN PHE 41 -2.830 -6.327 -8.579 307 HA PHE 41 HA PHE 41 -2.723 -6.767 -5.870 308 HB2 PHE 41 HB2 PHE 41 -1.847 -4.773 -7.115 309 HB3 PHE 41 HB3 PHE 41 -3.477 -4.308 -7.559 310 HD1 PHE 41 HD1 PHE 41 -1.221 -4.726 -4.643 311 HD2 PHE 41 HD2 PHE 41 -4.746 -2.914 -6.159 312 HE1 PHE 41 HE1 PHE 41 -1.376 -3.302 -2.582 313 HE2 PHE 41 HE2 PHE 41 -4.901 -1.490 -4.098 314 HZ PHE 41 HZ PHE 41 -3.214 -1.701 -2.334 315 H GLY 42 HN GLY 42 -4.177 -5.530 -4.205 316 HA2 GLY 42 HA1 GLY 42 -6.599 -4.712 -4.158 317 HA3 GLY 42 HA2 GLY 42 -6.963 -6.310 -4.777 318 H LYS 43 HN LYS 43 -8.217 -5.918 -2.502 319 HA LYS 43 HA LYS 43 -7.170 -5.972 -0.082 320 HB2 LYS 43 HB2 LYS 43 -8.976 -7.880 0.343 321 HB3 LYS 43 HB3 LYS 43 -9.426 -6.221 0.001 322 HG2 LYS 43 HG2 LYS 43 -10.300 -6.744 -2.053 323 HG3 LYS 43 HG3 LYS 43 -8.984 -7.831 -2.448 324 HD2 LYS 43 HD2 LYS 43 -11.056 -9.124 -2.268 325 HD3 LYS 43 HD3 LYS 43 -9.985 -9.580 -0.958 326 HE2 LYS 43 HE2 LYS 43 -11.306 -8.565 0.676 327 HE3 LYS 43 HE3 LYS 43 -11.897 -7.324 -0.412 328 HZ1 LYS 43 HZ1 LYS 43 -12.871 -10.076 -0.099 329 HZ2 LYS 43 HZ2 LYS 43 -13.730 -8.700 -0.240 330 H GLU 44 HN GLU 44 -6.932 -8.638 -2.466 331 HA GLU 44 HA GLU 44 -6.128 -10.698 -1.047 332 HB2 GLU 44 HB2 GLU 44 -5.898 -9.917 -3.707 333 HB3 GLU 44 HB3 GLU 44 -4.225 -10.168 -3.251 334 HG2 GLU 44 HG2 GLU 44 -5.118 -12.418 -2.179 335 HG3 GLU 44 HG3 GLU 44 -6.510 -12.162 -3.213 336 HE2 GLU 44 HE2 GLU 44 -3.003 -11.716 -3.921 337 H MET 45 HN MET 45 -3.529 -8.561 -2.416 338 HA MET 45 HA MET 45 -1.781 -9.393 -0.341 339 HB2 MET 45 HB2 MET 45 -1.521 -8.418 -2.947 340 HB3 MET 45 HB3 MET 45 -1.045 -7.019 -2.005 341 HG2 MET 45 HG2 MET 45 0.534 -8.592 -0.698 342 HG3 MET 45 HG3 MET 45 0.189 -9.809 -1.911 343 HE1 MET 45 HE1 MET 45 0.184 -9.340 -4.329 344 HE2 MET 45 HE2 MET 45 0.038 -7.607 -4.706 345 HE3 MET 45 HE3 MET 45 1.517 -8.493 -5.150 346 H ALA 46 HN ALA 46 -3.560 -6.379 -1.219 347 HA ALA 46 HA ALA 46 -2.467 -4.593 0.496 348 HB1 ALA 46 HB1 ALA 46 -5.343 -5.067 -0.352 349 HB2 ALA 46 HB2 ALA 46 -4.844 -3.642 0.591 350 HB3 ALA 46 HB3 ALA 46 -4.169 -3.917 -1.033 351 H HIS 47 HN HIS 47 -4.313 -7.495 1.261 352 HA HIS 47 HA HIS 47 -4.531 -6.606 4.033 353 HB2 HIS 47 HB2 HIS 47 -5.852 -8.908 2.569 354 HB3 HIS 47 HB3 HIS 47 -6.053 -8.565 4.276 355 HD1 HIS 47 HD1 HIS 47 -8.445 -8.528 2.247 356 HD2 HIS 47 HD2 HIS 47 -6.305 -5.146 3.503 357 HE1 HIS 47 HE1 HIS 47 -9.992 -6.530 1.891 358 H GLY 48 HN GLY 48 -3.605 -9.532 2.080 359 HA2 GLY 48 HA1 GLY 48 -2.358 -10.922 4.148 360 HA3 GLY 48 HA2 GLY 48 -2.047 -11.111 2.434 361 H LYS 49 HN LYS 49 0.218 -11.327 2.562 362 HA LYS 49 HA LYS 49 1.740 -9.393 4.034 363 HB2 LYS 49 HB2 LYS 49 2.136 -12.013 2.989 364 HB3 LYS 49 HB3 LYS 49 3.342 -10.976 2.255 365 HG2 LYS 49 HG2 LYS 49 3.521 -10.058 4.804 366 HG3 LYS 49 HG3 LYS 49 2.944 -11.675 5.151 367 HD2 LYS 49 HD2 LYS 49 4.827 -12.704 4.062 368 HD3 LYS 49 HD3 LYS 49 5.282 -11.214 3.260 369 HE2 LYS 49 HE2 LYS 49 5.217 -11.265 6.284 370 HE3 LYS 49 HE3 LYS 49 6.561 -12.032 5.462 371 HZ1 LYS 49 HZ1 LYS 49 5.786 -9.297 4.686 372 HZ2 LYS 49 HZ2 LYS 49 6.697 -9.516 6.019 373 H GLY 50 HN GLY 50 0.239 -7.821 2.501 374 HA2 GLY 50 HA1 GLY 50 1.901 -7.162 0.146 375 HA3 GLY 50 HA2 GLY 50 0.191 -6.817 0.312 376 H CYS 51 HN CYS 51 -0.335 -5.501 2.493 377 HA CYS 51 HA CYS 51 1.680 -3.376 2.633 378 HB2 CYS 51 HB2 CYS 51 -1.296 -3.017 2.997 379 HB3 CYS 51 HB3 CYS 51 -0.070 -1.767 2.919 380 H LYS 52 HN LYS 52 -1.069 -5.040 4.338 381 HA LYS 52 HA LYS 52 -0.425 -4.044 6.876 382 HB2 LYS 52 HB2 LYS 52 -1.842 -6.658 6.359 383 HB3 LYS 52 HB3 LYS 52 -2.067 -5.534 7.685 384 HG2 LYS 52 HG2 LYS 52 -2.562 -3.931 5.452 385 HG3 LYS 52 HG3 LYS 52 -3.216 -5.478 4.954 386 HD2 LYS 52 HD2 LYS 52 -3.909 -4.035 7.557 387 HD3 LYS 52 HD3 LYS 52 -4.919 -4.070 6.126 388 HE2 LYS 52 HE2 LYS 52 -5.875 -5.929 7.036 389 HE3 LYS 52 HE3 LYS 52 -4.427 -6.777 6.533 390 HZ1 LYS 52 HZ1 LYS 52 -3.657 -5.670 8.879 391 HZ2 LYS 52 HZ2 LYS 52 -5.220 -5.997 9.196 392 H GLY 53 HN GLY 53 0.938 -6.597 4.874 393 HA2 GLY 53 HA1 GLY 53 2.107 -8.147 6.935 394 HA3 GLY 53 HA2 GLY 53 2.560 -8.114 5.242 395 H CYS 54 HN CYS 54 3.224 -5.323 4.965 396 HA CYS 54 HA CYS 54 5.762 -5.386 6.352 397 HB2 CYS 54 HB2 CYS 54 5.255 -4.834 3.791 398 HB3 CYS 54 HB3 CYS 54 5.048 -3.212 4.421 399 H HIS 55 HN HIS 55 2.966 -4.758 7.564 400 HA HIS 55 HA HIS 55 3.696 -2.118 8.610 401 HB2 HIS 55 HB2 HIS 55 1.005 -3.275 7.900 402 HB3 HIS 55 HB3 HIS 55 1.146 -1.994 9.087 403 HD1 HIS 55 HD1 HIS 55 -0.426 -1.078 6.825 404 HD2 HIS 55 HD2 HIS 55 3.764 -1.050 6.632 405 HE1 HIS 55 HE1 HIS 55 0.194 0.589 4.996 406 H GLU 56 HN GLU 56 1.472 -4.863 9.484 407 HA GLU 56 HA GLU 56 1.626 -4.515 12.162 408 HB2 GLU 56 HB2 GLU 56 0.880 -6.698 10.322 409 HB3 GLU 56 HB3 GLU 56 1.429 -7.290 11.877 410 HG2 GLU 56 HG2 GLU 56 -0.169 -5.603 12.969 411 HG3 GLU 56 HG3 GLU 56 -0.815 -5.285 11.372 412 HE2 GLU 56 HE2 GLU 56 -1.548 -8.222 13.701 413 H GLU 57 HN GLU 57 3.789 -6.499 10.044 414 HA GLU 57 HA GLU 57 5.278 -7.663 12.002 415 HB2 GLU 57 HB2 GLU 57 5.929 -6.774 9.178 416 HB3 GLU 57 HB3 GLU 57 7.155 -7.540 10.169 417 HG2 GLU 57 HG2 GLU 57 5.816 -9.132 8.692 418 HG3 GLU 57 HG3 GLU 57 5.869 -9.566 10.389 419 HE2 GLU 57 HE2 GLU 57 3.479 -9.752 8.194 420 H MET 58 HN MET 58 5.316 -4.322 10.797 421 HA MET 58 HA MET 58 7.725 -3.802 12.319 422 HB2 MET 58 HB2 MET 58 6.079 -1.872 10.599 423 HB3 MET 58 HB3 MET 58 7.740 -1.656 11.114 424 HG2 MET 58 HG2 MET 58 8.191 -3.911 9.816 425 HG3 MET 58 HG3 MET 58 6.649 -3.595 9.045 426 HE1 MET 58 HE1 MET 58 10.607 -2.049 7.957 427 HE2 MET 58 HE2 MET 58 10.304 -1.663 9.669 428 HE3 MET 58 HE3 MET 58 10.113 -3.334 9.086 429 H LYS 59 HN LYS 59 4.267 -3.598 12.544 430 HA LYS 59 HA LYS 59 2.917 -2.832 14.114 431 HB2 LYS 59 HB2 LYS 59 5.106 -3.625 15.517 432 HB3 LYS 59 HB3 LYS 59 5.030 -1.940 15.994 433 HG2 LYS 59 HG2 LYS 59 3.570 -2.811 17.568 434 HG3 LYS 59 HG3 LYS 59 2.415 -2.493 16.288 435 HD2 LYS 59 HD2 LYS 59 1.953 -4.734 16.945 436 HD3 LYS 59 HD3 LYS 59 2.874 -4.903 15.463 437 HE2 LYS 59 HE2 LYS 59 4.431 -4.819 18.039 438 HE3 LYS 59 HE3 LYS 59 3.497 -6.267 17.719 439 HZ1 LYS 59 HZ1 LYS 59 5.955 -5.803 16.711 440 HZ2 LYS 59 HZ2 LYS 59 4.900 -6.856 16.056 441 H LYS 60 HN LYS 60 3.268 -1.186 12.007 442 HA LYS 60 HA LYS 60 2.678 1.335 13.130 443 HB2 LYS 60 HB2 LYS 60 4.685 2.376 11.688 444 HB3 LYS 60 HB3 LYS 60 4.813 2.025 13.399 445 HG2 LYS 60 HG2 LYS 60 5.994 -0.024 13.015 446 HG3 LYS 60 HG3 LYS 60 5.511 -0.092 11.332 447 HD2 LYS 60 HD2 LYS 60 7.205 1.296 10.653 448 HD3 LYS 60 HD3 LYS 60 6.998 2.380 12.014 449 HE2 LYS 60 HE2 LYS 60 8.034 -0.231 12.884 450 HE3 LYS 60 HE3 LYS 60 9.069 0.488 11.666 451 HZ1 LYS 60 HZ1 LYS 60 9.759 1.327 13.777 452 HZ2 LYS 60 HZ2 LYS 60 8.995 2.572 13.057 453 H GLY 61 HN GLY 61 1.276 2.346 11.762 454 HA2 GLY 61 HA1 GLY 61 0.883 3.044 9.453 455 HA3 GLY 61 HA2 GLY 61 1.263 1.407 8.955 456 HA PRO 62 HA PRO 62 -3.371 2.031 9.722 457 HB2 PRO 62 HB2 PRO 62 -4.173 1.586 7.138 458 HB3 PRO 62 HB3 PRO 62 -3.633 3.195 7.719 459 HG2 PRO 62 HG2 PRO 62 -1.974 1.201 6.249 460 HG3 PRO 62 HG3 PRO 62 -2.178 2.949 5.901 461 HD2 PRO 62 HD2 PRO 62 -0.056 2.047 7.336 462 HD3 PRO 62 HD3 PRO 62 -0.899 3.547 7.830 463 H THR 63 HN THR 63 -3.386 0.048 10.952 464 HA THR 63 HA THR 63 -3.224 -2.395 9.325 465 HB THR 63 HB THR 63 -2.974 -3.394 11.729 466 HG1 THR 63 HG1 THR 63 -3.750 -1.395 12.755 467 HG21 THR 63 HG21 THR 63 -0.601 -2.727 11.927 468 HG22 THR 63 HG22 THR 63 -0.982 -3.022 10.214 469 HG23 THR 63 HG23 THR 63 -0.872 -1.355 10.827 470 H LYS 64 HN LYS 64 -5.384 -0.273 11.041 471 HA LYS 64 HA LYS 64 -7.373 -2.368 11.326 472 HB2 LYS 64 HB2 LYS 64 -7.593 0.575 12.012 473 HB3 LYS 64 HB3 LYS 64 -8.658 -0.717 12.526 474 HG2 LYS 64 HG2 LYS 64 -7.338 -1.033 14.339 475 HG3 LYS 64 HG3 LYS 64 -6.055 -1.572 13.274 476 HD2 LYS 64 HD2 LYS 64 -5.227 0.739 13.023 477 HD3 LYS 64 HD3 LYS 64 -6.577 1.360 13.951 478 HE2 LYS 64 HE2 LYS 64 -5.791 0.347 15.988 479 HE3 LYS 64 HE3 LYS 64 -4.676 -0.702 15.134 480 HZ1 LYS 64 HZ1 LYS 64 -3.269 0.978 15.802 481 HZ2 LYS 64 HZ2 LYS 64 -3.693 1.602 14.359 482 H CYS 65 HN CYS 65 -9.653 -1.855 10.502 483 HA CYS 65 HA CYS 65 -9.401 -1.309 7.711 484 HB2 CYS 65 HB2 CYS 65 -12.088 -1.617 8.919 485 HB3 CYS 65 HB3 CYS 65 -11.413 -2.320 7.463 486 H GLY 66 HN GLY 66 -9.761 0.548 10.542 487 HA2 GLY 66 HA1 GLY 66 -11.461 2.587 9.299 488 HA3 GLY 66 HA2 GLY 66 -10.946 2.508 10.972 489 H GLU 67 HN GLU 67 -8.252 1.703 9.105 490 HA GLU 67 HA GLU 67 -7.333 4.457 9.284 491 HB2 GLU 67 HB2 GLU 67 -6.211 2.218 10.367 492 HB3 GLU 67 HB3 GLU 67 -5.379 2.240 8.824 493 HG2 GLU 67 HG2 GLU 67 -4.034 3.922 9.528 494 HG3 GLU 67 HG3 GLU 67 -5.423 4.942 9.849 495 HE2 GLU 67 HE2 GLU 67 -3.118 4.767 11.521 496 H CYS 68 HN CYS 68 -7.449 1.543 7.161 497 HA CYS 68 HA CYS 68 -6.312 3.057 4.984 498 HB2 CYS 68 HB2 CYS 68 -6.899 0.189 5.520 499 HB3 CYS 68 HB3 CYS 68 -7.013 0.702 3.848 500 H HIS 69 HN HIS 69 -9.368 1.246 5.784 501 HA HIS 69 HA HIS 69 -10.689 2.542 3.568 502 HB2 HIS 69 HB2 HIS 69 -11.678 0.506 5.585 503 HB3 HIS 69 HB3 HIS 69 -12.599 1.097 4.216 504 HD1 HIS 69 HD1 HIS 69 -11.257 0.682 1.770 505 HD2 HIS 69 HD2 HIS 69 -10.288 -1.776 5.029 506 HE1 HIS 69 HE1 HIS 69 -10.137 -1.392 0.793 507 H LYS 70 HN LYS 70 -10.553 4.759 4.323 508 HA LYS 70 HA LYS 70 -12.827 5.533 5.775 509 HB2 LYS 70 HB2 LYS 70 -10.541 4.898 7.393 510 HB3 LYS 70 HB3 LYS 70 -10.807 6.628 7.459 511 HG2 LYS 70 HG2 LYS 70 -13.162 4.738 7.743 512 HG3 LYS 70 HG3 LYS 70 -12.115 5.031 9.118 513 HD2 LYS 70 HD2 LYS 70 -12.789 7.562 7.826 514 HD3 LYS 70 HD3 LYS 70 -14.253 6.671 8.193 515 HE2 LYS 70 HE2 LYS 70 -12.207 6.681 10.371 516 HE3 LYS 70 HE3 LYS 70 -12.906 8.246 10.007 517 HZ1 LYS 70 HZ1 LYS 70 -14.191 6.937 11.672 518 HZ2 LYS 70 HZ2 LYS 70 -15.100 7.347 10.385 519 H LYS 71 HN LYS 71 -13.083 6.734 3.830 520 HA LYS 71 HA LYS 71 -11.007 8.663 3.210 521 HB2 LYS 71 HB2 LYS 71 -11.691 8.038 1.173 522 HB3 LYS 71 HB3 LYS 71 -13.176 7.334 1.780 523 HG2 LYS 71 HG2 LYS 71 -14.340 9.425 1.714 524 HG3 LYS 71 HG3 LYS 71 -12.856 10.351 1.615 525 HD2 LYS 71 HD2 LYS 71 -13.035 10.337 -0.643 526 HD3 LYS 71 HD3 LYS 71 -12.792 8.601 -0.626 527 HE2 LYS 71 HE2 LYS 71 -14.883 9.014 -1.778 528 HE3 LYS 71 HE3 LYS 71 -15.284 8.311 -0.223 529 HZ1 LYS 71 HZ1 LYS 71 -16.527 10.132 0.134 530 HZ2 LYS 71 HZ2 LYS 71 -15.183 11.050 0.192 Start of MODEL 11 1 H1 ALA 1 HN ALA 1 1.405 16.839 -7.168 2 HA ALA 1 HA ALA 1 0.312 15.420 -5.089 3 HB1 ALA 1 HB1 ALA 1 0.647 14.753 -8.037 4 HB2 ALA 1 HB2 ALA 1 -0.386 13.822 -6.926 5 HB3 ALA 1 HB3 ALA 1 -0.746 15.535 -7.251 6 H ASP 2 HN ASP 2 1.583 13.116 -7.337 7 HA ASP 2 HA ASP 2 3.312 11.729 -7.251 8 HB2 ASP 2 HB2 ASP 2 3.970 12.523 -4.393 9 HB3 ASP 2 HB3 ASP 2 5.030 11.784 -5.577 10 HD2 ASP 2 HD2 ASP 2 4.972 14.955 -4.282 11 H ASP 3 HN ASP 3 0.984 12.315 -4.665 12 HA ASP 3 HA ASP 3 1.263 9.948 -3.262 13 HB2 ASP 3 HB2 ASP 3 -0.134 12.114 -2.767 14 HB3 ASP 3 HB3 ASP 3 -1.392 11.357 -3.724 15 HD2 ASP 3 HD2 ASP 3 -0.204 9.802 -0.254 16 H ILE 4 HN ILE 4 -1.101 8.536 -3.219 17 HA ILE 4 HA ILE 4 -2.022 8.012 -5.892 18 HB ILE 4 HB ILE 4 -0.264 6.070 -4.411 19 HG12 ILE 4 HG12 ILE 4 -0.166 7.510 -7.039 20 HG13 ILE 4 HG13 ILE 4 1.087 7.299 -5.832 21 HG21 ILE 4 HG21 ILE 4 -2.162 5.447 -6.690 22 HG22 ILE 4 HG22 ILE 4 -0.943 4.345 -6.007 23 HG23 ILE 4 HG23 ILE 4 -2.314 4.884 -5.009 24 HD11 ILE 4 HD11 ILE 4 1.093 4.807 -6.392 25 HD12 ILE 4 HD12 ILE 4 0.015 5.192 -7.755 26 HD13 ILE 4 HD13 ILE 4 1.657 5.875 -7.699 27 H VAL 5 HN VAL 5 -4.165 7.593 -5.765 28 HA VAL 5 HA VAL 5 -5.144 6.642 -3.161 29 HB VAL 5 HB VAL 5 -6.676 8.273 -5.184 30 HG11 VAL 5 HG11 VAL 5 -7.294 8.425 -2.296 31 HG12 VAL 5 HG12 VAL 5 -8.379 8.292 -3.701 32 HG13 VAL 5 HG13 VAL 5 -7.583 6.839 -3.049 33 HG21 VAL 5 HG21 VAL 5 -5.169 9.320 -2.764 34 HG22 VAL 5 HG22 VAL 5 -4.664 9.528 -4.458 35 HG23 VAL 5 HG23 VAL 5 -6.178 10.268 -3.883 36 H PHE 6 HN PHE 6 -6.520 4.867 -3.123 37 HA PHE 6 HA PHE 6 -7.008 3.649 -5.751 38 HB2 PHE 6 HB2 PHE 6 -6.442 2.489 -2.958 39 HB3 PHE 6 HB3 PHE 6 -6.919 1.492 -4.318 40 HD1 PHE 6 HD1 PHE 6 -5.393 1.264 -6.274 41 HD2 PHE 6 HD2 PHE 6 -4.200 3.262 -2.727 42 HE1 PHE 6 HE1 PHE 6 -2.989 1.050 -6.963 43 HE2 PHE 6 HE2 PHE 6 -1.795 3.049 -3.415 44 HZ PHE 6 HZ PHE 6 -1.219 1.945 -5.525 45 H LYS 7 HN LYS 7 -9.131 4.238 -6.163 46 HA LYS 7 HA LYS 7 -11.117 4.773 -4.448 47 HB2 LYS 7 HB2 LYS 7 -10.989 3.652 -7.197 48 HB3 LYS 7 HB3 LYS 7 -12.526 3.492 -6.372 49 HG2 LYS 7 HG2 LYS 7 -11.691 6.133 -5.793 50 HG3 LYS 7 HG3 LYS 7 -11.252 5.898 -7.473 51 HD2 LYS 7 HD2 LYS 7 -13.925 4.807 -6.881 52 HD3 LYS 7 HD3 LYS 7 -13.818 6.511 -6.488 53 HE2 LYS 7 HE2 LYS 7 -13.710 7.130 -8.686 54 HE3 LYS 7 HE3 LYS 7 -12.526 5.895 -9.068 55 HZ1 LYS 7 HZ1 LYS 7 -14.672 4.368 -8.747 56 HZ2 LYS 7 HZ2 LYS 7 -15.434 5.729 -9.215 57 H ALA 8 HN ALA 8 -12.312 3.750 -2.914 58 HA ALA 8 HA ALA 8 -12.274 0.818 -2.948 59 HB1 ALA 8 HB1 ALA 8 -10.907 2.516 -1.109 60 HB2 ALA 8 HB2 ALA 8 -12.297 1.816 -0.245 61 HB3 ALA 8 HB3 ALA 8 -11.108 0.749 -1.030 62 H LYS 9 HN LYS 9 -14.155 -0.165 -1.949 63 HA LYS 9 HA LYS 9 -16.464 1.563 -2.186 64 HB2 LYS 9 HB2 LYS 9 -16.438 -1.403 -1.603 65 HB3 LYS 9 HB3 LYS 9 -17.742 -0.442 -2.271 66 HG2 LYS 9 HG2 LYS 9 -15.801 0.105 -4.115 67 HG3 LYS 9 HG3 LYS 9 -15.271 -1.487 -3.610 68 HD2 LYS 9 HD2 LYS 9 -18.076 -1.737 -3.911 69 HD3 LYS 9 HD3 LYS 9 -17.579 -0.738 -5.262 70 HE2 LYS 9 HE2 LYS 9 -16.305 -2.424 -6.232 71 HE3 LYS 9 HE3 LYS 9 -15.856 -3.127 -4.691 72 HZ1 LYS 9 HZ1 LYS 9 -18.021 -4.125 -4.510 73 HZ2 LYS 9 HZ2 LYS 9 -18.602 -3.321 -5.801 74 H ASN 10 HN ASN 10 -14.317 1.496 0.121 75 HA ASN 10 HA ASN 10 -16.339 1.747 2.157 76 HB2 ASN 10 HB2 ASN 10 -14.191 -0.338 2.112 77 HB3 ASN 10 HB3 ASN 10 -14.322 0.537 3.624 78 HD21 ASN 10 HD21 ASN 10 -14.920 -1.590 4.426 79 HD22 ASN 10 HD22 ASN 10 -16.572 -2.107 4.359 80 H GLY 11 HN GLY 11 -14.438 3.448 0.468 81 HA2 GLY 11 HA1 GLY 11 -13.691 5.565 1.345 82 HA3 GLY 11 HA2 GLY 11 -12.972 4.718 2.700 83 H ASP 12 HN ASP 12 -12.004 6.443 0.200 84 HA ASP 12 HA ASP 12 -10.445 4.852 -1.382 85 HB2 ASP 12 HB2 ASP 12 -10.675 7.687 -0.704 86 HB3 ASP 12 HB3 ASP 12 -8.990 7.263 -0.931 87 HD2 ASP 12 HD2 ASP 12 -10.475 8.930 -2.622 88 H VAL 13 HN VAL 13 -8.287 4.029 -1.168 89 HA VAL 13 HA VAL 13 -7.204 4.194 1.548 90 HB VAL 13 HB VAL 13 -7.085 2.169 -0.663 91 HG11 VAL 13 HG11 VAL 13 -5.429 1.003 1.067 92 HG12 VAL 13 HG12 VAL 13 -4.837 2.068 -0.231 93 HG13 VAL 13 HG13 VAL 13 -5.010 2.695 1.426 94 HG21 VAL 13 HG21 VAL 13 -7.320 1.099 1.992 95 HG22 VAL 13 HG22 VAL 13 -8.485 2.431 1.796 96 HG23 VAL 13 HG23 VAL 13 -8.498 1.062 0.658 97 H LYS 14 HN LYS 14 -5.933 6.022 1.611 98 HA LYS 14 HA LYS 14 -4.381 6.811 -0.637 99 HB2 LYS 14 HB2 LYS 14 -5.295 7.975 1.758 100 HB3 LYS 14 HB3 LYS 14 -3.548 7.987 1.880 101 HG2 LYS 14 HG2 LYS 14 -3.988 8.749 -0.780 102 HG3 LYS 14 HG3 LYS 14 -5.314 9.519 0.069 103 HD2 LYS 14 HD2 LYS 14 -2.543 9.722 1.256 104 HD3 LYS 14 HD3 LYS 14 -2.922 10.709 -0.142 105 HE2 LYS 14 HE2 LYS 14 -4.755 10.645 2.289 106 HE3 LYS 14 HE3 LYS 14 -3.373 11.721 2.220 107 HZ1 LYS 14 HZ1 LYS 14 -5.477 11.663 0.124 108 HZ2 LYS 14 HZ2 LYS 14 -5.481 12.717 1.366 109 H PHE 15 HN PHE 15 -2.124 6.671 -0.953 110 HA PHE 15 HA PHE 15 -0.630 5.109 0.983 111 HB2 PHE 15 HB2 PHE 15 -1.679 3.513 -0.684 112 HB3 PHE 15 HB3 PHE 15 -1.010 4.455 -2.002 113 HD1 PHE 15 HD2 PHE 15 0.662 3.435 1.160 114 HD2 PHE 15 HD1 PHE 15 0.437 2.955 -3.050 115 HE1 PHE 15 HE2 PHE 15 2.740 2.027 1.209 116 HE2 PHE 15 HE1 PHE 15 2.514 1.548 -3.001 117 HZ PHE 15 HZ PHE 15 3.641 1.101 -0.872 118 HA PRO 16 HA PRO 16 2.009 8.510 -0.244 119 HB2 PRO 16 HB2 PRO 16 3.757 7.270 1.844 120 HB3 PRO 16 HB3 PRO 16 3.051 8.916 1.741 121 HG2 PRO 16 HG2 PRO 16 2.145 7.060 3.536 122 HG3 PRO 16 HG3 PRO 16 1.197 8.369 2.758 123 HD2 PRO 16 HD2 PRO 16 1.388 5.398 2.077 124 HD3 PRO 16 HD3 PRO 16 -0.054 6.458 2.102 125 H HIS 17 HN HIS 17 2.611 7.689 -2.367 126 HA HIS 17 HA HIS 17 4.264 5.402 -2.565 127 HB2 HIS 17 HB2 HIS 17 2.649 6.303 -4.300 128 HB3 HIS 17 HB3 HIS 17 3.823 7.558 -4.642 129 HD1 HIS 17 HD1 HIS 17 5.664 6.996 -6.277 130 HD2 HIS 17 HD2 HIS 17 3.680 3.588 -4.846 131 HE1 HIS 17 HE1 HIS 17 6.556 5.027 -7.633 132 H LYS 18 HN LYS 18 4.877 8.946 -3.123 133 HA LYS 18 HA LYS 18 7.616 8.686 -3.461 134 HB2 LYS 18 HB2 LYS 18 6.245 10.662 -4.074 135 HB3 LYS 18 HB3 LYS 18 6.061 11.053 -2.376 136 HG2 LYS 18 HG2 LYS 18 8.597 11.147 -2.187 137 HG3 LYS 18 HG3 LYS 18 8.692 10.917 -3.921 138 HD2 LYS 18 HD2 LYS 18 8.706 13.231 -3.890 139 HD3 LYS 18 HD3 LYS 18 6.971 12.989 -3.937 140 HE2 LYS 18 HE2 LYS 18 6.834 14.176 -2.006 141 HE3 LYS 18 HE3 LYS 18 7.593 12.822 -1.192 142 HZ1 LYS 18 HZ1 LYS 18 9.074 15.067 -2.457 143 HZ2 LYS 18 HZ2 LYS 18 8.846 14.884 -0.855 144 H ALA 19 HN ALA 19 5.601 9.017 -0.508 145 HA ALA 19 HA ALA 19 7.743 9.424 1.259 146 HB1 ALA 19 HB1 ALA 19 5.499 7.992 2.430 147 HB2 ALA 19 HB2 ALA 19 6.022 9.674 2.685 148 HB3 ALA 19 HB3 ALA 19 4.927 9.277 1.340 149 H HIS 20 HN HIS 20 5.886 6.436 0.345 150 HA HIS 20 HA HIS 20 7.457 4.730 1.891 151 HB2 HIS 20 HB2 HIS 20 5.508 4.422 -0.356 152 HB3 HIS 20 HB3 HIS 20 6.515 3.047 0.052 153 HD1 HIS 20 HD1 HIS 20 3.969 5.389 1.665 154 HD2 HIS 20 HD2 HIS 20 5.698 1.616 2.270 155 HE1 HIS 20 HE1 HIS 20 2.686 4.316 3.591 156 H GLN 21 HN GLN 21 8.160 6.488 -0.988 157 HA GLN 21 HA GLN 21 9.993 4.571 -2.022 158 HB2 GLN 21 HB2 GLN 21 9.380 7.472 -2.709 159 HB3 GLN 21 HB3 GLN 21 10.636 6.564 -3.528 160 HG2 GLN 21 HG2 GLN 21 8.033 5.132 -3.342 161 HG3 GLN 21 HG3 GLN 21 7.966 6.613 -4.277 162 HE21 GLN 21 HE21 GLN 21 7.852 5.873 -6.291 163 HE22 GLN 21 HE22 GLN 21 9.030 4.879 -7.081 164 H LYS 22 HN LYS 22 10.003 6.781 0.579 165 HA LYS 22 HA LYS 22 12.920 7.064 0.431 166 HB2 LYS 22 HB2 LYS 22 11.002 9.003 0.806 167 HB3 LYS 22 HB3 LYS 22 11.468 8.636 2.454 168 HG2 LYS 22 HG2 LYS 22 13.932 8.707 1.148 169 HG3 LYS 22 HG3 LYS 22 13.029 9.950 0.304 170 HD2 LYS 22 HD2 LYS 22 13.583 11.323 2.034 171 HD3 LYS 22 HD3 LYS 22 12.368 10.463 2.959 172 HE2 LYS 22 HE2 LYS 22 14.362 8.723 3.369 173 HE3 LYS 22 HE3 LYS 22 15.369 10.101 2.975 174 HZ1 LYS 22 HZ1 LYS 22 14.599 11.268 4.825 175 HZ2 LYS 22 HZ2 LYS 22 13.211 10.427 4.956 176 H ALA 23 HN ALA 23 10.142 5.849 2.309 177 HA ALA 23 HA ALA 23 11.680 5.191 4.603 178 HB1 ALA 23 HB1 ALA 23 8.916 4.617 3.552 179 HB2 ALA 23 HB2 ALA 23 9.538 3.681 4.933 180 HB3 ALA 23 HB3 ALA 23 9.410 5.453 5.044 181 H VAL 24 HN VAL 24 10.363 3.306 1.794 182 HA VAL 24 HA VAL 24 12.087 1.090 2.603 183 HB VAL 24 HB VAL 24 9.857 1.256 0.565 184 HG11 VAL 24 HG11 VAL 24 11.099 -1.258 1.699 185 HG12 VAL 24 HG12 VAL 24 10.027 -1.083 0.289 186 HG13 VAL 24 HG13 VAL 24 11.703 -0.486 0.213 187 HG21 VAL 24 HG21 VAL 24 9.580 1.341 3.290 188 HG22 VAL 24 HG22 VAL 24 8.365 0.701 2.159 189 HG23 VAL 24 HG23 VAL 24 9.494 -0.408 2.973 190 HA PRO 25 HA PRO 25 14.904 2.155 -0.610 191 HB2 PRO 25 HB2 PRO 25 16.590 0.050 -0.367 192 HB3 PRO 25 HB3 PRO 25 16.392 1.234 0.966 193 HG2 PRO 25 HG2 PRO 25 15.046 -1.616 0.899 194 HG3 PRO 25 HG3 PRO 25 15.959 -0.549 2.014 195 HD2 PRO 25 HD2 PRO 25 13.093 -0.716 1.650 196 HD3 PRO 25 HD3 PRO 25 13.985 0.496 2.618 197 H ASP 26 HN ASP 26 15.361 -1.320 -0.998 198 HA ASP 26 HA ASP 26 15.047 -1.357 -3.632 199 HB2 ASP 26 HB2 ASP 26 15.823 -3.302 -2.371 200 HB3 ASP 26 HB3 ASP 26 14.262 -3.490 -1.598 201 HD2 ASP 26 HD2 ASP 26 14.634 -5.630 -2.464 202 H CYS 27 HN CYS 27 13.311 -1.180 -5.085 203 HA CYS 27 HA CYS 27 10.696 -0.800 -3.935 204 HB2 CYS 27 HB2 CYS 27 11.704 -0.509 -6.773 205 HB3 CYS 27 HB3 CYS 27 10.065 -0.166 -6.256 206 H LYS 28 HN LYS 28 12.646 -3.241 -5.535 207 HA LYS 28 HA LYS 28 10.818 -4.732 -6.898 208 HB2 LYS 28 HB2 LYS 28 13.129 -5.710 -5.194 209 HB3 LYS 28 HB3 LYS 28 12.305 -6.652 -6.420 210 HG2 LYS 28 HG2 LYS 28 13.082 -4.059 -7.516 211 HG3 LYS 28 HG3 LYS 28 14.474 -4.843 -6.797 212 HD2 LYS 28 HD2 LYS 28 13.487 -6.987 -8.107 213 HD3 LYS 28 HD3 LYS 28 12.772 -5.744 -9.115 214 HE2 LYS 28 HE2 LYS 28 14.758 -5.383 -10.149 215 HE3 LYS 28 HE3 LYS 28 15.524 -5.009 -8.618 216 HZ1 LYS 28 HZ1 LYS 28 15.513 -7.528 -10.072 217 HZ2 LYS 28 HZ2 LYS 28 16.672 -6.900 -9.117 218 H LYS 29 HN LYS 29 11.009 -4.106 -3.454 219 HA LYS 29 HA LYS 29 9.696 -6.380 -2.517 220 HB2 LYS 29 HB2 LYS 29 9.892 -3.552 -1.456 221 HB3 LYS 29 HB3 LYS 29 9.111 -4.850 -0.577 222 HG2 LYS 29 HG2 LYS 29 12.013 -4.844 -1.534 223 HG3 LYS 29 HG3 LYS 29 11.482 -4.598 0.118 224 HD2 LYS 29 HD2 LYS 29 11.676 -6.848 0.386 225 HD3 LYS 29 HD3 LYS 29 10.217 -6.994 -0.573 226 HE2 LYS 29 HE2 LYS 29 11.627 -7.083 -2.661 227 HE3 LYS 29 HE3 LYS 29 13.070 -7.001 -1.671 228 HZ1 LYS 29 HZ1 LYS 29 11.404 -9.261 -2.183 229 HZ2 LYS 29 HZ2 LYS 29 12.901 -9.229 -1.544 230 H CYS 30 HN CYS 30 8.549 -3.420 -4.126 231 HA CYS 30 HA CYS 30 5.818 -4.424 -3.792 232 HB2 CYS 30 HB2 CYS 30 6.776 -1.599 -4.359 233 HB3 CYS 30 HB3 CYS 30 5.096 -2.098 -4.326 234 H HIS 31 HN HIS 31 8.412 -3.341 -6.001 235 HA HIS 31 HA HIS 31 6.700 -4.119 -8.249 236 HB2 HIS 31 HB2 HIS 31 9.036 -2.189 -8.169 237 HB3 HIS 31 HB3 HIS 31 8.205 -2.688 -9.629 238 HD1 HIS 31 HD1 HIS 31 5.391 -2.233 -9.397 239 HD2 HIS 31 HD2 HIS 31 8.046 0.151 -7.192 240 HE1 HIS 31 HE1 HIS 31 4.106 -0.118 -8.776 241 H GLU 32 HN GLU 32 7.556 -6.307 -7.112 242 HA GLU 32 HA GLU 32 10.158 -7.069 -7.426 243 HB2 GLU 32 HB2 GLU 32 9.218 -9.422 -7.466 244 HB3 GLU 32 HB3 GLU 32 8.636 -8.428 -6.145 245 HG2 GLU 32 HG2 GLU 32 6.557 -9.080 -6.835 246 HG3 GLU 32 HG3 GLU 32 6.752 -7.853 -8.071 247 HE2 GLU 32 HE2 GLU 32 6.266 -11.509 -8.413 248 H LYS 33 HN LYS 33 7.435 -7.115 -9.781 249 HA LYS 33 HA LYS 33 9.206 -8.238 -11.797 250 HB2 LYS 33 HB2 LYS 33 7.277 -8.689 -13.055 251 HB3 LYS 33 HB3 LYS 33 6.826 -9.047 -11.400 252 HG2 LYS 33 HG2 LYS 33 5.164 -7.508 -11.469 253 HG3 LYS 33 HG3 LYS 33 6.302 -6.244 -11.892 254 HD2 LYS 33 HD2 LYS 33 4.854 -6.249 -13.750 255 HD3 LYS 33 HD3 LYS 33 6.187 -7.236 -14.319 256 HE2 LYS 33 HE2 LYS 33 4.872 -9.090 -14.494 257 HE3 LYS 33 HE3 LYS 33 4.210 -8.869 -12.886 258 HZ1 LYS 33 HZ1 LYS 33 2.938 -6.919 -14.141 259 HZ2 LYS 33 HZ2 LYS 33 3.166 -7.886 -15.431 260 H GLY 34 HN GLY 34 9.981 -5.695 -10.766 261 HA2 GLY 34 HA1 GLY 34 10.818 -3.798 -11.675 262 HA3 GLY 34 HA2 GLY 34 10.100 -4.220 -13.218 263 HA PRO 35 HA PRO 35 7.953 -0.641 -10.758 264 HB2 PRO 35 HB2 PRO 35 8.534 1.224 -12.775 265 HB3 PRO 35 HB3 PRO 35 9.498 0.974 -11.283 266 HG2 PRO 35 HG2 PRO 35 9.954 -0.243 -13.989 267 HG3 PRO 35 HG3 PRO 35 11.286 0.491 -13.037 268 HD2 PRO 35 HD2 PRO 35 11.041 -2.123 -12.901 269 HD3 PRO 35 HD3 PRO 35 11.046 -1.261 -11.333 270 H GLY 36 HN GLY 36 5.942 0.461 -11.595 271 HA2 GLY 36 HA1 GLY 36 4.588 0.748 -13.644 272 HA3 GLY 36 HA2 GLY 36 4.915 -0.938 -13.993 273 H LYS 37 HN LYS 37 2.461 -1.035 -14.007 274 HA LYS 37 HA LYS 37 1.136 -0.739 -11.494 275 HB2 LYS 37 HB2 LYS 37 -0.801 -1.053 -12.672 276 HB3 LYS 37 HB3 LYS 37 0.246 -0.477 -13.954 277 HG2 LYS 37 HG2 LYS 37 -0.218 -3.432 -13.334 278 HG3 LYS 37 HG3 LYS 37 -1.101 -2.542 -14.558 279 HD2 LYS 37 HD2 LYS 37 1.044 -2.020 -15.732 280 HD3 LYS 37 HD3 LYS 37 1.935 -2.896 -14.503 281 HE2 LYS 37 HE2 LYS 37 -0.120 -4.671 -15.395 282 HE3 LYS 37 HE3 LYS 37 0.542 -3.938 -16.842 283 HZ1 LYS 37 HZ1 LYS 37 2.756 -4.618 -16.137 284 HZ2 LYS 37 HZ2 LYS 37 2.196 -5.218 -14.731 285 H ILE 38 HN ILE 38 -0.110 -2.595 -10.489 286 HA ILE 38 HA ILE 38 1.556 -5.013 -10.610 287 HB ILE 38 HB ILE 38 0.098 -3.788 -8.266 288 HG12 ILE 38 HG12 ILE 38 3.073 -4.225 -8.533 289 HG13 ILE 38 HG13 ILE 38 2.310 -2.761 -9.123 290 HG21 ILE 38 HG21 ILE 38 0.963 -5.595 -6.926 291 HG22 ILE 38 HG22 ILE 38 0.020 -6.269 -8.277 292 HG23 ILE 38 HG23 ILE 38 1.799 -6.295 -8.333 293 HD11 ILE 38 HD11 ILE 38 1.185 -3.046 -6.583 294 HD12 ILE 38 HD12 ILE 38 2.862 -3.596 -6.351 295 HD13 ILE 38 HD13 ILE 38 2.540 -1.971 -7.003 296 H GLU 39 HN GLU 39 0.271 -5.905 -12.329 297 HA GLU 39 HA GLU 39 -2.497 -6.049 -12.163 298 HB2 GLU 39 HB2 GLU 39 -0.816 -6.471 -14.158 299 HB3 GLU 39 HB3 GLU 39 -0.839 -8.132 -13.601 300 HG2 GLU 39 HG2 GLU 39 -3.554 -7.450 -13.610 301 HG3 GLU 39 HG3 GLU 39 -2.938 -6.593 -15.009 302 HE2 GLU 39 HE2 GLU 39 -1.012 -8.901 -15.900 303 H GLY 40 HN GLY 40 -3.499 -6.945 -10.389 304 HA2 GLY 40 HA1 GLY 40 -4.176 -9.294 -9.782 305 HA3 GLY 40 HA2 GLY 40 -2.477 -9.550 -9.438 306 H PHE 41 HN PHE 41 -2.668 -6.406 -8.650 307 HA PHE 41 HA PHE 41 -2.572 -6.813 -5.921 308 HB2 PHE 41 HB2 PHE 41 -1.698 -4.827 -7.176 309 HB3 PHE 41 HB3 PHE 41 -3.323 -4.395 -7.670 310 HD1 PHE 41 HD2 PHE 41 -4.910 -3.456 -6.029 311 HD2 PHE 41 HD1 PHE 41 -0.875 -4.265 -4.992 312 HE1 PHE 41 HE2 PHE 41 -5.139 -1.997 -3.999 313 HE2 PHE 41 HE1 PHE 41 -1.104 -2.807 -2.962 314 HZ PHE 41 HZ PHE 41 -3.233 -1.690 -2.490 315 H GLY 42 HN GLY 42 -4.057 -5.790 -4.244 316 HA2 GLY 42 HA1 GLY 42 -6.535 -4.947 -4.333 317 HA3 GLY 42 HA2 GLY 42 -6.807 -6.601 -4.845 318 H LYS 43 HN LYS 43 -8.060 -5.881 -2.547 319 HA LYS 43 HA LYS 43 -6.993 -5.815 -0.153 320 HB2 LYS 43 HB2 LYS 43 -8.839 -7.682 0.396 321 HB3 LYS 43 HB3 LYS 43 -9.236 -6.016 0.027 322 HG2 LYS 43 HG2 LYS 43 -10.154 -6.544 -2.012 323 HG3 LYS 43 HG3 LYS 43 -8.912 -7.723 -2.383 324 HD2 LYS 43 HD2 LYS 43 -11.171 -8.770 -2.092 325 HD3 LYS 43 HD3 LYS 43 -9.988 -9.407 -0.967 326 HE2 LYS 43 HE2 LYS 43 -10.835 -7.793 0.785 327 HE3 LYS 43 HE3 LYS 43 -12.065 -7.253 -0.341 328 HZ1 LYS 43 HZ1 LYS 43 -13.065 -9.400 -0.318 329 HZ2 LYS 43 HZ2 LYS 43 -11.799 -10.105 0.425 330 H GLU 44 HN GLU 44 -6.966 -8.734 -2.263 331 HA GLU 44 HA GLU 44 -6.128 -10.642 -0.667 332 HB2 GLU 44 HB2 GLU 44 -5.559 -9.904 -3.474 333 HB3 GLU 44 HB3 GLU 44 -4.338 -10.953 -2.781 334 HG2 GLU 44 HG2 GLU 44 -6.218 -12.489 -1.987 335 HG3 GLU 44 HG3 GLU 44 -7.343 -11.485 -2.881 336 HE2 GLU 44 HE2 GLU 44 -7.277 -11.658 -5.119 337 H MET 45 HN MET 45 -3.680 -8.518 -2.333 338 HA MET 45 HA MET 45 -1.721 -9.302 -0.429 339 HB2 MET 45 HB2 MET 45 -1.376 -8.730 -2.934 340 HB3 MET 45 HB3 MET 45 -1.602 -7.047 -2.503 341 HG2 MET 45 HG2 MET 45 0.524 -6.875 -1.699 342 HG3 MET 45 HG3 MET 45 0.339 -8.308 -0.706 343 HE1 MET 45 HE1 MET 45 0.832 -6.851 -4.109 344 HE2 MET 45 HE2 MET 45 2.533 -7.003 -3.608 345 HE3 MET 45 HE3 MET 45 1.915 -7.974 -4.966 346 H ALA 46 HN ALA 46 -3.537 -6.271 -1.226 347 HA ALA 46 HA ALA 46 -2.337 -4.524 0.470 348 HB1 ALA 46 HB1 ALA 46 -5.105 -4.012 0.665 349 HB2 ALA 46 HB2 ALA 46 -3.966 -3.335 -0.524 350 HB3 ALA 46 HB3 ALA 46 -4.881 -4.812 -0.909 351 H HIS 47 HN HIS 47 -4.236 -7.378 1.252 352 HA HIS 47 HA HIS 47 -4.433 -6.485 4.023 353 HB2 HIS 47 HB2 HIS 47 -5.767 -8.780 2.560 354 HB3 HIS 47 HB3 HIS 47 -5.954 -8.451 4.271 355 HD1 HIS 47 HD1 HIS 47 -8.383 -8.398 2.317 356 HD2 HIS 47 HD2 HIS 47 -6.183 -5.018 3.472 357 HE1 HIS 47 HE1 HIS 47 -9.922 -6.391 1.975 358 H GLY 48 HN GLY 48 -3.454 -9.365 2.034 359 HA2 GLY 48 HA1 GLY 48 -2.241 -10.795 4.099 360 HA3 GLY 48 HA2 GLY 48 -1.898 -10.945 2.387 361 H LYS 49 HN LYS 49 0.343 -11.035 2.352 362 HA LYS 49 HA LYS 49 1.840 -9.165 3.963 363 HB2 LYS 49 HB2 LYS 49 3.787 -10.396 3.171 364 HB3 LYS 49 HB3 LYS 49 2.571 -11.490 3.800 365 HG2 LYS 49 HG2 LYS 49 2.567 -12.600 1.827 366 HG3 LYS 49 HG3 LYS 49 1.963 -11.161 1.029 367 HD2 LYS 49 HD2 LYS 49 4.084 -10.491 0.303 368 HD3 LYS 49 HD3 LYS 49 4.909 -11.261 1.644 369 HE2 LYS 49 HE2 LYS 49 4.214 -13.524 0.609 370 HE3 LYS 49 HE3 LYS 49 3.709 -12.624 -0.807 371 HZ1 LYS 49 HZ1 LYS 49 5.844 -12.448 -1.444 372 HZ2 LYS 49 HZ2 LYS 49 6.326 -11.836 -0.014 373 H GLY 50 HN GLY 50 0.252 -7.647 2.381 374 HA2 GLY 50 HA1 GLY 50 1.936 -6.876 0.082 375 HA3 GLY 50 HA2 GLY 50 0.220 -6.563 0.252 376 H CYS 51 HN CYS 51 -0.284 -5.355 2.539 377 HA CYS 51 HA CYS 51 1.666 -3.171 2.684 378 HB2 CYS 51 HB2 CYS 51 -1.317 -2.918 3.095 379 HB3 CYS 51 HB3 CYS 51 -0.135 -1.625 3.079 380 H LYS 52 HN LYS 52 -1.075 -4.829 4.420 381 HA LYS 52 HA LYS 52 -0.339 -3.936 6.960 382 HB2 LYS 52 HB2 LYS 52 -1.808 -6.514 6.395 383 HB3 LYS 52 HB3 LYS 52 -1.970 -5.445 7.774 384 HG2 LYS 52 HG2 LYS 52 -2.608 -3.654 5.866 385 HG3 LYS 52 HG3 LYS 52 -3.023 -5.101 4.969 386 HD2 LYS 52 HD2 LYS 52 -4.967 -4.165 6.254 387 HD3 LYS 52 HD3 LYS 52 -4.592 -5.817 6.701 388 HE2 LYS 52 HE2 LYS 52 -3.078 -3.871 8.320 389 HE3 LYS 52 HE3 LYS 52 -4.808 -3.629 8.457 390 HZ1 LYS 52 HZ1 LYS 52 -4.799 -6.218 8.761 391 HZ2 LYS 52 HZ2 LYS 52 -3.245 -6.004 9.196 392 H GLY 53 HN GLY 53 1.031 -6.343 4.834 393 HA2 GLY 53 HA1 GLY 53 2.180 -8.049 6.775 394 HA3 GLY 53 HA2 GLY 53 2.666 -7.866 5.102 395 H CYS 54 HN CYS 54 3.530 -5.275 4.842 396 HA CYS 54 HA CYS 54 5.907 -5.347 6.472 397 HB2 CYS 54 HB2 CYS 54 5.913 -4.969 3.956 398 HB3 CYS 54 HB3 CYS 54 5.239 -3.381 4.264 399 H HIS 55 HN HIS 55 3.211 -4.724 7.652 400 HA HIS 55 HA HIS 55 3.825 -2.002 8.547 401 HB2 HIS 55 HB2 HIS 55 1.213 -3.254 7.764 402 HB3 HIS 55 HB3 HIS 55 1.228 -2.025 9.014 403 HD1 HIS 55 HD1 HIS 55 -0.293 -0.933 6.887 404 HD2 HIS 55 HD2 HIS 55 3.889 -0.978 6.566 405 HE1 HIS 55 HE1 HIS 55 0.307 0.809 5.122 406 H GLU 56 HN GLU 56 1.714 -4.807 9.508 407 HA GLU 56 HA GLU 56 1.861 -4.304 12.188 408 HB2 GLU 56 HB2 GLU 56 1.089 -6.578 10.454 409 HB3 GLU 56 HB3 GLU 56 1.599 -7.069 12.057 410 HG2 GLU 56 HG2 GLU 56 0.009 -5.304 13.009 411 HG3 GLU 56 HG3 GLU 56 -0.589 -5.050 11.381 412 HE2 GLU 56 HE2 GLU 56 -1.939 -6.628 10.566 413 H GLU 57 HN GLU 57 3.943 -6.448 10.139 414 HA GLU 57 HA GLU 57 5.431 -7.657 11.974 415 HB2 GLU 57 HB2 GLU 57 6.166 -6.445 9.300 416 HB3 GLU 57 HB3 GLU 57 7.398 -7.245 10.257 417 HG2 GLU 57 HG2 GLU 57 6.011 -8.651 8.513 418 HG3 GLU 57 HG3 GLU 57 6.378 -9.352 10.076 419 HE2 GLU 57 HE2 GLU 57 2.742 -8.149 9.019 420 H MET 58 HN MET 58 5.655 -4.211 10.995 421 HA MET 58 HA MET 58 7.839 -3.868 12.867 422 HB2 MET 58 HB2 MET 58 6.526 -2.011 10.807 423 HB3 MET 58 HB3 MET 58 7.854 -1.515 11.836 424 HG2 MET 58 HG2 MET 58 8.533 -4.043 10.563 425 HG3 MET 58 HG3 MET 58 8.005 -2.907 9.337 426 HE1 MET 58 HE1 MET 58 10.452 -3.161 8.369 427 HE2 MET 58 HE2 MET 58 9.725 -1.549 8.165 428 HE3 MET 58 HE3 MET 58 11.434 -1.702 8.639 429 H LYS 59 HN LYS 59 4.396 -3.518 12.608 430 HA LYS 59 HA LYS 59 2.870 -2.788 14.030 431 HB2 LYS 59 HB2 LYS 59 5.172 -2.384 15.964 432 HB3 LYS 59 HB3 LYS 59 3.471 -2.335 16.382 433 HG2 LYS 59 HG2 LYS 59 4.806 -4.749 15.073 434 HG3 LYS 59 HG3 LYS 59 4.626 -4.572 16.807 435 HD2 LYS 59 HD2 LYS 59 2.050 -4.086 16.058 436 HD3 LYS 59 HD3 LYS 59 2.535 -5.114 14.724 437 HE2 LYS 59 HE2 LYS 59 2.842 -6.986 16.083 438 HE3 LYS 59 HE3 LYS 59 3.296 -6.036 17.484 439 HZ1 LYS 59 HZ1 LYS 59 0.945 -7.131 17.370 440 HZ2 LYS 59 HZ2 LYS 59 1.084 -5.641 18.010 441 H LYS 60 HN LYS 60 3.494 -1.106 12.025 442 HA LYS 60 HA LYS 60 2.922 1.429 13.205 443 HB2 LYS 60 HB2 LYS 60 5.666 0.828 12.211 444 HB3 LYS 60 HB3 LYS 60 4.974 2.366 11.737 445 HG2 LYS 60 HG2 LYS 60 4.351 2.018 14.513 446 HG3 LYS 60 HG3 LYS 60 6.035 1.572 14.322 447 HD2 LYS 60 HD2 LYS 60 6.585 3.716 13.320 448 HD3 LYS 60 HD3 LYS 60 4.894 4.143 13.146 449 HE2 LYS 60 HE2 LYS 60 5.747 3.486 15.934 450 HE3 LYS 60 HE3 LYS 60 6.476 4.929 15.259 451 HZ1 LYS 60 HZ1 LYS 60 3.964 5.358 14.556 452 HZ2 LYS 60 HZ2 LYS 60 3.661 4.426 15.857 453 H GLY 61 HN GLY 61 1.427 2.362 11.914 454 HA2 GLY 61 HA1 GLY 61 1.047 3.169 9.619 455 HA3 GLY 61 HA2 GLY 61 1.417 1.548 9.068 456 HA PRO 62 HA PRO 62 -3.212 2.174 9.866 457 HB2 PRO 62 HB2 PRO 62 -3.994 1.698 7.268 458 HB3 PRO 62 HB3 PRO 62 -3.505 3.318 7.864 459 HG2 PRO 62 HG2 PRO 62 -1.846 1.369 6.412 460 HG3 PRO 62 HG3 PRO 62 -2.010 3.118 6.047 461 HD2 PRO 62 HD2 PRO 62 0.096 2.214 7.479 462 HD3 PRO 62 HD3 PRO 62 -0.748 3.703 8.003 463 H THR 63 HN THR 63 -3.189 0.192 11.113 464 HA THR 63 HA THR 63 -3.106 -2.251 9.474 465 HB THR 63 HB THR 63 -2.732 -3.250 11.872 466 HG1 THR 63 HG1 THR 63 -3.268 -1.388 13.102 467 HG21 THR 63 HG21 THR 63 -0.764 -1.435 10.420 468 HG22 THR 63 HG22 THR 63 -0.312 -2.217 11.954 469 HG23 THR 63 HG23 THR 63 -0.747 -3.211 10.543 470 H LYS 64 HN LYS 64 -5.295 -0.053 10.589 471 HA LYS 64 HA LYS 64 -7.237 -2.157 11.243 472 HB2 LYS 64 HB2 LYS 64 -7.322 0.791 11.952 473 HB3 LYS 64 HB3 LYS 64 -8.509 -0.416 12.402 474 HG2 LYS 64 HG2 LYS 64 -5.570 -0.726 13.137 475 HG3 LYS 64 HG3 LYS 64 -6.674 0.183 14.149 476 HD2 LYS 64 HD2 LYS 64 -8.068 -2.209 13.616 477 HD3 LYS 64 HD3 LYS 64 -6.409 -2.732 13.831 478 HE2 LYS 64 HE2 LYS 64 -6.419 -2.256 16.072 479 HE3 LYS 64 HE3 LYS 64 -7.234 -0.722 15.840 480 HZ1 LYS 64 HZ1 LYS 64 -8.375 -3.139 16.685 481 HZ2 LYS 64 HZ2 LYS 64 -9.127 -1.707 16.491 482 H CYS 65 HN CYS 65 -9.532 -1.623 10.470 483 HA CYS 65 HA CYS 65 -9.329 -1.066 7.670 484 HB2 CYS 65 HB2 CYS 65 -12.000 -1.406 8.884 485 HB3 CYS 65 HB3 CYS 65 -11.306 -2.132 7.448 486 H GLY 66 HN GLY 66 -9.613 0.772 10.506 487 HA2 GLY 66 HA1 GLY 66 -11.365 2.803 9.312 488 HA3 GLY 66 HA2 GLY 66 -10.845 2.705 10.983 489 H GLU 67 HN GLU 67 -8.162 1.950 9.061 490 HA GLU 67 HA GLU 67 -7.290 4.726 9.224 491 HB2 GLU 67 HB2 GLU 67 -6.151 2.544 10.424 492 HB3 GLU 67 HB3 GLU 67 -5.259 2.559 8.916 493 HG2 GLU 67 HG2 GLU 67 -5.395 4.708 11.051 494 HG3 GLU 67 HG3 GLU 67 -3.976 3.954 10.351 495 HE2 GLU 67 HE2 GLU 67 -5.727 7.000 8.427 496 H CYS 68 HN CYS 68 -7.274 1.723 7.227 497 HA CYS 68 HA CYS 68 -6.065 3.136 5.030 498 HB2 CYS 68 HB2 CYS 68 -6.680 0.315 5.690 499 HB3 CYS 68 HB3 CYS 68 -6.840 0.727 3.994 500 H HIS 69 HN HIS 69 -9.197 1.457 5.817 501 HA HIS 69 HA HIS 69 -10.407 2.688 3.498 502 HB2 HIS 69 HB2 HIS 69 -11.478 0.732 5.549 503 HB3 HIS 69 HB3 HIS 69 -12.387 1.325 4.173 504 HD1 HIS 69 HD1 HIS 69 -11.108 0.817 1.729 505 HD2 HIS 69 HD2 HIS 69 -10.099 -1.569 5.028 506 HE1 HIS 69 HE1 HIS 69 -10.029 -1.293 0.782 507 H LYS 70 HN LYS 70 -10.213 4.928 4.197 508 HA LYS 70 HA LYS 70 -12.522 5.821 5.520 509 HB2 LYS 70 HB2 LYS 70 -11.145 4.965 7.479 510 HB3 LYS 70 HB3 LYS 70 -9.998 6.245 7.136 511 HG2 LYS 70 HG2 LYS 70 -11.567 7.965 7.639 512 HG3 LYS 70 HG3 LYS 70 -12.945 6.901 7.439 513 HD2 LYS 70 HD2 LYS 70 -11.441 5.675 9.484 514 HD3 LYS 70 HD3 LYS 70 -11.297 7.387 9.829 515 HE2 LYS 70 HE2 LYS 70 -13.281 6.750 10.972 516 HE3 LYS 70 HE3 LYS 70 -13.874 7.510 9.508 517 HZ1 LYS 70 HZ1 LYS 70 -13.394 4.620 9.417 518 HZ2 LYS 70 HZ2 LYS 70 -14.709 5.131 10.231 519 H LYS 71 HN LYS 71 -12.320 6.686 3.253 520 HA LYS 71 HA LYS 71 -10.393 8.265 2.272 521 HB2 LYS 71 HB2 LYS 71 -11.920 8.810 0.716 522 HB3 LYS 71 HB3 LYS 71 -12.936 7.655 1.554 523 HG2 LYS 71 HG2 LYS 71 -13.870 9.509 2.963 524 HG3 LYS 71 HG3 LYS 71 -12.865 10.660 2.105 525 HD2 LYS 71 HD2 LYS 71 -14.095 10.464 0.105 526 HD3 LYS 71 HD3 LYS 71 -14.674 8.856 0.492 527 HE2 LYS 71 HE2 LYS 71 -16.599 10.164 0.850 528 HE3 LYS 71 HE3 LYS 71 -15.952 10.025 2.472 529 HZ1 LYS 71 HZ1 LYS 71 -15.143 12.301 0.778 530 HZ2 LYS 71 HZ2 LYS 71 -16.558 12.358 1.583 Start of MODEL 12 1 H1 ALA 1 HN ALA 1 1.194 16.281 -6.734 2 HA ALA 1 HA ALA 1 0.133 15.054 -5.212 3 HB1 ALA 1 HB1 ALA 1 -1.816 15.320 -6.991 4 HB2 ALA 1 HB2 ALA 1 -1.512 13.587 -7.260 5 HB3 ALA 1 HB3 ALA 1 -1.969 14.170 -5.642 6 H ASP 2 HN ASP 2 2.542 14.260 -5.544 7 HA ASP 2 HA ASP 2 3.200 12.019 -6.852 8 HB2 ASP 2 HB2 ASP 2 4.068 12.483 -3.973 9 HB3 ASP 2 HB3 ASP 2 5.002 11.758 -5.267 10 HD2 ASP 2 HD2 ASP 2 5.768 13.834 -3.670 11 H ASP 3 HN ASP 3 1.040 12.411 -4.104 12 HA ASP 3 HA ASP 3 1.273 9.907 -2.959 13 HB2 ASP 3 HB2 ASP 3 -0.022 12.063 -2.201 14 HB3 ASP 3 HB3 ASP 3 -1.343 11.443 -3.171 15 HD2 ASP 3 HD2 ASP 3 0.468 10.880 -0.301 16 H ILE 4 HN ILE 4 -1.151 8.590 -2.958 17 HA ILE 4 HA ILE 4 -2.154 8.353 -5.649 18 HB ILE 4 HB ILE 4 -0.493 6.203 -4.355 19 HG12 ILE 4 HG12 ILE 4 -0.348 7.835 -6.866 20 HG13 ILE 4 HG13 ILE 4 0.906 7.464 -5.700 21 HG21 ILE 4 HG21 ILE 4 -2.708 5.288 -5.064 22 HG22 ILE 4 HG22 ILE 4 -2.340 5.817 -6.722 23 HG23 ILE 4 HG23 ILE 4 -1.314 4.599 -5.929 24 HD11 ILE 4 HD11 ILE 4 0.703 5.005 -6.452 25 HD12 ILE 4 HD12 ILE 4 -0.282 5.614 -7.804 26 HD13 ILE 4 HD13 ILE 4 1.410 6.137 -7.630 27 H VAL 5 HN VAL 5 -4.293 7.774 -5.621 28 HA VAL 5 HA VAL 5 -5.306 6.809 -3.036 29 HB VAL 5 HB VAL 5 -6.785 8.581 -4.980 30 HG11 VAL 5 HG11 VAL 5 -8.500 8.573 -3.507 31 HG12 VAL 5 HG12 VAL 5 -7.756 7.057 -2.942 32 HG13 VAL 5 HG13 VAL 5 -7.424 8.584 -2.089 33 HG21 VAL 5 HG21 VAL 5 -4.594 9.304 -3.273 34 HG22 VAL 5 HG22 VAL 5 -5.591 10.343 -4.319 35 HG23 VAL 5 HG23 VAL 5 -6.087 10.036 -2.638 36 H PHE 6 HN PHE 6 -6.688 5.048 -3.079 37 HA PHE 6 HA PHE 6 -7.206 3.969 -5.761 38 HB2 PHE 6 HB2 PHE 6 -6.719 2.678 -3.010 39 HB3 PHE 6 HB3 PHE 6 -7.198 1.754 -4.420 40 HD1 PHE 6 HD1 PHE 6 -5.642 1.575 -6.361 41 HD2 PHE 6 HD2 PHE 6 -4.461 3.370 -2.702 42 HE1 PHE 6 HE1 PHE 6 -3.232 1.324 -7.016 43 HE2 PHE 6 HE2 PHE 6 -2.051 3.119 -3.357 44 HZ PHE 6 HZ PHE 6 -1.465 2.099 -5.506 45 H LYS 7 HN LYS 7 -9.302 4.674 -6.160 46 HA LYS 7 HA LYS 7 -11.287 5.147 -4.401 47 HB2 LYS 7 HB2 LYS 7 -11.131 4.381 -7.252 48 HB3 LYS 7 HB3 LYS 7 -12.682 4.078 -6.496 49 HG2 LYS 7 HG2 LYS 7 -11.599 6.693 -5.697 50 HG3 LYS 7 HG3 LYS 7 -11.724 6.561 -7.440 51 HD2 LYS 7 HD2 LYS 7 -14.137 5.589 -6.940 52 HD3 LYS 7 HD3 LYS 7 -13.928 6.338 -5.369 53 HE2 LYS 7 HE2 LYS 7 -14.708 8.243 -6.350 54 HE3 LYS 7 HE3 LYS 7 -13.116 8.380 -7.071 55 HZ1 LYS 7 HZ1 LYS 7 -14.443 6.631 -8.713 56 HZ2 LYS 7 HZ2 LYS 7 -15.592 7.726 -8.347 57 H ALA 8 HN ALA 8 -12.417 4.016 -2.911 58 HA ALA 8 HA ALA 8 -12.584 1.112 -3.298 59 HB1 ALA 8 HB1 ALA 8 -11.084 2.516 -1.304 60 HB2 ALA 8 HB2 ALA 8 -12.476 1.750 -0.501 61 HB3 ALA 8 HB3 ALA 8 -11.347 0.762 -1.458 62 H LYS 9 HN LYS 9 -14.528 0.148 -2.509 63 HA LYS 9 HA LYS 9 -16.705 2.039 -2.379 64 HB2 LYS 9 HB2 LYS 9 -16.927 -0.967 -2.231 65 HB3 LYS 9 HB3 LYS 9 -18.118 0.192 -2.786 66 HG2 LYS 9 HG2 LYS 9 -16.188 0.812 -4.554 67 HG3 LYS 9 HG3 LYS 9 -15.647 -0.816 -4.195 68 HD2 LYS 9 HD2 LYS 9 -18.535 -0.204 -4.952 69 HD3 LYS 9 HD3 LYS 9 -17.310 -0.541 -6.159 70 HE2 LYS 9 HE2 LYS 9 -16.813 -2.724 -4.893 71 HE3 LYS 9 HE3 LYS 9 -18.233 -2.398 -3.920 72 HZ1 LYS 9 HZ1 LYS 9 -18.818 -3.790 -5.803 73 HZ2 LYS 9 HZ2 LYS 9 -19.545 -2.346 -6.003 74 H ASN 10 HN ASN 10 -14.511 1.367 -0.172 75 HA ASN 10 HA ASN 10 -16.500 1.378 1.936 76 HB2 ASN 10 HB2 ASN 10 -14.717 -0.812 1.393 77 HB3 ASN 10 HB3 ASN 10 -14.101 -0.021 2.831 78 HD21 ASN 10 HD21 ASN 10 -14.801 -2.320 3.479 79 HD22 ASN 10 HD22 ASN 10 -16.375 -2.475 4.186 80 H GLY 11 HN GLY 11 -14.522 3.257 0.416 81 HA2 GLY 11 HA1 GLY 11 -13.818 5.264 1.597 82 HA3 GLY 11 HA2 GLY 11 -13.073 4.235 2.804 83 H ASP 12 HN ASP 12 -12.131 6.312 0.595 84 HA ASP 12 HA ASP 12 -10.583 4.932 -1.213 85 HB2 ASP 12 HB2 ASP 12 -10.813 7.682 -0.171 86 HB3 ASP 12 HB3 ASP 12 -9.163 7.294 -0.617 87 HD2 ASP 12 HD2 ASP 12 -9.668 6.972 -3.901 88 H VAL 13 HN VAL 13 -8.464 4.049 -1.074 89 HA VAL 13 HA VAL 13 -7.298 4.060 1.613 90 HB VAL 13 HB VAL 13 -7.199 2.162 -0.719 91 HG11 VAL 13 HG11 VAL 13 -5.023 1.807 -0.251 92 HG12 VAL 13 HG12 VAL 13 -5.120 2.642 1.317 93 HG13 VAL 13 HG13 VAL 13 -5.641 0.946 1.179 94 HG21 VAL 13 HG21 VAL 13 -8.898 1.336 0.515 95 HG22 VAL 13 HG22 VAL 13 -7.600 0.690 1.548 96 HG23 VAL 13 HG23 VAL 13 -8.402 2.220 1.978 97 H LYS 14 HN LYS 14 -5.929 5.788 1.791 98 HA LYS 14 HA LYS 14 -4.468 6.722 -0.477 99 HB2 LYS 14 HB2 LYS 14 -5.270 7.738 2.030 100 HB3 LYS 14 HB3 LYS 14 -3.519 7.734 2.062 101 HG2 LYS 14 HG2 LYS 14 -4.070 8.665 -0.514 102 HG3 LYS 14 HG3 LYS 14 -5.367 9.373 0.428 103 HD2 LYS 14 HD2 LYS 14 -2.956 9.663 1.967 104 HD3 LYS 14 HD3 LYS 14 -2.577 10.149 0.326 105 HE2 LYS 14 HE2 LYS 14 -5.067 11.344 0.736 106 HE3 LYS 14 HE3 LYS 14 -4.332 11.465 2.322 107 HZ1 LYS 14 HZ1 LYS 14 -2.423 12.146 0.343 108 HZ2 LYS 14 HZ2 LYS 14 -3.763 13.043 0.111 109 H PHE 15 HN PHE 15 -2.185 6.645 -0.808 110 HA PHE 15 HA PHE 15 -0.664 4.929 0.953 111 HB2 PHE 15 HB2 PHE 15 -1.840 3.470 -0.792 112 HB3 PHE 15 HB3 PHE 15 -1.092 4.428 -2.055 113 HD1 PHE 15 HD2 PHE 15 0.737 3.544 1.000 114 HD2 PHE 15 HD1 PHE 15 0.007 2.528 -3.055 115 HE1 PHE 15 HE2 PHE 15 2.729 2.018 1.024 116 HE2 PHE 15 HE1 PHE 15 2.000 1.002 -3.031 117 HZ PHE 15 HZ PHE 15 3.337 0.765 -0.992 118 HA PRO 16 HA PRO 16 1.967 8.348 -0.260 119 HB2 PRO 16 HB2 PRO 16 3.737 7.123 1.807 120 HB3 PRO 16 HB3 PRO 16 2.984 8.750 1.735 121 HG2 PRO 16 HG2 PRO 16 2.142 6.828 3.515 122 HG3 PRO 16 HG3 PRO 16 1.159 8.136 2.780 123 HD2 PRO 16 HD2 PRO 16 1.413 5.190 2.010 124 HD3 PRO 16 HD3 PRO 16 -0.057 6.207 2.099 125 H HIS 17 HN HIS 17 2.636 7.622 -2.372 126 HA HIS 17 HA HIS 17 4.218 5.289 -2.624 127 HB2 HIS 17 HB2 HIS 17 2.677 6.271 -4.362 128 HB3 HIS 17 HB3 HIS 17 3.855 7.543 -4.614 129 HD1 HIS 17 HD1 HIS 17 5.726 7.068 -6.239 130 HD2 HIS 17 HD2 HIS 17 3.738 3.585 -5.008 131 HE1 HIS 17 HE1 HIS 17 6.659 5.169 -7.666 132 H LYS 18 HN LYS 18 4.951 8.830 -3.027 133 HA LYS 18 HA LYS 18 7.696 8.476 -3.299 134 HB2 LYS 18 HB2 LYS 18 6.358 10.507 -3.906 135 HB3 LYS 18 HB3 LYS 18 6.237 10.895 -2.202 136 HG2 LYS 18 HG2 LYS 18 8.281 11.868 -2.262 137 HG3 LYS 18 HG3 LYS 18 9.006 10.344 -2.735 138 HD2 LYS 18 HD2 LYS 18 8.391 10.847 -5.139 139 HD3 LYS 18 HD3 LYS 18 7.784 12.409 -4.627 140 HE2 LYS 18 HE2 LYS 18 10.065 12.964 -3.703 141 HE3 LYS 18 HE3 LYS 18 10.658 11.424 -4.293 142 HZ1 LYS 18 HZ1 LYS 18 11.147 12.977 -5.983 143 HZ2 LYS 18 HZ2 LYS 18 9.830 12.214 -6.560 144 H ALA 19 HN ALA 19 5.624 9.027 -0.395 145 HA ALA 19 HA ALA 19 7.682 9.295 1.445 146 HB1 ALA 19 HB1 ALA 19 5.402 7.876 2.539 147 HB2 ALA 19 HB2 ALA 19 5.901 9.566 2.788 148 HB3 ALA 19 HB3 ALA 19 4.855 9.140 1.412 149 H HIS 20 HN HIS 20 5.972 6.357 0.206 150 HA HIS 20 HA HIS 20 7.437 4.607 1.866 151 HB2 HIS 20 HB2 HIS 20 5.548 4.348 -0.437 152 HB3 HIS 20 HB3 HIS 20 6.547 2.964 -0.038 153 HD1 HIS 20 HD1 HIS 20 3.936 5.249 1.543 154 HD2 HIS 20 HD2 HIS 20 5.702 1.493 2.149 155 HE1 HIS 20 HE1 HIS 20 2.613 4.131 3.417 156 H GLN 21 HN GLN 21 8.267 6.457 -0.896 157 HA GLN 21 HA GLN 21 10.132 4.541 -1.911 158 HB2 GLN 21 HB2 GLN 21 9.552 7.446 -2.621 159 HB3 GLN 21 HB3 GLN 21 10.776 6.490 -3.433 160 HG2 GLN 21 HG2 GLN 21 8.159 5.111 -3.242 161 HG3 GLN 21 HG3 GLN 21 8.081 6.613 -4.142 162 HE21 GLN 21 HE21 GLN 21 7.912 5.905 -6.166 163 HE22 GLN 21 HE22 GLN 21 9.073 4.929 -7.003 164 H LYS 22 HN LYS 22 10.023 6.758 0.682 165 HA LYS 22 HA LYS 22 12.938 7.082 0.629 166 HB2 LYS 22 HB2 LYS 22 10.966 8.990 0.944 167 HB3 LYS 22 HB3 LYS 22 11.421 8.647 2.600 168 HG2 LYS 22 HG2 LYS 22 13.891 8.753 1.270 169 HG3 LYS 22 HG3 LYS 22 12.959 10.009 0.480 170 HD2 LYS 22 HD2 LYS 22 12.309 10.515 3.098 171 HD3 LYS 22 HD3 LYS 22 13.916 9.850 3.309 172 HE2 LYS 22 HE2 LYS 22 14.940 11.663 2.336 173 HE3 LYS 22 HE3 LYS 22 13.727 11.805 1.080 174 HZ1 LYS 22 HZ1 LYS 22 12.851 12.496 3.774 175 HZ2 LYS 22 HZ2 LYS 22 13.901 13.533 3.086 176 H ALA 23 HN ALA 23 10.250 5.444 2.103 177 HA ALA 23 HA ALA 23 11.720 4.913 4.547 178 HB1 ALA 23 HB1 ALA 23 9.557 3.468 4.896 179 HB2 ALA 23 HB2 ALA 23 9.443 5.243 4.969 180 HB3 ALA 23 HB3 ALA 23 8.940 4.379 3.496 181 H VAL 24 HN VAL 24 10.450 3.185 1.628 182 HA VAL 24 HA VAL 24 12.203 0.947 2.365 183 HB VAL 24 HB VAL 24 9.742 1.022 0.607 184 HG11 VAL 24 HG11 VAL 24 11.812 -1.053 1.135 185 HG12 VAL 24 HG12 VAL 24 10.116 -1.594 1.112 186 HG13 VAL 24 HG13 VAL 24 10.807 -0.771 -0.307 187 HG21 VAL 24 HG21 VAL 24 9.902 -0.516 3.175 188 HG22 VAL 24 HG22 VAL 24 9.615 1.239 3.242 189 HG23 VAL 24 HG23 VAL 24 8.491 0.187 2.348 190 HA PRO 25 HA PRO 25 14.727 2.790 -0.852 191 HB2 PRO 25 HB2 PRO 25 16.348 0.358 -0.113 192 HB3 PRO 25 HB3 PRO 25 16.811 2.089 -0.205 193 HG2 PRO 25 HG2 PRO 25 16.440 0.909 2.267 194 HG3 PRO 25 HG3 PRO 25 16.066 2.571 1.704 195 HD2 PRO 25 HD2 PRO 25 14.222 0.140 2.012 196 HD3 PRO 25 HD3 PRO 25 13.962 1.818 2.578 197 H ASP 26 HN ASP 26 14.928 -0.856 -0.649 198 HA ASP 26 HA ASP 26 14.975 -1.135 -3.381 199 HB2 ASP 26 HB2 ASP 26 15.610 -2.868 -1.650 200 HB3 ASP 26 HB3 ASP 26 13.908 -3.115 -1.314 201 HD2 ASP 26 HD2 ASP 26 12.833 -4.661 -3.068 202 H CYS 27 HN CYS 27 13.317 -1.081 -4.926 203 HA CYS 27 HA CYS 27 10.625 -0.716 -3.915 204 HB2 CYS 27 HB2 CYS 27 11.736 -0.398 -6.711 205 HB3 CYS 27 HB3 CYS 27 10.093 -0.036 -6.220 206 H LYS 28 HN LYS 28 12.758 -3.073 -5.395 207 HA LYS 28 HA LYS 28 11.060 -4.617 -6.876 208 HB2 LYS 28 HB2 LYS 28 13.430 -5.332 -5.141 209 HB3 LYS 28 HB3 LYS 28 12.602 -6.521 -6.126 210 HG2 LYS 28 HG2 LYS 28 13.225 -4.024 -7.597 211 HG3 LYS 28 HG3 LYS 28 14.653 -4.841 -6.994 212 HD2 LYS 28 HD2 LYS 28 14.054 -6.910 -8.135 213 HD3 LYS 28 HD3 LYS 28 12.465 -6.295 -8.544 214 HE2 LYS 28 HE2 LYS 28 15.053 -5.005 -9.526 215 HE3 LYS 28 HE3 LYS 28 14.186 -6.225 -10.438 216 HZ1 LYS 28 HZ1 LYS 28 13.614 -3.482 -10.293 217 HZ2 LYS 28 HZ2 LYS 28 12.836 -4.609 -11.173 218 H LYS 29 HN LYS 29 11.041 -4.002 -3.430 219 HA LYS 29 HA LYS 29 9.744 -6.358 -2.618 220 HB2 LYS 29 HB2 LYS 29 10.051 -3.595 -1.448 221 HB3 LYS 29 HB3 LYS 29 9.046 -4.798 -0.666 222 HG2 LYS 29 HG2 LYS 29 11.895 -5.455 -1.500 223 HG3 LYS 29 HG3 LYS 29 11.570 -4.643 0.019 224 HD2 LYS 29 HD2 LYS 29 9.720 -6.783 -0.042 225 HD3 LYS 29 HD3 LYS 29 11.197 -7.467 -0.691 226 HE2 LYS 29 HE2 LYS 29 12.060 -7.595 1.402 227 HE3 LYS 29 HE3 LYS 29 11.966 -5.852 1.550 228 HZ1 LYS 29 HZ1 LYS 29 10.613 -7.357 3.172 229 HZ2 LYS 29 HZ2 LYS 29 9.923 -5.990 2.618 230 H CYS 30 HN CYS 30 8.679 -3.423 -4.267 231 HA CYS 30 HA CYS 30 5.921 -4.368 -3.972 232 HB2 CYS 30 HB2 CYS 30 6.968 -1.563 -4.458 233 HB3 CYS 30 HB3 CYS 30 5.278 -2.009 -4.582 234 H HIS 31 HN HIS 31 8.554 -3.234 -6.129 235 HA HIS 31 HA HIS 31 6.914 -4.081 -8.406 236 HB2 HIS 31 HB2 HIS 31 9.179 -2.068 -8.328 237 HB3 HIS 31 HB3 HIS 31 8.322 -2.573 -9.770 238 HD1 HIS 31 HD1 HIS 31 5.451 -2.286 -9.268 239 HD2 HIS 31 HD2 HIS 31 8.209 0.329 -7.491 240 HE1 HIS 31 HE1 HIS 31 4.144 -0.186 -8.644 241 H GLU 32 HN GLU 32 7.733 -6.280 -7.469 242 HA GLU 32 HA GLU 32 10.452 -6.865 -7.769 243 HB2 GLU 32 HB2 GLU 32 9.630 -9.272 -7.630 244 HB3 GLU 32 HB3 GLU 32 9.150 -8.239 -6.298 245 HG2 GLU 32 HG2 GLU 32 6.976 -8.705 -6.726 246 HG3 GLU 32 HG3 GLU 32 7.126 -7.947 -8.299 247 HE2 GLU 32 HE2 GLU 32 8.314 -9.542 -9.878 248 H LYS 33 HN LYS 33 7.603 -7.029 -9.928 249 HA LYS 33 HA LYS 33 9.210 -8.306 -11.989 250 HB2 LYS 33 HB2 LYS 33 7.190 -8.742 -13.109 251 HB3 LYS 33 HB3 LYS 33 6.841 -9.020 -11.415 252 HG2 LYS 33 HG2 LYS 33 5.246 -7.406 -11.408 253 HG3 LYS 33 HG3 LYS 33 6.373 -6.217 -12.033 254 HD2 LYS 33 HD2 LYS 33 5.923 -6.873 -14.334 255 HD3 LYS 33 HD3 LYS 33 5.023 -8.287 -13.821 256 HE2 LYS 33 HE2 LYS 33 4.211 -5.377 -13.360 257 HE3 LYS 33 HE3 LYS 33 3.472 -6.485 -14.499 258 HZ1 LYS 33 HZ1 LYS 33 2.683 -6.153 -11.916 259 HZ2 LYS 33 HZ2 LYS 33 2.274 -7.425 -12.847 260 H GLY 34 HN GLY 34 9.719 -5.519 -10.905 261 HA2 GLY 34 HA1 GLY 34 10.710 -3.780 -12.067 262 HA3 GLY 34 HA2 GLY 34 9.831 -4.220 -13.518 263 HA PRO 35 HA PRO 35 8.020 -0.569 -10.856 264 HB2 PRO 35 HB2 PRO 35 8.556 1.305 -12.886 265 HB3 PRO 35 HB3 PRO 35 9.575 1.010 -11.440 266 HG2 PRO 35 HG2 PRO 35 9.811 -0.190 -14.171 267 HG3 PRO 35 HG3 PRO 35 11.274 0.450 -13.354 268 HD2 PRO 35 HD2 PRO 35 10.932 -2.128 -13.175 269 HD3 PRO 35 HD3 PRO 35 11.037 -1.282 -11.601 270 H GLY 36 HN GLY 36 5.926 0.407 -11.404 271 HA2 GLY 36 HA1 GLY 36 4.442 0.885 -13.345 272 HA3 GLY 36 HA2 GLY 36 4.762 -0.758 -13.864 273 H LYS 37 HN LYS 37 2.234 -0.639 -13.679 274 HA LYS 37 HA LYS 37 1.112 -0.662 -11.089 275 HB2 LYS 37 HB2 LYS 37 -0.910 -0.982 -12.158 276 HB3 LYS 37 HB3 LYS 37 0.029 -0.180 -13.400 277 HG2 LYS 37 HG2 LYS 37 -0.225 -3.215 -13.180 278 HG3 LYS 37 HG3 LYS 37 -1.264 -2.230 -14.191 279 HD2 LYS 37 HD2 LYS 37 0.751 -1.382 -15.422 280 HD3 LYS 37 HD3 LYS 37 1.780 -2.385 -14.420 281 HE2 LYS 37 HE2 LYS 37 0.030 -4.293 -15.280 282 HE3 LYS 37 HE3 LYS 37 -0.083 -3.187 -16.634 283 HZ1 LYS 37 HZ1 LYS 37 2.371 -4.501 -15.618 284 HZ2 LYS 37 HZ2 LYS 37 1.716 -4.642 -17.102 285 H ILE 38 HN ILE 38 -0.213 -2.679 -10.329 286 HA ILE 38 HA ILE 38 1.508 -5.036 -10.670 287 HB ILE 38 HB ILE 38 0.126 -4.109 -8.149 288 HG12 ILE 38 HG12 ILE 38 3.105 -4.273 -8.485 289 HG13 ILE 38 HG13 ILE 38 2.252 -2.866 -9.089 290 HG21 ILE 38 HG21 ILE 38 0.217 -6.288 -7.644 291 HG22 ILE 38 HG22 ILE 38 1.355 -6.652 -8.964 292 HG23 ILE 38 HG23 ILE 38 1.960 -6.003 -7.420 293 HD11 ILE 38 HD11 ILE 38 1.226 -3.478 -6.456 294 HD12 ILE 38 HD12 ILE 38 3.004 -3.435 -6.387 295 HD13 ILE 38 HD13 ILE 38 2.103 -2.026 -6.995 296 H GLU 39 HN GLU 39 0.202 -5.919 -12.328 297 HA GLU 39 HA GLU 39 -2.563 -6.022 -12.151 298 HB2 GLU 39 HB2 GLU 39 -1.340 -6.326 -14.265 299 HB3 GLU 39 HB3 GLU 39 -0.602 -7.799 -13.667 300 HG2 GLU 39 HG2 GLU 39 -3.364 -8.221 -13.276 301 HG3 GLU 39 HG3 GLU 39 -3.279 -7.393 -14.819 302 HE2 GLU 39 HE2 GLU 39 -2.181 -11.144 -14.462 303 H GLY 40 HN GLY 40 -3.528 -6.881 -10.328 304 HA2 GLY 40 HA1 GLY 40 -4.258 -9.247 -9.765 305 HA3 GLY 40 HA2 GLY 40 -2.564 -9.516 -9.407 306 H PHE 41 HN PHE 41 -2.691 -6.389 -8.603 307 HA PHE 41 HA PHE 41 -2.613 -6.776 -5.888 308 HB2 PHE 41 HB2 PHE 41 -1.796 -4.778 -7.181 309 HB3 PHE 41 HB3 PHE 41 -3.444 -4.364 -7.609 310 HD1 PHE 41 HD2 PHE 41 -1.204 -4.769 -4.667 311 HD2 PHE 41 HD1 PHE 41 -4.673 -2.914 -6.258 312 HE1 PHE 41 HE2 PHE 41 -1.376 -3.332 -2.616 313 HE2 PHE 41 HE1 PHE 41 -4.845 -1.477 -4.207 314 HZ PHE 41 HZ PHE 41 -3.194 -1.702 -2.411 315 H GLY 42 HN GLY 42 -4.125 -5.593 -4.252 316 HA2 GLY 42 HA1 GLY 42 -6.576 -4.845 -4.253 317 HA3 GLY 42 HA2 GLY 42 -6.876 -6.465 -4.849 318 H LYS 43 HN LYS 43 -8.153 -5.990 -2.563 319 HA LYS 43 HA LYS 43 -7.106 -6.004 -0.147 320 HB2 LYS 43 HB2 LYS 43 -8.909 -7.917 0.305 321 HB3 LYS 43 HB3 LYS 43 -9.356 -6.259 -0.043 322 HG2 LYS 43 HG2 LYS 43 -10.241 -6.789 -2.090 323 HG3 LYS 43 HG3 LYS 43 -8.928 -7.880 -2.487 324 HD2 LYS 43 HD2 LYS 43 -11.055 -9.126 -2.279 325 HD3 LYS 43 HD3 LYS 43 -9.918 -9.645 -1.051 326 HE2 LYS 43 HE2 LYS 43 -11.690 -7.372 -0.255 327 HE3 LYS 43 HE3 LYS 43 -12.513 -8.895 -0.528 328 HZ1 LYS 43 HZ1 LYS 43 -10.955 -8.180 1.690 329 HZ2 LYS 43 HZ2 LYS 43 -11.738 -9.587 1.447 330 H GLU 44 HN GLU 44 -6.898 -8.738 -2.464 331 HA GLU 44 HA GLU 44 -6.073 -10.754 -0.994 332 HB2 GLU 44 HB2 GLU 44 -5.815 -9.990 -3.693 333 HB3 GLU 44 HB3 GLU 44 -4.178 -10.382 -3.206 334 HG2 GLU 44 HG2 GLU 44 -4.943 -12.590 -2.345 335 HG3 GLU 44 HG3 GLU 44 -6.597 -12.199 -2.773 336 HE2 GLU 44 HE2 GLU 44 -6.234 -14.174 -4.157 337 H MET 45 HN MET 45 -3.501 -8.652 -2.465 338 HA MET 45 HA MET 45 -1.708 -9.433 -0.412 339 HB2 MET 45 HB2 MET 45 -1.495 -8.519 -3.032 340 HB3 MET 45 HB3 MET 45 -1.051 -7.076 -2.143 341 HG2 MET 45 HG2 MET 45 0.573 -8.596 -0.793 342 HG3 MET 45 HG3 MET 45 0.280 -9.815 -2.018 343 HE1 MET 45 HE1 MET 45 0.337 -9.388 -4.428 344 HE2 MET 45 HE2 MET 45 0.060 -7.671 -4.807 345 HE3 MET 45 HE3 MET 45 1.608 -8.438 -5.234 346 H ALA 46 HN ALA 46 -3.519 -6.438 -1.297 347 HA ALA 46 HA ALA 46 -2.401 -4.632 0.387 348 HB1 ALA 46 HB1 ALA 46 -4.494 -3.456 0.249 349 HB2 ALA 46 HB2 ALA 46 -4.287 -4.332 -1.287 350 HB3 ALA 46 HB3 ALA 46 -5.392 -4.965 -0.043 351 H HIS 47 HN HIS 47 -4.222 -7.531 1.199 352 HA HIS 47 HA HIS 47 -4.427 -6.610 3.962 353 HB2 HIS 47 HB2 HIS 47 -5.760 -8.926 2.533 354 HB3 HIS 47 HB3 HIS 47 -5.946 -8.568 4.238 355 HD1 HIS 47 HD1 HIS 47 -8.347 -8.546 2.207 356 HD2 HIS 47 HD2 HIS 47 -6.214 -5.158 3.458 357 HE1 HIS 47 HE1 HIS 47 -9.900 -6.552 1.853 358 H GLY 48 HN GLY 48 -3.505 -9.547 2.024 359 HA2 GLY 48 HA1 GLY 48 -2.248 -10.923 4.095 360 HA3 GLY 48 HA2 GLY 48 -1.943 -11.120 2.380 361 H LYS 49 HN LYS 49 0.317 -11.303 2.442 362 HA LYS 49 HA LYS 49 1.847 -9.375 3.922 363 HB2 LYS 49 HB2 LYS 49 2.363 -11.890 2.426 364 HB3 LYS 49 HB3 LYS 49 3.678 -10.733 2.466 365 HG2 LYS 49 HG2 LYS 49 3.146 -10.587 5.052 366 HG3 LYS 49 HG3 LYS 49 2.301 -12.101 4.798 367 HD2 LYS 49 HD2 LYS 49 4.247 -13.292 4.406 368 HD3 LYS 49 HD3 LYS 49 5.037 -11.952 3.599 369 HE2 LYS 49 HE2 LYS 49 6.263 -11.889 5.553 370 HE3 LYS 49 HE3 LYS 49 4.927 -10.892 6.092 371 HZ1 LYS 49 HZ1 LYS 49 4.230 -12.513 7.492 372 HZ2 LYS 49 HZ2 LYS 49 4.452 -13.721 6.423 373 H GLY 50 HN GLY 50 0.313 -7.817 2.394 374 HA2 GLY 50 HA1 GLY 50 1.955 -7.143 0.030 375 HA3 GLY 50 HA2 GLY 50 0.244 -6.808 0.210 376 H CYS 51 HN CYS 51 -0.271 -5.500 2.399 377 HA CYS 51 HA CYS 51 1.731 -3.362 2.525 378 HB2 CYS 51 HB2 CYS 51 -1.250 -3.031 2.889 379 HB3 CYS 51 HB3 CYS 51 -0.038 -1.767 2.839 380 H LYS 52 HN LYS 52 -0.999 -5.042 4.245 381 HA LYS 52 HA LYS 52 -0.354 -4.043 6.779 382 HB2 LYS 52 HB2 LYS 52 -1.742 -6.674 6.267 383 HB3 LYS 52 HB3 LYS 52 -1.974 -5.555 7.595 384 HG2 LYS 52 HG2 LYS 52 -2.542 -3.905 5.472 385 HG3 LYS 52 HG3 LYS 52 -3.051 -5.444 4.808 386 HD2 LYS 52 HD2 LYS 52 -3.969 -4.318 7.497 387 HD3 LYS 52 HD3 LYS 52 -4.901 -4.249 6.015 388 HE2 LYS 52 HE2 LYS 52 -5.801 -6.211 6.819 389 HE3 LYS 52 HE3 LYS 52 -4.393 -6.921 6.055 390 HZ1 LYS 52 HZ1 LYS 52 -5.013 -6.933 8.778 391 HZ2 LYS 52 HZ2 LYS 52 -3.688 -7.565 8.072 392 H GLY 53 HN GLY 53 0.998 -6.619 4.784 393 HA2 GLY 53 HA1 GLY 53 2.203 -8.141 6.835 394 HA3 GLY 53 HA2 GLY 53 2.651 -8.103 5.141 395 H CYS 54 HN CYS 54 3.310 -5.330 4.835 396 HA CYS 54 HA CYS 54 5.845 -5.362 6.220 397 HB2 CYS 54 HB2 CYS 54 5.321 -4.813 3.663 398 HB3 CYS 54 HB3 CYS 54 5.099 -3.193 4.294 399 H HIS 55 HN HIS 55 3.048 -4.756 7.445 400 HA HIS 55 HA HIS 55 3.764 -2.114 8.492 401 HB2 HIS 55 HB2 HIS 55 1.079 -3.289 7.793 402 HB3 HIS 55 HB3 HIS 55 1.215 -2.009 8.982 403 HD1 HIS 55 HD1 HIS 55 -0.373 -1.087 6.742 404 HD2 HIS 55 HD2 HIS 55 3.815 -1.053 6.506 405 HE1 HIS 55 HE1 HIS 55 0.226 0.586 4.911 406 H GLU 56 HN GLU 56 1.579 -4.889 9.366 407 HA GLU 56 HA GLU 56 1.757 -4.536 12.051 408 HB2 GLU 56 HB2 GLU 56 0.950 -6.692 10.213 409 HB3 GLU 56 HB3 GLU 56 1.543 -7.314 11.740 410 HG2 GLU 56 HG2 GLU 56 -0.008 -5.599 12.893 411 HG3 GLU 56 HG3 GLU 56 -0.721 -5.316 11.317 412 HE2 GLU 56 HE2 GLU 56 -2.463 -8.039 11.055 413 H GLU 57 HN GLU 57 3.907 -6.455 9.875 414 HA GLU 57 HA GLU 57 5.391 -7.801 11.624 415 HB2 GLU 57 HB2 GLU 57 5.896 -6.536 8.985 416 HB3 GLU 57 HB3 GLU 57 7.350 -6.882 9.899 417 HG2 GLU 57 HG2 GLU 57 5.784 -9.197 10.244 418 HG3 GLU 57 HG3 GLU 57 5.490 -8.745 8.576 419 HE2 GLU 57 HE2 GLU 57 6.796 -10.438 7.811 420 H MET 58 HN MET 58 5.660 -4.286 10.866 421 HA MET 58 HA MET 58 7.702 -4.083 12.918 422 HB2 MET 58 HB2 MET 58 6.642 -2.078 10.848 423 HB3 MET 58 HB3 MET 58 7.943 -1.730 11.969 424 HG2 MET 58 HG2 MET 58 8.586 -4.220 10.672 425 HG3 MET 58 HG3 MET 58 8.083 -3.101 9.421 426 HE1 MET 58 HE1 MET 58 10.754 -1.217 8.577 427 HE2 MET 58 HE2 MET 58 11.305 -2.908 8.631 428 HE3 MET 58 HE3 MET 58 9.613 -2.537 8.224 429 H LYS 59 HN LYS 59 4.317 -3.737 12.456 430 HA LYS 59 HA LYS 59 2.697 -2.993 13.758 431 HB2 LYS 59 HB2 LYS 59 4.842 -2.544 15.855 432 HB3 LYS 59 HB3 LYS 59 3.113 -2.576 16.139 433 HG2 LYS 59 HG2 LYS 59 4.600 -4.920 14.877 434 HG3 LYS 59 HG3 LYS 59 4.398 -4.764 16.611 435 HD2 LYS 59 HD2 LYS 59 1.809 -4.360 15.805 436 HD3 LYS 59 HD3 LYS 59 2.363 -5.403 14.509 437 HE2 LYS 59 HE2 LYS 59 1.958 -7.149 15.912 438 HE3 LYS 59 HE3 LYS 59 3.400 -6.662 16.781 439 HZ1 LYS 59 HZ1 LYS 59 2.050 -5.321 18.249 440 HZ2 LYS 59 HZ2 LYS 59 0.699 -5.579 17.378 441 H LYS 60 HN LYS 60 3.564 -1.306 11.793 442 HA LYS 60 HA LYS 60 2.942 1.245 12.984 443 HB2 LYS 60 HB2 LYS 60 5.628 0.639 11.769 444 HB3 LYS 60 HB3 LYS 60 4.939 2.243 11.618 445 HG2 LYS 60 HG2 LYS 60 4.498 1.737 14.300 446 HG3 LYS 60 HG3 LYS 60 5.988 0.853 14.036 447 HD2 LYS 60 HD2 LYS 60 7.154 2.793 14.094 448 HD3 LYS 60 HD3 LYS 60 6.287 3.358 12.680 449 HE2 LYS 60 HE2 LYS 60 4.360 3.922 14.422 450 HE3 LYS 60 HE3 LYS 60 5.651 3.841 15.604 451 HZ1 LYS 60 HZ1 LYS 60 6.221 5.423 13.224 452 HZ2 LYS 60 HZ2 LYS 60 5.107 6.051 14.231 453 H GLY 61 HN GLY 61 1.452 2.215 11.714 454 HA2 GLY 61 HA1 GLY 61 1.019 3.027 9.444 455 HA3 GLY 61 HA2 GLY 61 1.394 1.417 8.863 456 HA PRO 62 HA PRO 62 -3.231 1.982 9.680 457 HB2 PRO 62 HB2 PRO 62 -3.994 1.433 7.082 458 HB3 PRO 62 HB3 PRO 62 -3.560 3.074 7.661 459 HG2 PRO 62 HG2 PRO 62 -1.886 1.143 6.245 460 HG3 PRO 62 HG3 PRO 62 -2.045 2.886 5.849 461 HD2 PRO 62 HD2 PRO 62 0.067 2.008 7.282 462 HD3 PRO 62 HD3 PRO 62 -0.775 3.503 7.792 463 H THR 63 HN THR 63 -3.315 0.041 10.944 464 HA THR 63 HA THR 63 -3.145 -2.441 9.368 465 HB THR 63 HB THR 63 -2.787 -3.392 11.781 466 HG1 THR 63 HG1 THR 63 -2.349 -1.742 13.302 467 HG21 THR 63 HG21 THR 63 -0.453 -3.068 11.661 468 HG22 THR 63 HG22 THR 63 -0.924 -2.735 9.977 469 HG23 THR 63 HG23 THR 63 -0.620 -1.387 11.099 470 H LYS 64 HN LYS 64 -5.331 -0.224 10.622 471 HA LYS 64 HA LYS 64 -7.281 -2.343 11.181 472 HB2 LYS 64 HB2 LYS 64 -7.362 0.593 11.941 473 HB3 LYS 64 HB3 LYS 64 -8.556 -0.616 12.364 474 HG2 LYS 64 HG2 LYS 64 -5.636 -1.029 13.091 475 HG3 LYS 64 HG3 LYS 64 -6.664 -0.027 14.097 476 HD2 LYS 64 HD2 LYS 64 -8.224 -2.327 13.647 477 HD3 LYS 64 HD3 LYS 64 -6.601 -2.962 13.831 478 HE2 LYS 64 HE2 LYS 64 -6.542 -2.481 16.064 479 HE3 LYS 64 HE3 LYS 64 -7.190 -0.871 15.825 480 HZ1 LYS 64 HZ1 LYS 64 -9.264 -1.600 16.292 481 HZ2 LYS 64 HZ2 LYS 64 -9.142 -2.941 15.377 482 H CYS 65 HN CYS 65 -9.586 -1.766 10.432 483 HA CYS 65 HA CYS 65 -9.389 -1.200 7.636 484 HB2 CYS 65 HB2 CYS 65 -12.056 -1.499 8.881 485 HB3 CYS 65 HB3 CYS 65 -11.400 -2.211 7.420 486 H GLY 66 HN GLY 66 -9.626 0.634 10.480 487 HA2 GLY 66 HA1 GLY 66 -11.359 2.696 9.319 488 HA3 GLY 66 HA2 GLY 66 -10.794 2.594 10.974 489 H GLU 67 HN GLU 67 -8.153 1.785 9.050 490 HA GLU 67 HA GLU 67 -7.228 4.542 9.184 491 HB2 GLU 67 HB2 GLU 67 -6.091 2.367 10.333 492 HB3 GLU 67 HB3 GLU 67 -5.304 2.277 8.770 493 HG2 GLU 67 HG2 GLU 67 -3.851 3.869 9.470 494 HG3 GLU 67 HG3 GLU 67 -5.174 5.017 9.472 495 HE2 GLU 67 HE2 GLU 67 -5.420 5.925 11.393 496 H CYS 68 HN CYS 68 -7.309 1.573 7.127 497 HA CYS 68 HA CYS 68 -6.208 3.046 4.909 498 HB2 CYS 68 HB2 CYS 68 -6.776 0.193 5.518 499 HB3 CYS 68 HB3 CYS 68 -6.930 0.660 3.836 500 H HIS 69 HN HIS 69 -9.257 1.246 5.759 501 HA HIS 69 HA HIS 69 -10.592 2.497 3.526 502 HB2 HIS 69 HB2 HIS 69 -11.547 0.491 5.589 503 HB3 HIS 69 HB3 HIS 69 -12.505 1.071 4.241 504 HD1 HIS 69 HD1 HIS 69 -11.276 0.613 1.761 505 HD2 HIS 69 HD2 HIS 69 -10.128 -1.772 5.015 506 HE1 HIS 69 HE1 HIS 69 -10.170 -1.462 0.771 507 H LYS 70 HN LYS 70 -10.171 4.708 4.495 508 HA LYS 70 HA LYS 70 -12.535 5.536 5.860 509 HB2 LYS 70 HB2 LYS 70 -11.076 4.676 7.730 510 HB3 LYS 70 HB3 LYS 70 -9.915 5.926 7.331 511 HG2 LYS 70 HG2 LYS 70 -12.267 7.390 7.457 512 HG3 LYS 70 HG3 LYS 70 -12.562 6.160 8.670 513 HD2 LYS 70 HD2 LYS 70 -11.365 7.508 10.070 514 HD3 LYS 70 HD3 LYS 70 -9.952 6.863 9.257 515 HE2 LYS 70 HE2 LYS 70 -9.462 8.908 8.405 516 HE3 LYS 70 HE3 LYS 70 -11.025 8.988 7.617 517 HZ1 LYS 70 HZ1 LYS 70 -10.765 10.796 9.214 518 HZ2 LYS 70 HZ2 LYS 70 -11.967 9.821 9.718 519 H LYS 71 HN LYS 71 -12.447 6.428 3.579 520 HA LYS 71 HA LYS 71 -10.593 8.102 2.581 521 HB2 LYS 71 HB2 LYS 71 -12.158 8.543 1.038 522 HB3 LYS 71 HB3 LYS 71 -13.130 7.371 1.904 523 HG2 LYS 71 HG2 LYS 71 -14.096 9.221 3.301 524 HG3 LYS 71 HG3 LYS 71 -13.143 10.386 2.403 525 HD2 LYS 71 HD2 LYS 71 -14.734 8.573 0.671 526 HD3 LYS 71 HD3 LYS 71 -15.716 9.558 1.737 527 HE2 LYS 71 HE2 LYS 71 -15.458 11.255 0.247 528 HE3 LYS 71 HE3 LYS 71 -13.791 11.368 0.774 529 HZ1 LYS 71 HZ1 LYS 71 -13.511 9.410 -0.949 530 HZ2 LYS 71 HZ2 LYS 71 -14.855 10.045 -1.615 Start of MODEL 13 1 H1 ALA 1 HN ALA 1 -0.446 15.669 -8.713 2 HA ALA 1 HA ALA 1 0.916 15.440 -6.929 3 HB1 ALA 1 HB1 ALA 1 -0.391 14.883 -5.084 4 HB2 ALA 1 HB2 ALA 1 -1.638 15.143 -6.327 5 HB3 ALA 1 HB3 ALA 1 -1.137 13.489 -5.900 6 H ASP 2 HN ASP 2 2.174 13.960 -5.435 7 HA ASP 2 HA ASP 2 3.217 11.848 -7.037 8 HB2 ASP 2 HB2 ASP 2 3.970 12.488 -4.159 9 HB3 ASP 2 HB3 ASP 2 4.969 11.724 -5.380 10 HD2 ASP 2 HD2 ASP 2 4.363 15.680 -5.584 11 H ASP 3 HN ASP 3 0.986 12.325 -4.347 12 HA ASP 3 HA ASP 3 1.242 9.868 -3.103 13 HB2 ASP 3 HB2 ASP 3 -0.085 12.028 -2.431 14 HB3 ASP 3 HB3 ASP 3 -1.387 11.368 -3.401 15 HD2 ASP 3 HD2 ASP 3 -0.160 9.639 -0.035 16 H ILE 4 HN ILE 4 -1.158 8.515 -3.078 17 HA ILE 4 HA ILE 4 -2.148 8.173 -5.760 18 HB ILE 4 HB ILE 4 -0.463 6.075 -4.405 19 HG12 ILE 4 HG12 ILE 4 -0.294 7.635 -6.973 20 HG13 ILE 4 HG13 ILE 4 0.919 7.419 -5.727 21 HG21 ILE 4 HG21 ILE 4 -2.884 5.576 -5.697 22 HG22 ILE 4 HG22 ILE 4 -1.640 5.246 -6.926 23 HG23 ILE 4 HG23 ILE 4 -1.584 4.408 -5.357 24 HD11 ILE 4 HD11 ILE 4 1.754 5.873 -7.211 25 HD12 ILE 4 HD12 ILE 4 0.551 4.810 -6.442 26 HD13 ILE 4 HD13 ILE 4 0.172 5.613 -7.985 27 H VAL 5 HN VAL 5 -4.274 7.552 -5.711 28 HA VAL 5 HA VAL 5 -5.262 6.641 -3.096 29 HB VAL 5 HB VAL 5 -6.825 8.268 -5.094 30 HG11 VAL 5 HG11 VAL 5 -7.319 8.373 -2.159 31 HG12 VAL 5 HG12 VAL 5 -8.466 8.384 -3.520 32 HG13 VAL 5 HG13 VAL 5 -7.728 6.853 -2.990 33 HG21 VAL 5 HG21 VAL 5 -4.646 9.154 -3.368 34 HG22 VAL 5 HG22 VAL 5 -5.523 10.031 -4.645 35 HG23 VAL 5 HG23 VAL 5 -6.178 9.979 -2.991 36 H PHE 6 HN PHE 6 -6.605 4.848 -3.076 37 HA PHE 6 HA PHE 6 -7.108 3.668 -5.719 38 HB2 PHE 6 HB2 PHE 6 -6.499 2.477 -2.948 39 HB3 PHE 6 HB3 PHE 6 -6.998 1.491 -4.309 40 HD1 PHE 6 HD2 PHE 6 -5.505 1.278 -6.290 41 HD2 PHE 6 HD1 PHE 6 -4.257 3.265 -2.754 42 HE1 PHE 6 HE2 PHE 6 -3.113 1.079 -7.022 43 HE2 PHE 6 HE1 PHE 6 -1.864 3.065 -3.487 44 HZ PHE 6 HZ PHE 6 -1.321 1.975 -5.612 45 H LYS 7 HN LYS 7 -9.244 4.053 -6.168 46 HA LYS 7 HA LYS 7 -11.235 4.631 -4.442 47 HB2 LYS 7 HB2 LYS 7 -11.137 3.358 -7.146 48 HB3 LYS 7 HB3 LYS 7 -12.668 3.358 -6.295 49 HG2 LYS 7 HG2 LYS 7 -11.733 5.969 -5.895 50 HG3 LYS 7 HG3 LYS 7 -11.207 5.613 -7.528 51 HD2 LYS 7 HD2 LYS 7 -13.343 5.619 -8.354 52 HD3 LYS 7 HD3 LYS 7 -13.973 4.705 -6.997 53 HE2 LYS 7 HE2 LYS 7 -13.278 7.679 -6.879 54 HE3 LYS 7 HE3 LYS 7 -14.893 7.059 -7.161 55 HZ1 LYS 7 HZ1 LYS 7 -13.818 7.509 -4.708 56 HZ2 LYS 7 HZ2 LYS 7 -15.118 6.567 -4.979 57 H ALA 8 HN ALA 8 -12.484 3.603 -2.939 58 HA ALA 8 HA ALA 8 -12.374 0.679 -2.895 59 HB1 ALA 8 HB1 ALA 8 -10.964 2.395 -1.117 60 HB2 ALA 8 HB2 ALA 8 -12.343 1.734 -0.207 61 HB3 ALA 8 HB3 ALA 8 -11.184 0.634 -0.992 62 H LYS 9 HN LYS 9 -14.234 -0.301 -1.870 63 HA LYS 9 HA LYS 9 -16.553 1.415 -2.070 64 HB2 LYS 9 HB2 LYS 9 -16.620 -1.516 -1.394 65 HB3 LYS 9 HB3 LYS 9 -17.809 -0.547 -2.241 66 HG2 LYS 9 HG2 LYS 9 -15.727 -0.203 -3.948 67 HG3 LYS 9 HG3 LYS 9 -15.249 -1.746 -3.269 68 HD2 LYS 9 HD2 LYS 9 -17.887 -2.273 -3.733 69 HD3 LYS 9 HD3 LYS 9 -17.619 -1.073 -4.981 70 HE2 LYS 9 HE2 LYS 9 -15.365 -2.876 -5.003 71 HE3 LYS 9 HE3 LYS 9 -16.823 -3.848 -4.970 72 HZ1 LYS 9 HZ1 LYS 9 -17.643 -2.521 -6.877 73 HZ2 LYS 9 HZ2 LYS 9 -16.243 -1.692 -6.930 74 H ASN 10 HN ASN 10 -14.350 1.339 0.201 75 HA ASN 10 HA ASN 10 -16.339 1.594 2.276 76 HB2 ASN 10 HB2 ASN 10 -14.539 0.418 3.836 77 HB3 ASN 10 HB3 ASN 10 -15.646 -0.573 2.906 78 HD21 ASN 10 HD21 ASN 10 -13.810 -2.083 3.397 79 HD22 ASN 10 HD22 ASN 10 -12.538 -2.219 2.230 80 H GLY 11 HN GLY 11 -14.490 3.306 0.522 81 HA2 GLY 11 HA1 GLY 11 -13.770 5.450 1.344 82 HA3 GLY 11 HA2 GLY 11 -13.032 4.647 2.716 83 H ASP 12 HN ASP 12 -12.090 6.336 0.190 84 HA ASP 12 HA ASP 12 -10.524 4.753 -1.383 85 HB2 ASP 12 HB2 ASP 12 -10.778 7.583 -0.726 86 HB3 ASP 12 HB3 ASP 12 -9.084 7.179 -0.918 87 HD2 ASP 12 HD2 ASP 12 -11.266 7.804 -4.047 88 H VAL 13 HN VAL 13 -8.377 3.913 -1.163 89 HA VAL 13 HA VAL 13 -7.283 4.093 1.547 90 HB VAL 13 HB VAL 13 -7.181 2.065 -0.659 91 HG11 VAL 13 HG11 VAL 13 -4.839 2.413 -0.061 92 HG12 VAL 13 HG12 VAL 13 -5.231 2.228 1.666 93 HG13 VAL 13 HG13 VAL 13 -5.411 0.845 0.559 94 HG21 VAL 13 HG21 VAL 13 -7.748 1.905 2.321 95 HG22 VAL 13 HG22 VAL 13 -8.946 1.850 1.006 96 HG23 VAL 13 HG23 VAL 13 -7.768 0.529 1.192 97 H LYS 14 HN LYS 14 -5.962 5.868 1.654 98 HA LYS 14 HA LYS 14 -4.433 6.683 -0.612 99 HB2 LYS 14 HB2 LYS 14 -5.328 7.830 1.808 100 HB3 LYS 14 HB3 LYS 14 -3.578 7.857 1.890 101 HG2 LYS 14 HG2 LYS 14 -4.057 8.629 -0.749 102 HG3 LYS 14 HG3 LYS 14 -5.403 9.361 0.102 103 HD2 LYS 14 HD2 LYS 14 -2.707 9.648 1.390 104 HD3 LYS 14 HD3 LYS 14 -2.951 10.536 -0.101 105 HE2 LYS 14 HE2 LYS 14 -4.087 12.120 1.056 106 HE3 LYS 14 HE3 LYS 14 -5.328 10.938 1.422 107 HZ1 LYS 14 HZ1 LYS 14 -4.349 11.880 3.449 108 HZ2 LYS 14 HZ2 LYS 14 -4.053 10.280 3.389 109 H PHE 15 HN PHE 15 -2.167 6.560 -0.917 110 HA PHE 15 HA PHE 15 -0.683 4.968 1.002 111 HB2 PHE 15 HB2 PHE 15 -1.726 3.395 -0.689 112 HB3 PHE 15 HB3 PHE 15 -1.054 4.355 -1.992 113 HD1 PHE 15 HD2 PHE 15 0.648 3.346 1.151 114 HD2 PHE 15 HD1 PHE 15 0.360 2.818 -3.050 115 HE1 PHE 15 HE2 PHE 15 2.727 1.940 1.185 116 HE2 PHE 15 HE1 PHE 15 2.438 1.412 -3.016 117 HZ PHE 15 HZ PHE 15 3.597 0.989 -0.898 118 HA PRO 16 HA PRO 16 1.961 8.385 -0.174 119 HB2 PRO 16 HB2 PRO 16 3.696 7.132 1.916 120 HB3 PRO 16 HB3 PRO 16 2.982 8.775 1.825 121 HG2 PRO 16 HG2 PRO 16 2.080 6.898 3.589 122 HG3 PRO 16 HG3 PRO 16 1.115 8.208 2.834 123 HD2 PRO 16 HD2 PRO 16 1.332 5.250 2.113 124 HD3 PRO 16 HD3 PRO 16 -0.116 6.301 2.140 125 H HIS 17 HN HIS 17 2.635 7.647 -2.288 126 HA HIS 17 HA HIS 17 4.269 5.337 -2.500 127 HB2 HIS 17 HB2 HIS 17 2.673 6.266 -4.241 128 HB3 HIS 17 HB3 HIS 17 3.857 7.518 -4.556 129 HD1 HIS 17 HD1 HIS 17 5.794 6.944 -6.096 130 HD2 HIS 17 HD2 HIS 17 3.614 3.571 -4.886 131 HE1 HIS 17 HE1 HIS 17 6.670 4.991 -7.485 132 H LYS 18 HN LYS 18 4.874 8.897 -2.939 133 HA LYS 18 HA LYS 18 7.634 8.619 -3.248 134 HB2 LYS 18 HB2 LYS 18 6.226 10.591 -3.895 135 HB3 LYS 18 HB3 LYS 18 6.106 11.018 -2.200 136 HG2 LYS 18 HG2 LYS 18 8.032 12.191 -2.505 137 HG3 LYS 18 HG3 LYS 18 8.848 10.641 -2.507 138 HD2 LYS 18 HD2 LYS 18 7.738 11.052 -5.140 139 HD3 LYS 18 HD3 LYS 18 8.577 12.520 -4.679 140 HE2 LYS 18 HE2 LYS 18 10.657 11.491 -4.628 141 HE3 LYS 18 HE3 LYS 18 10.011 9.960 -4.070 142 HZ1 LYS 18 HZ1 LYS 18 10.428 10.846 -6.771 143 HZ2 LYS 18 HZ2 LYS 18 10.261 9.327 -6.209 144 H ALA 19 HN ALA 19 5.542 9.064 -0.353 145 HA ALA 19 HA ALA 19 7.601 9.486 1.475 146 HB1 ALA 19 HB1 ALA 19 5.342 7.979 2.547 147 HB2 ALA 19 HB2 ALA 19 5.840 9.658 2.868 148 HB3 ALA 19 HB3 ALA 19 4.802 9.288 1.469 149 H HIS 20 HN HIS 20 5.852 6.430 0.567 150 HA HIS 20 HA HIS 20 7.387 4.774 2.167 151 HB2 HIS 20 HB2 HIS 20 5.620 4.419 -0.217 152 HB3 HIS 20 HB3 HIS 20 6.649 3.077 0.243 153 HD1 HIS 20 HD1 HIS 20 3.880 5.276 1.669 154 HD2 HIS 20 HD2 HIS 20 5.766 1.604 2.416 155 HE1 HIS 20 HE1 HIS 20 2.517 4.132 3.497 156 H GLN 21 HN GLN 21 8.122 6.423 -0.835 157 HA GLN 21 HA GLN 21 10.144 4.623 -1.639 158 HB2 GLN 21 HB2 GLN 21 9.402 7.460 -2.437 159 HB3 GLN 21 HB3 GLN 21 10.801 6.655 -3.120 160 HG2 GLN 21 HG2 GLN 21 8.248 5.083 -3.131 161 HG3 GLN 21 HG3 GLN 21 8.295 6.478 -4.191 162 HE21 GLN 21 HE21 GLN 21 11.144 4.676 -3.241 163 HE22 GLN 21 HE22 GLN 21 11.504 3.959 -4.777 164 H LYS 22 HN LYS 22 9.889 6.891 0.901 165 HA LYS 22 HA LYS 22 12.784 7.344 0.918 166 HB2 LYS 22 HB2 LYS 22 10.736 9.146 1.199 167 HB3 LYS 22 HB3 LYS 22 11.099 8.777 2.873 168 HG2 LYS 22 HG2 LYS 22 13.643 9.030 1.718 169 HG3 LYS 22 HG3 LYS 22 12.710 10.260 0.889 170 HD2 LYS 22 HD2 LYS 22 12.474 10.021 3.898 171 HD3 LYS 22 HD3 LYS 22 13.890 10.797 3.217 172 HE2 LYS 22 HE2 LYS 22 12.652 12.575 2.293 173 HE3 LYS 22 HE3 LYS 22 11.173 11.640 2.198 174 HZ1 LYS 22 HZ1 LYS 22 12.355 12.360 4.816 175 HZ2 LYS 22 HZ2 LYS 22 11.321 13.359 4.052 176 H ALA 23 HN ALA 23 10.115 5.636 2.420 177 HA ALA 23 HA ALA 23 11.653 5.087 4.816 178 HB1 ALA 23 HB1 ALA 23 9.477 5.232 5.482 179 HB2 ALA 23 HB2 ALA 23 8.846 4.801 3.875 180 HB3 ALA 23 HB3 ALA 23 9.423 3.527 4.976 181 H VAL 24 HN VAL 24 10.270 3.338 1.955 182 HA VAL 24 HA VAL 24 11.921 1.040 2.675 183 HB VAL 24 HB VAL 24 9.709 1.383 0.641 184 HG11 VAL 24 HG11 VAL 24 9.813 -0.949 0.231 185 HG12 VAL 24 HG12 VAL 24 11.494 -0.371 0.145 186 HG13 VAL 24 HG13 VAL 24 10.919 -1.222 1.599 187 HG21 VAL 24 HG21 VAL 24 8.495 1.405 2.571 188 HG22 VAL 24 HG22 VAL 24 8.700 -0.357 2.418 189 HG23 VAL 24 HG23 VAL 24 9.757 0.571 3.509 190 HA PRO 25 HA PRO 25 14.776 2.153 -0.494 191 HB2 PRO 25 HB2 PRO 25 16.477 0.081 -0.255 192 HB3 PRO 25 HB3 PRO 25 16.214 1.197 1.125 193 HG2 PRO 25 HG2 PRO 25 14.859 -1.714 1.009 194 HG3 PRO 25 HG3 PRO 25 15.782 -0.562 2.029 195 HD2 PRO 25 HD2 PRO 25 12.882 -0.770 1.621 196 HD3 PRO 25 HD3 PRO 25 13.769 0.369 2.679 197 H ASP 26 HN ASP 26 15.294 -1.289 -0.956 198 HA ASP 26 HA ASP 26 15.000 -1.308 -3.576 199 HB2 ASP 26 HB2 ASP 26 15.747 -3.297 -2.464 200 HB3 ASP 26 HB3 ASP 26 14.277 -3.421 -1.518 201 HD2 ASP 26 HD2 ASP 26 15.064 -5.426 -4.501 202 H CYS 27 HN CYS 27 13.289 -1.275 -5.098 203 HA CYS 27 HA CYS 27 10.654 -0.819 -3.991 204 HB2 CYS 27 HB2 CYS 27 11.728 -0.531 -6.804 205 HB3 CYS 27 HB3 CYS 27 10.075 -0.190 -6.330 206 H LYS 28 HN LYS 28 12.625 -3.240 -5.630 207 HA LYS 28 HA LYS 28 10.804 -4.730 -6.991 208 HB2 LYS 28 HB2 LYS 28 13.190 -5.591 -5.337 209 HB3 LYS 28 HB3 LYS 28 12.299 -6.683 -6.377 210 HG2 LYS 28 HG2 LYS 28 12.769 -4.419 -8.000 211 HG3 LYS 28 HG3 LYS 28 14.258 -4.614 -7.098 212 HD2 LYS 28 HD2 LYS 28 14.844 -6.288 -8.509 213 HD3 LYS 28 HD3 LYS 28 13.524 -7.246 -7.867 214 HE2 LYS 28 HE2 LYS 28 11.993 -5.978 -9.541 215 HE3 LYS 28 HE3 LYS 28 13.467 -5.398 -10.290 216 HZ1 LYS 28 HZ1 LYS 28 14.001 -7.507 -11.022 217 HZ2 LYS 28 HZ2 LYS 28 13.234 -8.283 -9.814 218 H LYS 29 HN LYS 29 11.008 -4.152 -3.534 219 HA LYS 29 HA LYS 29 9.697 -6.430 -2.619 220 HB2 LYS 29 HB2 LYS 29 9.989 -3.618 -1.565 221 HB3 LYS 29 HB3 LYS 29 9.042 -4.815 -0.707 222 HG2 LYS 29 HG2 LYS 29 11.986 -5.068 -1.483 223 HG3 LYS 29 HG3 LYS 29 11.364 -4.801 0.134 224 HD2 LYS 29 HD2 LYS 29 9.963 -7.078 -0.684 225 HD3 LYS 29 HD3 LYS 29 11.534 -7.314 -1.423 226 HE2 LYS 29 HE2 LYS 29 12.616 -6.874 0.821 227 HE3 LYS 29 HE3 LYS 29 11.021 -6.747 1.536 228 HZ1 LYS 29 HZ1 LYS 29 12.458 -9.105 0.862 229 HZ2 LYS 29 HZ2 LYS 29 11.097 -8.971 1.746 230 H CYS 30 HN CYS 30 8.531 -3.459 -4.199 231 HA CYS 30 HA CYS 30 5.808 -4.495 -3.889 232 HB2 CYS 30 HB2 CYS 30 6.723 -1.650 -4.429 233 HB3 CYS 30 HB3 CYS 30 5.053 -2.177 -4.365 234 H HIS 31 HN HIS 31 8.406 -3.371 -6.068 235 HA HIS 31 HA HIS 31 6.706 -4.109 -8.337 236 HB2 HIS 31 HB2 HIS 31 9.042 -2.183 -8.207 237 HB3 HIS 31 HB3 HIS 31 8.229 -2.661 -9.684 238 HD1 HIS 31 HD1 HIS 31 5.418 -2.203 -9.495 239 HD2 HIS 31 HD2 HIS 31 8.033 0.133 -7.193 240 HE1 HIS 31 HE1 HIS 31 4.123 -0.099 -8.856 241 H GLU 32 HN GLU 32 7.445 -6.356 -7.409 242 HA GLU 32 HA GLU 32 10.082 -7.121 -7.654 243 HB2 GLU 32 HB2 GLU 32 9.110 -9.463 -7.786 244 HB3 GLU 32 HB3 GLU 32 8.551 -8.509 -6.427 245 HG2 GLU 32 HG2 GLU 32 6.441 -9.006 -7.113 246 HG3 GLU 32 HG3 GLU 32 6.699 -7.855 -8.410 247 HE2 GLU 32 HE2 GLU 32 5.146 -9.609 -9.359 248 H LYS 33 HN LYS 33 7.390 -7.029 -10.036 249 HA LYS 33 HA LYS 33 9.154 -8.135 -12.068 250 HB2 LYS 33 HB2 LYS 33 7.231 -8.503 -13.358 251 HB3 LYS 33 HB3 LYS 33 6.747 -8.892 -11.719 252 HG2 LYS 33 HG2 LYS 33 5.124 -7.310 -11.777 253 HG3 LYS 33 HG3 LYS 33 6.304 -6.064 -12.135 254 HD2 LYS 33 HD2 LYS 33 5.172 -5.890 -14.120 255 HD3 LYS 33 HD3 LYS 33 6.146 -7.269 -14.591 256 HE2 LYS 33 HE2 LYS 33 3.555 -7.777 -13.118 257 HE3 LYS 33 HE3 LYS 33 3.477 -7.325 -14.810 258 HZ1 LYS 33 HZ1 LYS 33 5.009 -9.191 -15.291 259 HZ2 LYS 33 HZ2 LYS 33 5.007 -9.629 -13.723 260 H GLY 34 HN GLY 34 9.899 -5.603 -10.893 261 HA2 GLY 34 HA1 GLY 34 10.816 -3.709 -11.744 262 HA3 GLY 34 HA2 GLY 34 10.117 -4.065 -13.312 263 HA PRO 35 HA PRO 35 8.012 -0.524 -10.744 264 HB2 PRO 35 HB2 PRO 35 8.643 1.354 -12.764 265 HB3 PRO 35 HB3 PRO 35 9.535 1.114 -11.226 266 HG2 PRO 35 HG2 PRO 35 10.107 -0.037 -13.911 267 HG3 PRO 35 HG3 PRO 35 11.393 0.633 -12.856 268 HD2 PRO 35 HD2 PRO 35 11.098 -1.991 -12.883 269 HD3 PRO 35 HD3 PRO 35 11.083 -1.207 -11.274 270 H GLY 36 HN GLY 36 6.039 0.672 -11.587 271 HA2 GLY 36 HA1 GLY 36 4.695 1.011 -13.629 272 HA3 GLY 36 HA2 GLY 36 4.981 -0.678 -14.000 273 H LYS 37 HN LYS 37 2.585 -0.883 -14.016 274 HA LYS 37 HA LYS 37 1.245 -0.544 -11.492 275 HB2 LYS 37 HB2 LYS 37 -0.713 -0.822 -12.669 276 HB3 LYS 37 HB3 LYS 37 0.332 -0.154 -13.906 277 HG2 LYS 37 HG2 LYS 37 -0.116 -3.147 -13.492 278 HG3 LYS 37 HG3 LYS 37 -1.004 -2.179 -14.652 279 HD2 LYS 37 HD2 LYS 37 1.225 -1.515 -15.697 280 HD3 LYS 37 HD3 LYS 37 2.013 -2.652 -14.620 281 HE2 LYS 37 HE2 LYS 37 0.081 -4.288 -15.653 282 HE3 LYS 37 HE3 LYS 37 0.269 -3.185 -17.001 283 HZ1 LYS 37 HZ1 LYS 37 1.842 -5.246 -16.764 284 HZ2 LYS 37 HZ2 LYS 37 2.453 -3.841 -17.317 285 H ILE 38 HN ILE 38 -0.104 -2.431 -10.612 286 HA ILE 38 HA ILE 38 1.524 -4.872 -10.785 287 HB ILE 38 HB ILE 38 0.073 -3.720 -8.400 288 HG12 ILE 38 HG12 ILE 38 3.048 -4.140 -8.655 289 HG13 ILE 38 HG13 ILE 38 2.295 -2.666 -9.230 290 HG21 ILE 38 HG21 ILE 38 1.317 -5.607 -7.208 291 HG22 ILE 38 HG22 ILE 38 -0.108 -6.050 -8.178 292 HG23 ILE 38 HG23 ILE 38 1.528 -6.331 -8.821 293 HD11 ILE 38 HD11 ILE 38 2.927 -3.437 -6.506 294 HD12 ILE 38 HD12 ILE 38 2.331 -1.873 -7.112 295 HD13 ILE 38 HD13 ILE 38 1.177 -3.149 -6.652 296 H GLU 39 HN GLU 39 0.249 -5.731 -12.506 297 HA GLU 39 HA GLU 39 -2.537 -5.797 -12.350 298 HB2 GLU 39 HB2 GLU 39 -0.557 -6.463 -14.237 299 HB3 GLU 39 HB3 GLU 39 -1.356 -7.988 -13.910 300 HG2 GLU 39 HG2 GLU 39 -3.593 -6.681 -14.212 301 HG3 GLU 39 HG3 GLU 39 -2.615 -5.401 -14.902 302 HE2 GLU 39 HE2 GLU 39 -4.113 -7.985 -16.956 303 H GLY 40 HN GLY 40 -3.471 -6.710 -10.533 304 HA2 GLY 40 HA1 GLY 40 -4.197 -9.107 -10.063 305 HA3 GLY 40 HA2 GLY 40 -2.502 -9.373 -9.709 306 H PHE 41 HN PHE 41 -2.638 -6.282 -8.800 307 HA PHE 41 HA PHE 41 -2.590 -6.769 -6.095 308 HB2 PHE 41 HB2 PHE 41 -1.717 -4.739 -7.277 309 HB3 PHE 41 HB3 PHE 41 -3.341 -4.296 -7.764 310 HD1 PHE 41 HD2 PHE 41 -4.970 -3.512 -6.042 311 HD2 PHE 41 HD1 PHE 41 -0.877 -4.157 -5.128 312 HE1 PHE 41 HE2 PHE 41 -5.216 -2.125 -3.964 313 HE2 PHE 41 HE1 PHE 41 -1.122 -2.771 -3.050 314 HZ PHE 41 HZ PHE 41 -3.289 -1.771 -2.493 315 H GLY 42 HN GLY 42 -4.083 -5.896 -4.378 316 HA2 GLY 42 HA1 GLY 42 -6.579 -5.036 -4.478 317 HA3 GLY 42 HA2 GLY 42 -6.820 -6.686 -5.016 318 H LYS 43 HN LYS 43 -8.084 -5.984 -2.701 319 HA LYS 43 HA LYS 43 -7.008 -5.957 -0.308 320 HB2 LYS 43 HB2 LYS 43 -8.868 -7.821 0.216 321 HB3 LYS 43 HB3 LYS 43 -9.250 -6.144 -0.119 322 HG2 LYS 43 HG2 LYS 43 -10.168 -6.619 -2.174 323 HG3 LYS 43 HG3 LYS 43 -8.953 -7.822 -2.557 324 HD2 LYS 43 HD2 LYS 43 -11.189 -8.868 -2.298 325 HD3 LYS 43 HD3 LYS 43 -10.069 -9.475 -1.095 326 HE2 LYS 43 HE2 LYS 43 -11.199 -7.215 0.146 327 HE3 LYS 43 HE3 LYS 43 -12.548 -7.921 -0.722 328 HZ1 LYS 43 HZ1 LYS 43 -11.299 -10.073 0.423 329 HZ2 LYS 43 HZ2 LYS 43 -11.192 -8.937 1.585 330 H GLU 44 HN GLU 44 -7.017 -8.848 -2.457 331 HA GLU 44 HA GLU 44 -6.188 -10.785 -0.895 332 HB2 GLU 44 HB2 GLU 44 -5.261 -9.974 -3.657 333 HB3 GLU 44 HB3 GLU 44 -4.556 -11.385 -2.894 334 HG2 GLU 44 HG2 GLU 44 -7.437 -11.473 -2.541 335 HG3 GLU 44 HG3 GLU 44 -7.084 -11.187 -4.234 336 HE2 GLU 44 HE2 GLU 44 -6.258 -14.411 -2.177 337 H MET 45 HN MET 45 -3.778 -8.556 -2.479 338 HA MET 45 HA MET 45 -1.804 -9.414 -0.600 339 HB2 MET 45 HB2 MET 45 -1.426 -8.846 -3.090 340 HB3 MET 45 HB3 MET 45 -1.681 -7.162 -2.679 341 HG2 MET 45 HG2 MET 45 0.429 -6.949 -1.839 342 HG3 MET 45 HG3 MET 45 0.261 -8.388 -0.853 343 HE1 MET 45 HE1 MET 45 2.368 -7.052 -3.909 344 HE2 MET 45 HE2 MET 45 1.666 -8.081 -5.181 345 HE3 MET 45 HE3 MET 45 0.627 -6.959 -4.269 346 H ALA 46 HN ALA 46 -3.683 -6.418 -1.339 347 HA ALA 46 HA ALA 46 -2.457 -4.658 0.346 348 HB1 ALA 46 HB1 ALA 46 -5.354 -4.402 0.463 349 HB2 ALA 46 HB2 ALA 46 -4.161 -3.375 -0.367 350 HB3 ALA 46 HB3 ALA 46 -4.819 -4.813 -1.184 351 H HIS 47 HN HIS 47 -4.288 -7.545 1.124 352 HA HIS 47 HA HIS 47 -4.479 -6.668 3.903 353 HB2 HIS 47 HB2 HIS 47 -5.822 -8.964 2.451 354 HB3 HIS 47 HB3 HIS 47 -6.005 -8.618 4.159 355 HD1 HIS 47 HD1 HIS 47 -8.409 -8.577 2.132 356 HD2 HIS 47 HD2 HIS 47 -6.266 -5.202 3.402 357 HE1 HIS 47 HE1 HIS 47 -9.957 -6.578 1.792 358 H GLY 48 HN GLY 48 -3.476 -9.489 1.849 359 HA2 GLY 48 HA1 GLY 48 -2.269 -10.977 3.875 360 HA3 GLY 48 HA2 GLY 48 -1.902 -11.061 2.163 361 H LYS 49 HN LYS 49 0.339 -11.123 2.151 362 HA LYS 49 HA LYS 49 1.787 -9.276 3.840 363 HB2 LYS 49 HB2 LYS 49 2.512 -11.622 3.621 364 HB3 LYS 49 HB3 LYS 49 2.754 -11.399 1.900 365 HG2 LYS 49 HG2 LYS 49 4.207 -9.275 2.913 366 HG3 LYS 49 HG3 LYS 49 4.423 -10.462 4.184 367 HD2 LYS 49 HD2 LYS 49 4.788 -11.316 1.302 368 HD3 LYS 49 HD3 LYS 49 6.067 -10.412 2.089 369 HE2 LYS 49 HE2 LYS 49 5.016 -12.611 3.771 370 HE3 LYS 49 HE3 LYS 49 5.686 -13.177 2.255 371 HZ1 LYS 49 HZ1 LYS 49 7.056 -11.831 4.457 372 HZ2 LYS 49 HZ2 LYS 49 7.593 -13.032 3.496 373 H GLY 50 HN GLY 50 0.195 -7.779 2.212 374 HA2 GLY 50 HA1 GLY 50 1.925 -6.952 -0.031 375 HA3 GLY 50 HA2 GLY 50 0.205 -6.652 0.116 376 H CYS 51 HN CYS 51 -0.366 -5.452 2.372 377 HA CYS 51 HA CYS 51 1.563 -3.254 2.570 378 HB2 CYS 51 HB2 CYS 51 -1.426 -3.075 2.986 379 HB3 CYS 51 HB3 CYS 51 -0.275 -1.754 3.010 380 H LYS 52 HN LYS 52 -1.142 -4.979 4.300 381 HA LYS 52 HA LYS 52 -0.391 -4.110 6.847 382 HB2 LYS 52 HB2 LYS 52 -1.852 -6.688 6.265 383 HB3 LYS 52 HB3 LYS 52 -2.012 -5.632 7.654 384 HG2 LYS 52 HG2 LYS 52 -2.690 -3.821 5.802 385 HG3 LYS 52 HG3 LYS 52 -3.055 -5.242 4.844 386 HD2 LYS 52 HD2 LYS 52 -5.040 -4.404 6.136 387 HD3 LYS 52 HD3 LYS 52 -4.631 -6.063 6.522 388 HE2 LYS 52 HE2 LYS 52 -3.191 -4.143 8.239 389 HE3 LYS 52 HE3 LYS 52 -4.929 -3.958 8.361 390 HZ1 LYS 52 HZ1 LYS 52 -5.152 -6.044 9.259 391 HZ2 LYS 52 HZ2 LYS 52 -3.903 -6.694 8.441 392 H GLY 53 HN GLY 53 0.999 -6.446 4.670 393 HA2 GLY 53 HA1 GLY 53 2.148 -8.215 6.545 394 HA3 GLY 53 HA2 GLY 53 2.663 -7.944 4.892 395 H CYS 54 HN CYS 54 3.597 -5.434 4.688 396 HA CYS 54 HA CYS 54 5.886 -5.515 6.429 397 HB2 CYS 54 HB2 CYS 54 6.064 -5.131 3.950 398 HB3 CYS 54 HB3 CYS 54 5.285 -3.577 4.172 399 H HIS 55 HN HIS 55 3.205 -4.923 7.574 400 HA HIS 55 HA HIS 55 3.754 -2.187 8.467 401 HB2 HIS 55 HB2 HIS 55 1.185 -3.480 7.627 402 HB3 HIS 55 HB3 HIS 55 1.141 -2.282 8.905 403 HD1 HIS 55 HD1 HIS 55 -0.360 -1.126 6.828 404 HD2 HIS 55 HD2 HIS 55 3.821 -1.159 6.485 405 HE1 HIS 55 HE1 HIS 55 0.230 0.660 5.104 406 H GLU 56 HN GLU 56 1.694 -5.040 9.400 407 HA GLU 56 HA GLU 56 1.782 -4.531 12.080 408 HB2 GLU 56 HB2 GLU 56 1.086 -6.812 10.333 409 HB3 GLU 56 HB3 GLU 56 1.614 -7.311 11.927 410 HG2 GLU 56 HG2 GLU 56 -0.024 -5.588 12.899 411 HG3 GLU 56 HG3 GLU 56 -0.644 -5.366 11.275 412 HE2 GLU 56 HE2 GLU 56 -2.303 -6.365 13.154 413 H GLU 57 HN GLU 57 3.970 -6.593 10.062 414 HA GLU 57 HA GLU 57 5.461 -7.720 11.990 415 HB2 GLU 57 HB2 GLU 57 7.073 -8.127 10.327 416 HB3 GLU 57 HB3 GLU 57 5.616 -7.862 9.390 417 HG2 GLU 57 HG2 GLU 57 6.262 -5.604 8.827 418 HG3 GLU 57 HG3 GLU 57 7.528 -5.583 10.038 419 HE2 GLU 57 HE2 GLU 57 8.378 -5.396 7.019 420 H MET 58 HN MET 58 5.409 -4.318 10.985 421 HA MET 58 HA MET 58 7.731 -3.807 12.648 422 HB2 MET 58 HB2 MET 58 6.161 -1.806 10.946 423 HB3 MET 58 HB3 MET 58 7.813 -1.649 11.509 424 HG2 MET 58 HG2 MET 58 8.332 -3.775 10.105 425 HG3 MET 58 HG3 MET 58 6.754 -3.553 9.376 426 HE1 MET 58 HE1 MET 58 10.092 -2.459 10.133 427 HE2 MET 58 HE2 MET 58 10.499 -2.502 8.400 428 HE3 MET 58 HE3 MET 58 10.424 -0.944 9.259 429 H LYS 59 HN LYS 59 4.252 -3.652 12.632 430 HA LYS 59 HA LYS 59 2.795 -3.005 14.160 431 HB2 LYS 59 HB2 LYS 59 4.902 -3.784 15.670 432 HB3 LYS 59 HB3 LYS 59 4.787 -2.110 16.175 433 HG2 LYS 59 HG2 LYS 59 3.325 -3.227 17.667 434 HG3 LYS 59 HG3 LYS 59 2.237 -2.551 16.472 435 HD2 LYS 59 HD2 LYS 59 1.416 -4.673 16.284 436 HD3 LYS 59 HD3 LYS 59 2.840 -4.987 15.311 437 HE2 LYS 59 HE2 LYS 59 4.081 -5.738 17.338 438 HE3 LYS 59 HE3 LYS 59 2.687 -5.380 18.339 439 HZ1 LYS 59 HZ1 LYS 59 1.631 -7.250 17.629 440 HZ2 LYS 59 HZ2 LYS 59 2.143 -7.130 16.088 441 H LYS 60 HN LYS 60 3.210 -1.288 12.123 442 HA LYS 60 HA LYS 60 2.509 1.191 13.307 443 HB2 LYS 60 HB2 LYS 60 5.317 0.765 12.570 444 HB3 LYS 60 HB3 LYS 60 4.603 2.149 11.768 445 HG2 LYS 60 HG2 LYS 60 3.652 2.753 14.150 446 HG3 LYS 60 HG3 LYS 60 4.853 1.626 14.749 447 HD2 LYS 60 HD2 LYS 60 6.663 2.950 14.040 448 HD3 LYS 60 HD3 LYS 60 5.739 3.728 12.771 449 HE2 LYS 60 HE2 LYS 60 4.904 4.185 15.640 450 HE3 LYS 60 HE3 LYS 60 6.324 5.020 15.043 451 HZ1 LYS 60 HZ1 LYS 60 3.572 5.508 14.405 452 HZ2 LYS 60 HZ2 LYS 60 4.855 6.489 14.200 453 H GLY 61 HN GLY 61 1.201 2.320 11.907 454 HA2 GLY 61 HA1 GLY 61 0.792 3.024 9.628 455 HA3 GLY 61 HA2 GLY 61 1.205 1.407 9.093 456 HA PRO 62 HA PRO 62 -3.449 1.924 9.771 457 HB2 PRO 62 HB2 PRO 62 -4.195 1.479 7.178 458 HB3 PRO 62 HB3 PRO 62 -3.667 3.092 7.760 459 HG2 PRO 62 HG2 PRO 62 -1.966 1.087 6.373 460 HG3 PRO 62 HG3 PRO 62 -2.141 2.819 5.941 461 HD2 PRO 62 HD2 PRO 62 -0.073 2.018 7.470 462 HD3 PRO 62 HD3 PRO 62 -0.976 3.491 7.936 463 H THR 63 HN THR 63 -3.493 -0.057 10.991 464 HA THR 63 HA THR 63 -3.295 -2.490 9.344 465 HB THR 63 HB THR 63 -2.989 -3.475 11.781 466 HG1 THR 63 HG1 THR 63 -2.064 -0.729 12.098 467 HG21 THR 63 HG21 THR 63 -1.048 -3.402 10.276 468 HG22 THR 63 HG22 THR 63 -0.916 -1.638 10.475 469 HG23 THR 63 HG23 THR 63 -0.557 -2.717 11.844 470 H LYS 64 HN LYS 64 -5.487 -0.339 10.786 471 HA LYS 64 HA LYS 64 -7.422 -2.483 11.255 472 HB2 LYS 64 HB2 LYS 64 -7.754 0.441 11.942 473 HB3 LYS 64 HB3 LYS 64 -8.656 -0.928 12.559 474 HG2 LYS 64 HG2 LYS 64 -7.190 -0.759 14.322 475 HG3 LYS 64 HG3 LYS 64 -6.150 -1.713 13.283 476 HD2 LYS 64 HD2 LYS 64 -4.886 0.184 12.587 477 HD3 LYS 64 HD3 LYS 64 -6.134 1.315 13.073 478 HE2 LYS 64 HE2 LYS 64 -5.608 0.121 15.490 479 HE3 LYS 64 HE3 LYS 64 -4.035 -0.026 14.732 480 HZ1 LYS 64 HZ1 LYS 64 -3.931 2.324 14.438 481 HZ2 LYS 64 HZ2 LYS 64 -5.501 2.550 14.804 482 H CYS 65 HN CYS 65 -9.705 -2.030 10.458 483 HA CYS 65 HA CYS 65 -9.511 -1.425 7.676 484 HB2 CYS 65 HB2 CYS 65 -12.169 -1.818 8.928 485 HB3 CYS 65 HB3 CYS 65 -11.510 -2.470 7.441 486 H GLY 66 HN GLY 66 -9.722 0.432 10.470 487 HA2 GLY 66 HA1 GLY 66 -11.514 2.447 9.286 488 HA3 GLY 66 HA2 GLY 66 -11.027 2.337 10.965 489 H GLU 67 HN GLU 67 -8.326 1.611 9.027 490 HA GLU 67 HA GLU 67 -7.443 4.377 9.281 491 HB2 GLU 67 HB2 GLU 67 -6.310 2.230 10.465 492 HB3 GLU 67 HB3 GLU 67 -5.474 2.136 8.928 493 HG2 GLU 67 HG2 GLU 67 -4.084 3.802 9.575 494 HG3 GLU 67 HG3 GLU 67 -5.447 4.897 9.700 495 HE2 GLU 67 HE2 GLU 67 -3.905 5.375 12.288 496 H CYS 68 HN CYS 68 -7.421 1.439 7.187 497 HA CYS 68 HA CYS 68 -6.229 2.934 5.035 498 HB2 CYS 68 HB2 CYS 68 -6.813 0.084 5.601 499 HB3 CYS 68 HB3 CYS 68 -6.963 0.553 3.919 500 H HIS 69 HN HIS 69 -9.339 1.202 5.787 501 HA HIS 69 HA HIS 69 -10.569 2.488 3.506 502 HB2 HIS 69 HB2 HIS 69 -11.630 0.456 5.491 503 HB3 HIS 69 HB3 HIS 69 -12.519 1.067 4.110 504 HD1 HIS 69 HD1 HIS 69 -11.133 0.659 1.686 505 HD2 HIS 69 HD2 HIS 69 -10.259 -1.838 4.942 506 HE1 HIS 69 HE1 HIS 69 -10.018 -1.420 0.714 507 H LYS 70 HN LYS 70 -10.436 4.704 4.259 508 HA LYS 70 HA LYS 70 -12.747 5.513 5.625 509 HB2 LYS 70 HB2 LYS 70 -10.876 4.644 7.425 510 HB3 LYS 70 HB3 LYS 70 -10.473 6.346 7.318 511 HG2 LYS 70 HG2 LYS 70 -13.383 5.575 7.582 512 HG3 LYS 70 HG3 LYS 70 -12.364 5.473 9.003 513 HD2 LYS 70 HD2 LYS 70 -11.603 7.915 8.329 514 HD3 LYS 70 HD3 LYS 70 -13.059 7.923 7.354 515 HE2 LYS 70 HE2 LYS 70 -14.405 8.175 9.179 516 HE3 LYS 70 HE3 LYS 70 -13.596 6.890 10.054 517 HZ1 LYS 70 HZ1 LYS 70 -12.748 8.554 11.297 518 HZ2 LYS 70 HZ2 LYS 70 -11.761 8.912 10.052 519 H LYS 71 HN LYS 71 -12.875 6.708 3.654 520 HA LYS 71 HA LYS 71 -10.747 8.490 2.967 521 HB2 LYS 71 HB2 LYS 71 -11.732 8.166 0.997 522 HB3 LYS 71 HB3 LYS 71 -13.136 7.433 1.745 523 HG2 LYS 71 HG2 LYS 71 -13.969 9.365 0.600 524 HG3 LYS 71 HG3 LYS 71 -13.953 9.807 2.295 525 HD2 LYS 71 HD2 LYS 71 -12.002 11.164 2.054 526 HD3 LYS 71 HD3 LYS 71 -11.553 10.413 0.536 527 HE2 LYS 71 HE2 LYS 71 -13.011 11.712 -0.706 528 HE3 LYS 71 HE3 LYS 71 -14.235 11.734 0.548 529 HZ1 LYS 71 HZ1 LYS 71 -11.781 13.392 0.443 530 HZ2 LYS 71 HZ2 LYS 71 -13.324 13.912 0.445 Start of MODEL 14 1 H1 ALA 1 HN ALA 1 -0.989 14.396 -4.991 2 HA ALA 1 HA ALA 1 -0.062 15.233 -7.653 3 HB1 ALA 1 HB1 ALA 1 1.047 15.730 -4.865 4 HB2 ALA 1 HB2 ALA 1 1.940 16.092 -6.362 5 HB3 ALA 1 HB3 ALA 1 0.411 16.934 -6.012 6 H ASP 2 HN ASP 2 2.377 14.292 -5.417 7 HA ASP 2 HA ASP 2 3.118 12.146 -7.039 8 HB2 ASP 2 HB2 ASP 2 4.008 12.655 -4.167 9 HB3 ASP 2 HB3 ASP 2 4.902 11.799 -5.407 10 HD2 ASP 2 HD2 ASP 2 6.436 13.418 -4.604 11 H ASP 3 HN ASP 3 1.017 12.551 -4.240 12 HA ASP 3 HA ASP 3 1.207 10.075 -3.081 13 HB2 ASP 3 HB2 ASP 3 -0.135 12.220 -2.400 14 HB3 ASP 3 HB3 ASP 3 -1.417 11.579 -3.407 15 HD2 ASP 3 HD2 ASP 3 -2.574 9.990 -2.642 16 H ILE 4 HN ILE 4 -1.178 8.706 -3.117 17 HA ILE 4 HA ILE 4 -2.146 8.409 -5.808 18 HB ILE 4 HB ILE 4 -0.396 6.330 -4.514 19 HG12 ILE 4 HG12 ILE 4 -0.323 7.960 -7.031 20 HG13 ILE 4 HG13 ILE 4 0.945 7.655 -5.861 21 HG21 ILE 4 HG21 ILE 4 -2.480 5.228 -5.166 22 HG22 ILE 4 HG22 ILE 4 -2.338 5.912 -6.804 23 HG23 ILE 4 HG23 ILE 4 -1.131 4.742 -6.221 24 HD11 ILE 4 HD11 ILE 4 1.513 6.343 -7.784 25 HD12 ILE 4 HD12 ILE 4 0.861 5.186 -6.599 26 HD13 ILE 4 HD13 ILE 4 -0.153 5.738 -7.954 27 H VAL 5 HN VAL 5 -4.267 7.792 -5.766 28 HA VAL 5 HA VAL 5 -5.247 6.827 -3.168 29 HB VAL 5 HB VAL 5 -6.748 8.440 -5.235 30 HG11 VAL 5 HG11 VAL 5 -7.835 8.750 -2.646 31 HG12 VAL 5 HG12 VAL 5 -8.541 7.882 -4.031 32 HG13 VAL 5 HG13 VAL 5 -7.532 7.008 -2.854 33 HG21 VAL 5 HG21 VAL 5 -4.996 9.290 -2.962 34 HG22 VAL 5 HG22 VAL 5 -5.267 10.052 -4.548 35 HG23 VAL 5 HG23 VAL 5 -6.491 10.207 -3.265 36 H PHE 6 HN PHE 6 -6.680 5.065 -3.151 37 HA PHE 6 HA PHE 6 -7.045 3.796 -5.774 38 HB2 PHE 6 HB2 PHE 6 -6.435 2.682 -2.974 39 HB3 PHE 6 HB3 PHE 6 -6.921 1.649 -4.304 40 HD1 PHE 6 HD2 PHE 6 -5.413 1.271 -6.201 41 HD2 PHE 6 HD1 PHE 6 -4.219 3.638 -2.887 42 HE1 PHE 6 HE2 PHE 6 -3.020 1.086 -6.932 43 HE2 PHE 6 HE1 PHE 6 -1.825 3.453 -3.618 44 HZ PHE 6 HZ PHE 6 -1.254 2.180 -5.632 45 H LYS 7 HN LYS 7 -9.183 4.388 -6.179 46 HA LYS 7 HA LYS 7 -11.193 4.816 -4.463 47 HB2 LYS 7 HB2 LYS 7 -11.124 3.600 -7.213 48 HB3 LYS 7 HB3 LYS 7 -12.649 3.743 -6.361 49 HG2 LYS 7 HG2 LYS 7 -11.106 6.225 -6.136 50 HG3 LYS 7 HG3 LYS 7 -11.309 5.775 -7.818 51 HD2 LYS 7 HD2 LYS 7 -13.751 5.516 -6.104 52 HD3 LYS 7 HD3 LYS 7 -13.189 7.152 -6.380 53 HE2 LYS 7 HE2 LYS 7 -14.441 6.982 -8.301 54 HE3 LYS 7 HE3 LYS 7 -13.009 6.194 -8.931 55 HZ1 LYS 7 HZ1 LYS 7 -15.534 5.061 -8.606 56 HZ2 LYS 7 HZ2 LYS 7 -14.189 4.311 -9.133 57 H ALA 8 HN ALA 8 -12.195 3.730 -2.858 58 HA ALA 8 HA ALA 8 -12.148 0.797 -3.021 59 HB1 ALA 8 HB1 ALA 8 -10.948 0.720 -1.126 60 HB2 ALA 8 HB2 ALA 8 -10.841 2.497 -1.126 61 HB3 ALA 8 HB3 ALA 8 -12.188 1.686 -0.290 62 H LYS 9 HN LYS 9 -13.992 -0.265 -2.023 63 HA LYS 9 HA LYS 9 -16.352 1.397 -2.216 64 HB2 LYS 9 HB2 LYS 9 -16.280 -1.569 -1.661 65 HB3 LYS 9 HB3 LYS 9 -17.567 -0.622 -2.380 66 HG2 LYS 9 HG2 LYS 9 -15.603 -0.054 -4.169 67 HG3 LYS 9 HG3 LYS 9 -15.012 -1.610 -3.619 68 HD2 LYS 9 HD2 LYS 9 -16.419 -2.262 -5.375 69 HD3 LYS 9 HD3 LYS 9 -17.501 -2.416 -4.005 70 HE2 LYS 9 HE2 LYS 9 -18.167 0.071 -4.507 71 HE3 LYS 9 HE3 LYS 9 -17.386 -0.174 -6.056 72 HZ1 LYS 9 HZ1 LYS 9 -19.372 -1.034 -6.659 73 HZ2 LYS 9 HZ2 LYS 9 -18.967 -2.372 -5.824 74 H ASN 10 HN ASN 10 -14.190 1.345 0.080 75 HA ASN 10 HA ASN 10 -16.213 1.461 2.135 76 HB2 ASN 10 HB2 ASN 10 -13.741 -0.310 2.172 77 HB3 ASN 10 HB3 ASN 10 -14.360 0.332 3.681 78 HD21 ASN 10 HD21 ASN 10 -14.276 -2.331 3.324 79 HD22 ASN 10 HD22 ASN 10 -15.860 -3.008 3.139 80 H GLY 11 HN GLY 11 -14.417 3.294 0.444 81 HA2 GLY 11 HA1 GLY 11 -13.797 5.446 1.307 82 HA3 GLY 11 HA2 GLY 11 -13.068 4.658 2.692 83 H ASP 12 HN ASP 12 -12.119 6.416 0.218 84 HA ASP 12 HA ASP 12 -10.477 4.985 -1.375 85 HB2 ASP 12 HB2 ASP 12 -10.670 7.760 -0.414 86 HB3 ASP 12 HB3 ASP 12 -9.008 7.318 -0.752 87 HD2 ASP 12 HD2 ASP 12 -11.637 8.636 -2.526 88 H VAL 13 HN VAL 13 -8.287 4.202 -1.195 89 HA VAL 13 HA VAL 13 -7.273 4.142 1.558 90 HB VAL 13 HB VAL 13 -7.216 2.240 -0.750 91 HG11 VAL 13 HG11 VAL 13 -5.007 1.901 -0.470 92 HG12 VAL 13 HG12 VAL 13 -4.971 2.766 1.085 93 HG13 VAL 13 HG13 VAL 13 -5.485 1.063 1.026 94 HG21 VAL 13 HG21 VAL 13 -7.321 1.060 1.877 95 HG22 VAL 13 HG22 VAL 13 -8.509 2.381 1.764 96 HG23 VAL 13 HG23 VAL 13 -8.546 1.049 0.585 97 H LYS 14 HN LYS 14 -6.098 6.073 1.634 98 HA LYS 14 HA LYS 14 -4.465 6.917 -0.505 99 HB2 LYS 14 HB2 LYS 14 -5.402 7.957 1.942 100 HB3 LYS 14 HB3 LYS 14 -3.654 7.965 2.071 101 HG2 LYS 14 HG2 LYS 14 -4.024 8.870 -0.529 102 HG3 LYS 14 HG3 LYS 14 -5.424 9.545 0.280 103 HD2 LYS 14 HD2 LYS 14 -2.753 9.801 1.657 104 HD3 LYS 14 HD3 LYS 14 -3.048 10.814 0.259 105 HE2 LYS 14 HE2 LYS 14 -4.728 12.037 1.312 106 HE3 LYS 14 HE3 LYS 14 -5.247 10.687 2.301 107 HZ1 LYS 14 HZ1 LYS 14 -4.135 11.984 3.837 108 HZ2 LYS 14 HZ2 LYS 14 -2.896 11.032 3.382 109 H PHE 15 HN PHE 15 -2.232 6.727 -0.848 110 HA PHE 15 HA PHE 15 -0.740 5.114 1.048 111 HB2 PHE 15 HB2 PHE 15 -1.830 3.571 -0.652 112 HB3 PHE 15 HB3 PHE 15 -1.128 4.519 -1.948 113 HD1 PHE 15 HD1 PHE 15 0.596 3.554 1.184 114 HD2 PHE 15 HD2 PHE 15 0.191 2.861 -2.983 115 HE1 PHE 15 HE1 PHE 15 2.642 2.100 1.227 116 HE2 PHE 15 HE2 PHE 15 2.237 1.407 -2.940 117 HZ PHE 15 HZ PHE 15 3.438 1.044 -0.835 118 HA PRO 16 HA PRO 16 1.950 8.479 -0.150 119 HB2 PRO 16 HB2 PRO 16 3.702 7.212 1.909 120 HB3 PRO 16 HB3 PRO 16 2.979 8.852 1.845 121 HG2 PRO 16 HG2 PRO 16 2.087 6.943 3.621 122 HG3 PRO 16 HG3 PRO 16 1.153 8.273 2.862 123 HD2 PRO 16 HD2 PRO 16 1.344 5.316 2.103 124 HD3 PRO 16 HD3 PRO 16 -0.105 6.364 2.189 125 H HIS 17 HN HIS 17 2.538 7.677 -2.284 126 HA HIS 17 HA HIS 17 4.162 5.370 -2.510 127 HB2 HIS 17 HB2 HIS 17 2.557 6.277 -4.235 128 HB3 HIS 17 HB3 HIS 17 3.710 7.558 -4.555 129 HD1 HIS 17 HD1 HIS 17 5.526 7.063 -6.231 130 HD2 HIS 17 HD2 HIS 17 3.660 3.585 -4.809 131 HE1 HIS 17 HE1 HIS 17 6.455 5.135 -7.619 132 H LYS 18 HN LYS 18 4.810 8.914 -3.019 133 HA LYS 18 HA LYS 18 7.552 8.614 -3.363 134 HB2 LYS 18 HB2 LYS 18 6.154 10.604 -3.966 135 HB3 LYS 18 HB3 LYS 18 6.072 11.021 -2.266 136 HG2 LYS 18 HG2 LYS 18 7.916 12.292 -2.959 137 HG3 LYS 18 HG3 LYS 18 8.705 10.855 -2.339 138 HD2 LYS 18 HD2 LYS 18 9.632 10.469 -4.369 139 HD3 LYS 18 HD3 LYS 18 8.039 10.323 -5.083 140 HE2 LYS 18 HE2 LYS 18 8.070 12.467 -5.935 141 HE3 LYS 18 HE3 LYS 18 8.885 13.128 -4.531 142 HZ1 LYS 18 HZ1 LYS 18 10.940 11.948 -5.393 143 HZ2 LYS 18 HZ2 LYS 18 10.140 11.666 -6.783 144 H ALA 19 HN ALA 19 5.529 9.019 -0.420 145 HA ALA 19 HA ALA 19 7.649 9.411 1.360 146 HB1 ALA 19 HB1 ALA 19 4.829 9.233 1.416 147 HB2 ALA 19 HB2 ALA 19 5.413 7.969 2.525 148 HB3 ALA 19 HB3 ALA 19 5.911 9.661 2.763 149 H HIS 20 HN HIS 20 5.858 6.416 0.358 150 HA HIS 20 HA HIS 20 7.412 4.716 1.946 151 HB2 HIS 20 HB2 HIS 20 5.478 4.406 -0.311 152 HB3 HIS 20 HB3 HIS 20 6.504 3.039 0.075 153 HD1 HIS 20 HD1 HIS 20 3.952 5.334 1.751 154 HD2 HIS 20 HD2 HIS 20 5.684 1.546 2.245 155 HE1 HIS 20 HE1 HIS 20 2.677 4.208 3.653 156 H GLN 21 HN GLN 21 8.169 6.525 -0.866 157 HA GLN 21 HA GLN 21 10.041 4.611 -1.875 158 HB2 GLN 21 HB2 GLN 21 9.394 7.487 -2.641 159 HB3 GLN 21 HB3 GLN 21 10.631 6.543 -3.447 160 HG2 GLN 21 HG2 GLN 21 8.047 5.110 -3.192 161 HG3 GLN 21 HG3 GLN 21 7.928 6.586 -4.129 162 HE21 GLN 21 HE21 GLN 21 7.775 5.853 -6.140 163 HE22 GLN 21 HE22 GLN 21 8.941 4.870 -6.961 164 H LYS 22 HN LYS 22 9.947 6.897 0.662 165 HA LYS 22 HA LYS 22 12.860 7.238 0.556 166 HB2 LYS 22 HB2 LYS 22 10.891 9.154 0.814 167 HB3 LYS 22 HB3 LYS 22 11.355 8.875 2.480 168 HG2 LYS 22 HG2 LYS 22 13.819 8.932 1.137 169 HG3 LYS 22 HG3 LYS 22 12.882 10.153 0.299 170 HD2 LYS 22 HD2 LYS 22 12.421 11.344 2.378 171 HD3 LYS 22 HD3 LYS 22 13.082 10.038 3.341 172 HE2 LYS 22 HE2 LYS 22 15.020 10.997 1.339 173 HE3 LYS 22 HE3 LYS 22 14.485 12.291 2.393 174 HZ1 LYS 22 HZ1 LYS 22 15.220 9.736 3.636 175 HZ2 LYS 22 HZ2 LYS 22 16.425 10.702 3.121 176 H ALA 23 HN ALA 23 10.170 5.702 2.161 177 HA ALA 23 HA ALA 23 11.640 5.277 4.611 178 HB1 ALA 23 HB1 ALA 23 9.545 3.817 5.052 179 HB2 ALA 23 HB2 ALA 23 9.315 5.577 4.910 180 HB3 ALA 23 HB3 ALA 23 8.910 4.513 3.542 181 H VAL 24 HN VAL 24 10.509 3.398 1.733 182 HA VAL 24 HA VAL 24 12.293 1.237 2.611 183 HB VAL 24 HB VAL 24 9.881 1.224 0.786 184 HG11 VAL 24 HG11 VAL 24 11.415 -1.205 1.735 185 HG12 VAL 24 HG12 VAL 24 10.182 -1.094 0.455 186 HG13 VAL 24 HG13 VAL 24 11.794 -0.381 0.204 187 HG21 VAL 24 HG21 VAL 24 8.623 0.532 2.526 188 HG22 VAL 24 HG22 VAL 24 9.927 -0.470 3.206 189 HG23 VAL 24 HG23 VAL 24 9.896 1.282 3.518 190 HA PRO 25 HA PRO 25 14.823 2.278 -0.839 191 HB2 PRO 25 HB2 PRO 25 16.612 0.248 -0.632 192 HB3 PRO 25 HB3 PRO 25 16.467 1.496 0.648 193 HG2 PRO 25 HG2 PRO 25 15.281 -1.433 0.905 194 HG3 PRO 25 HG3 PRO 25 16.209 -0.164 1.770 195 HD2 PRO 25 HD2 PRO 25 13.314 -0.571 1.656 196 HD3 PRO 25 HD3 PRO 25 14.208 0.722 2.512 197 H ASP 26 HN ASP 26 15.394 -1.197 -1.105 198 HA ASP 26 HA ASP 26 14.980 -1.420 -3.687 199 HB2 ASP 26 HB2 ASP 26 15.720 -3.300 -2.308 200 HB3 ASP 26 HB3 ASP 26 14.163 -3.395 -1.510 201 HD2 ASP 26 HD2 ASP 26 14.380 -3.907 -5.338 202 H CYS 27 HN CYS 27 13.231 -1.244 -5.118 203 HA CYS 27 HA CYS 27 10.627 -0.813 -3.932 204 HB2 CYS 27 HB2 CYS 27 11.614 -0.477 -6.772 205 HB3 CYS 27 HB3 CYS 27 9.984 -0.125 -6.232 206 H LYS 28 HN LYS 28 12.558 -3.253 -5.530 207 HA LYS 28 HA LYS 28 10.702 -4.703 -6.926 208 HB2 LYS 28 HB2 LYS 28 13.162 -5.508 -5.370 209 HB3 LYS 28 HB3 LYS 28 12.210 -6.682 -6.255 210 HG2 LYS 28 HG2 LYS 28 12.532 -4.532 -8.067 211 HG3 LYS 28 HG3 LYS 28 14.089 -4.667 -7.274 212 HD2 LYS 28 HD2 LYS 28 13.335 -7.344 -7.789 213 HD3 LYS 28 HD3 LYS 28 12.836 -6.471 -9.224 214 HE2 LYS 28 HE2 LYS 28 15.135 -5.472 -9.403 215 HE3 LYS 28 HE3 LYS 28 15.629 -6.376 -7.985 216 HZ1 LYS 28 HZ1 LYS 28 15.553 -7.290 -10.626 217 HZ2 LYS 28 HZ2 LYS 28 16.000 -8.134 -9.308 218 H LYS 29 HN LYS 29 10.965 -4.155 -3.470 219 HA LYS 29 HA LYS 29 9.618 -6.449 -2.593 220 HB2 LYS 29 HB2 LYS 29 10.107 -3.709 -1.433 221 HB3 LYS 29 HB3 LYS 29 9.106 -4.877 -0.593 222 HG2 LYS 29 HG2 LYS 29 11.973 -5.386 -1.522 223 HG3 LYS 29 HG3 LYS 29 11.512 -4.976 0.118 224 HD2 LYS 29 HD2 LYS 29 11.223 -7.191 0.513 225 HD3 LYS 29 HD3 LYS 29 9.824 -7.139 -0.540 226 HE2 LYS 29 HE2 LYS 29 11.232 -7.669 -2.505 227 HE3 LYS 29 HE3 LYS 29 12.680 -7.606 -1.520 228 HZ1 LYS 29 HZ1 LYS 29 12.220 -9.634 -0.609 229 HZ2 LYS 29 HZ2 LYS 29 10.606 -9.423 -0.583 230 H CYS 30 HN CYS 30 8.566 -3.513 -4.219 231 HA CYS 30 HA CYS 30 5.796 -4.325 -3.712 232 HB2 CYS 30 HB2 CYS 30 6.974 -1.584 -4.229 233 HB3 CYS 30 HB3 CYS 30 5.262 -1.917 -4.395 234 H HIS 31 HN HIS 31 8.306 -3.284 -6.065 235 HA HIS 31 HA HIS 31 6.482 -4.085 -8.213 236 HB2 HIS 31 HB2 HIS 31 8.853 -2.197 -8.275 237 HB3 HIS 31 HB3 HIS 31 7.935 -2.694 -9.683 238 HD1 HIS 31 HD1 HIS 31 5.142 -2.189 -9.291 239 HD2 HIS 31 HD2 HIS 31 7.966 0.177 -7.285 240 HE1 HIS 31 HE1 HIS 31 3.934 -0.041 -8.629 241 H GLU 32 HN GLU 32 7.080 -6.355 -7.575 242 HA GLU 32 HA GLU 32 9.716 -7.208 -7.752 243 HB2 GLU 32 HB2 GLU 32 8.660 -9.502 -7.992 244 HB3 GLU 32 HB3 GLU 32 8.102 -8.581 -6.610 245 HG2 GLU 32 HG2 GLU 32 5.985 -8.913 -7.357 246 HG3 GLU 32 HG3 GLU 32 6.345 -7.803 -8.664 247 HE2 GLU 32 HE2 GLU 32 8.251 -9.778 -9.938 248 H LYS 33 HN LYS 33 7.102 -6.824 -10.175 249 HA LYS 33 HA LYS 33 8.881 -7.905 -12.224 250 HB2 LYS 33 HB2 LYS 33 6.994 -8.281 -13.534 251 HB3 LYS 33 HB3 LYS 33 6.443 -8.657 -11.915 252 HG2 LYS 33 HG2 LYS 33 4.807 -7.103 -12.114 253 HG3 LYS 33 HG3 LYS 33 6.021 -5.849 -12.267 254 HD2 LYS 33 HD2 LYS 33 6.157 -6.271 -14.727 255 HD3 LYS 33 HD3 LYS 33 4.957 -7.540 -14.580 256 HE2 LYS 33 HE2 LYS 33 3.676 -5.420 -13.323 257 HE3 LYS 33 HE3 LYS 33 4.597 -4.587 -14.559 258 HZ1 LYS 33 HZ1 LYS 33 2.259 -6.097 -14.908 259 HZ2 LYS 33 HZ2 LYS 33 3.098 -5.297 -16.052 260 H GLY 34 HN GLY 34 9.724 -5.491 -11.019 261 HA2 GLY 34 HA1 GLY 34 10.610 -3.547 -11.763 262 HA3 GLY 34 HA2 GLY 34 9.894 -3.824 -13.338 263 HA PRO 35 HA PRO 35 7.818 -0.503 -10.363 264 HB2 PRO 35 HB2 PRO 35 9.024 1.215 -12.550 265 HB3 PRO 35 HB3 PRO 35 8.815 1.532 -10.797 266 HG2 PRO 35 HG2 PRO 35 11.327 0.775 -11.717 267 HG3 PRO 35 HG3 PRO 35 10.411 0.415 -10.218 268 HD2 PRO 35 HD2 PRO 35 10.880 -1.308 -12.702 269 HD3 PRO 35 HD3 PRO 35 10.976 -1.775 -10.977 270 H GLY 36 HN GLY 36 5.652 -0.052 -10.857 271 HA2 GLY 36 HA1 GLY 36 4.434 0.912 -12.952 272 HA3 GLY 36 HA2 GLY 36 4.816 -0.671 -13.600 273 H LYS 37 HN LYS 37 2.272 -0.532 -13.651 274 HA LYS 37 HA LYS 37 0.808 -0.716 -11.303 275 HB2 LYS 37 HB2 LYS 37 -0.966 -1.025 -12.677 276 HB3 LYS 37 HB3 LYS 37 0.179 -0.497 -13.893 277 HG2 LYS 37 HG2 LYS 37 -0.335 -3.421 -13.172 278 HG3 LYS 37 HG3 LYS 37 -1.077 -2.596 -14.527 279 HD2 LYS 37 HD2 LYS 37 1.825 -2.199 -14.549 280 HD3 LYS 37 HD3 LYS 37 1.439 -3.908 -14.495 281 HE2 LYS 37 HE2 LYS 37 0.428 -3.898 -16.586 282 HE3 LYS 37 HE3 LYS 37 -0.183 -2.265 -16.407 283 HZ1 LYS 37 HZ1 LYS 37 2.598 -3.047 -17.074 284 HZ2 LYS 37 HZ2 LYS 37 1.571 -2.182 -17.996 285 H ILE 38 HN ILE 38 -0.235 -2.621 -10.314 286 HA ILE 38 HA ILE 38 1.555 -4.945 -10.474 287 HB ILE 38 HB ILE 38 -0.009 -3.832 -8.144 288 HG12 ILE 38 HG12 ILE 38 2.981 -4.197 -8.351 289 HG13 ILE 38 HG13 ILE 38 2.195 -2.735 -8.913 290 HG21 ILE 38 HG21 ILE 38 -0.121 -6.229 -8.026 291 HG22 ILE 38 HG22 ILE 38 1.620 -6.376 -8.366 292 HG23 ILE 38 HG23 ILE 38 1.071 -5.653 -6.835 293 HD11 ILE 38 HD11 ILE 38 1.064 -2.619 -6.588 294 HD12 ILE 38 HD12 ILE 38 2.231 -3.868 -6.090 295 HD13 ILE 38 HD13 ILE 38 2.811 -2.280 -6.649 296 H GLU 39 HN GLU 39 0.551 -6.260 -11.960 297 HA GLU 39 HA GLU 39 -2.266 -6.436 -12.039 298 HB2 GLU 39 HB2 GLU 39 -0.523 -6.819 -13.943 299 HB3 GLU 39 HB3 GLU 39 -0.344 -8.432 -13.281 300 HG2 GLU 39 HG2 GLU 39 -2.437 -9.109 -13.983 301 HG3 GLU 39 HG3 GLU 39 -3.168 -7.547 -13.673 302 HE2 GLU 39 HE2 GLU 39 -4.017 -7.972 -16.034 303 H GLY 40 HN GLY 40 -3.283 -7.273 -10.236 304 HA2 GLY 40 HA1 GLY 40 -3.916 -9.601 -9.541 305 HA3 GLY 40 HA2 GLY 40 -2.218 -9.815 -9.163 306 H PHE 41 HN PHE 41 -2.728 -6.586 -8.561 307 HA PHE 41 HA PHE 41 -2.548 -6.878 -5.797 308 HB2 PHE 41 HB2 PHE 41 -1.825 -4.905 -7.207 309 HB3 PHE 41 HB3 PHE 41 -3.499 -4.575 -7.606 310 HD1 PHE 41 HD2 PHE 41 -1.011 -4.524 -4.889 311 HD2 PHE 41 HD1 PHE 41 -4.918 -3.389 -6.095 312 HE1 PHE 41 HE2 PHE 41 -1.194 -3.023 -2.886 313 HE2 PHE 41 HE1 PHE 41 -5.101 -1.888 -4.092 314 HZ PHE 41 HZ PHE 41 -3.236 -1.723 -2.511 315 H GLY 42 HN GLY 42 -4.122 -5.768 -4.205 316 HA2 GLY 42 HA1 GLY 42 -6.621 -5.121 -4.288 317 HA3 GLY 42 HA2 GLY 42 -6.819 -6.790 -4.786 318 H LYS 43 HN LYS 43 -8.117 -6.120 -2.504 319 HA LYS 43 HA LYS 43 -7.068 -5.980 -0.104 320 HB2 LYS 43 HB2 LYS 43 -8.827 -7.936 0.444 321 HB3 LYS 43 HB3 LYS 43 -9.298 -6.290 0.073 322 HG2 LYS 43 HG2 LYS 43 -10.166 -6.852 -1.982 323 HG3 LYS 43 HG3 LYS 43 -8.886 -7.998 -2.328 324 HD2 LYS 43 HD2 LYS 43 -10.256 -9.711 -1.763 325 HD3 LYS 43 HD3 LYS 43 -10.384 -9.080 -0.133 326 HE2 LYS 43 HE2 LYS 43 -12.497 -8.308 -0.494 327 HE3 LYS 43 HE3 LYS 43 -12.031 -7.508 -1.982 328 HZ1 LYS 43 HZ1 LYS 43 -13.648 -9.554 -2.032 329 HZ2 LYS 43 HZ2 LYS 43 -12.552 -9.373 -3.223 330 H GLU 44 HN GLU 44 -6.885 -8.909 -2.192 331 HA GLU 44 HA GLU 44 -5.966 -10.761 -0.570 332 HB2 GLU 44 HB2 GLU 44 -5.317 -9.998 -3.379 333 HB3 GLU 44 HB3 GLU 44 -4.187 -11.109 -2.632 334 HG2 GLU 44 HG2 GLU 44 -6.091 -12.614 -2.002 335 HG3 GLU 44 HG3 GLU 44 -7.214 -11.506 -2.765 336 HE2 GLU 44 HE2 GLU 44 -6.647 -12.288 -5.879 337 H MET 45 HN MET 45 -3.531 -8.706 -2.324 338 HA MET 45 HA MET 45 -1.565 -9.331 -0.410 339 HB2 MET 45 HB2 MET 45 -1.372 -8.641 -2.952 340 HB3 MET 45 HB3 MET 45 -1.490 -6.990 -2.374 341 HG2 MET 45 HG2 MET 45 0.701 -6.997 -1.777 342 HG3 MET 45 HG3 MET 45 0.451 -8.384 -0.736 343 HE1 MET 45 HE1 MET 45 2.110 -8.286 -4.971 344 HE2 MET 45 HE2 MET 45 0.914 -7.141 -4.317 345 HE3 MET 45 HE3 MET 45 2.547 -7.220 -3.615 346 H ALA 46 HN ALA 46 -3.436 -6.321 -1.200 347 HA ALA 46 HA ALA 46 -2.329 -4.568 0.526 348 HB1 ALA 46 HB1 ALA 46 -5.333 -4.816 0.272 349 HB2 ALA 46 HB2 ALA 46 -4.330 -3.347 0.321 350 HB3 ALA 46 HB3 ALA 46 -4.330 -4.376 -1.131 351 H HIS 47 HN HIS 47 -4.205 -7.465 1.285 352 HA HIS 47 HA HIS 47 -4.361 -6.622 4.071 353 HB2 HIS 47 HB2 HIS 47 -5.666 -8.936 2.611 354 HB3 HIS 47 HB3 HIS 47 -5.859 -8.593 4.318 355 HD1 HIS 47 HD1 HIS 47 -8.275 -8.595 2.331 356 HD2 HIS 47 HD2 HIS 47 -6.155 -5.176 3.517 357 HE1 HIS 47 HE1 HIS 47 -9.850 -6.619 1.977 358 H GLY 48 HN GLY 48 -3.418 -9.512 2.072 359 HA2 GLY 48 HA1 GLY 48 -2.123 -10.903 4.111 360 HA3 GLY 48 HA2 GLY 48 -1.838 -11.075 2.390 361 H LYS 49 HN LYS 49 0.423 -11.229 2.411 362 HA LYS 49 HA LYS 49 1.956 -9.316 3.904 363 HB2 LYS 49 HB2 LYS 49 2.397 -11.884 3.181 364 HB3 LYS 49 HB3 LYS 49 3.250 -11.071 1.884 365 HG2 LYS 49 HG2 LYS 49 4.975 -10.614 3.280 366 HG3 LYS 49 HG3 LYS 49 3.908 -9.691 4.320 367 HD2 LYS 49 HD2 LYS 49 3.604 -12.634 4.607 368 HD3 LYS 49 HD3 LYS 49 5.197 -12.046 5.038 369 HE2 LYS 49 HE2 LYS 49 4.103 -10.319 6.539 370 HE3 LYS 49 HE3 LYS 49 2.546 -11.030 6.168 371 HZ1 LYS 49 HZ1 LYS 49 4.702 -12.132 7.800 372 HZ2 LYS 49 HZ2 LYS 49 3.093 -12.238 8.022 373 H GLY 50 HN GLY 50 0.378 -7.737 2.447 374 HA2 GLY 50 HA1 GLY 50 1.966 -6.984 0.070 375 HA3 GLY 50 HA2 GLY 50 0.255 -6.675 0.290 376 H CYS 51 HN CYS 51 -0.223 -5.439 2.537 377 HA CYS 51 HA CYS 51 1.755 -3.280 2.678 378 HB2 CYS 51 HB2 CYS 51 -1.216 -2.971 3.123 379 HB3 CYS 51 HB3 CYS 51 -0.009 -1.704 3.037 380 H LYS 52 HN LYS 52 -0.916 -5.053 4.393 381 HA LYS 52 HA LYS 52 -0.244 -4.107 6.944 382 HB2 LYS 52 HB2 LYS 52 -1.635 -6.721 6.328 383 HB3 LYS 52 HB3 LYS 52 -1.807 -5.712 7.750 384 HG2 LYS 52 HG2 LYS 52 -2.407 -3.958 5.637 385 HG3 LYS 52 HG3 LYS 52 -3.117 -5.473 5.117 386 HD2 LYS 52 HD2 LYS 52 -3.782 -5.280 7.865 387 HD3 LYS 52 HD3 LYS 52 -3.989 -3.654 7.246 388 HE2 LYS 52 HE2 LYS 52 -6.083 -4.522 6.725 389 HE3 LYS 52 HE3 LYS 52 -5.239 -4.912 5.240 390 HZ1 LYS 52 HZ1 LYS 52 -5.101 -7.137 5.829 391 HZ2 LYS 52 HZ2 LYS 52 -5.168 -6.869 7.434 392 H GLY 53 HN GLY 53 1.125 -6.583 4.848 393 HA2 GLY 53 HA1 GLY 53 2.373 -8.159 6.839 394 HA3 GLY 53 HA2 GLY 53 2.791 -8.068 5.139 395 H CYS 54 HN CYS 54 3.431 -5.300 4.876 396 HA CYS 54 HA CYS 54 5.977 -5.330 6.240 397 HB2 CYS 54 HB2 CYS 54 5.419 -4.742 3.695 398 HB3 CYS 54 HB3 CYS 54 5.203 -3.134 4.358 399 H HIS 55 HN HIS 55 3.191 -4.770 7.504 400 HA HIS 55 HA HIS 55 3.891 -2.136 8.582 401 HB2 HIS 55 HB2 HIS 55 1.211 -3.325 7.888 402 HB3 HIS 55 HB3 HIS 55 1.345 -2.065 9.099 403 HD1 HIS 55 HD1 HIS 55 -0.272 -1.117 6.891 404 HD2 HIS 55 HD2 HIS 55 3.913 -1.043 6.614 405 HE1 HIS 55 HE1 HIS 55 0.295 0.592 5.084 406 H GLU 56 HN GLU 56 1.750 -4.954 9.431 407 HA GLU 56 HA GLU 56 1.904 -4.649 12.110 408 HB2 GLU 56 HB2 GLU 56 1.220 -6.815 10.236 409 HB3 GLU 56 HB3 GLU 56 1.828 -7.431 11.759 410 HG2 GLU 56 HG2 GLU 56 0.186 -5.847 12.939 411 HG3 GLU 56 HG3 GLU 56 -0.508 -5.508 11.365 412 HE2 GLU 56 HE2 GLU 56 -2.333 -6.658 11.322 413 H GLU 57 HN GLU 57 4.165 -6.443 9.937 414 HA GLU 57 HA GLU 57 5.693 -7.730 11.698 415 HB2 GLU 57 HB2 GLU 57 6.157 -6.443 9.062 416 HB3 GLU 57 HB3 GLU 57 7.619 -6.720 9.987 417 HG2 GLU 57 HG2 GLU 57 6.129 -9.102 10.310 418 HG3 GLU 57 HG3 GLU 57 5.884 -8.664 8.631 419 HE2 GLU 57 HE2 GLU 57 7.834 -8.826 7.280 420 H MET 58 HN MET 58 5.800 -4.205 10.950 421 HA MET 58 HA MET 58 7.841 -3.906 12.987 422 HB2 MET 58 HB2 MET 58 6.626 -1.962 10.945 423 HB3 MET 58 HB3 MET 58 7.887 -1.514 12.076 424 HG2 MET 58 HG2 MET 58 8.734 -3.937 10.762 425 HG3 MET 58 HG3 MET 58 8.160 -2.842 9.520 426 HE1 MET 58 HE1 MET 58 11.169 -2.952 8.858 427 HE2 MET 58 HE2 MET 58 9.771 -1.989 8.323 428 HE3 MET 58 HE3 MET 58 11.279 -1.176 8.806 429 H LYS 59 HN LYS 59 4.425 -3.706 12.544 430 HA LYS 59 HA LYS 59 2.783 -3.087 13.885 431 HB2 LYS 59 HB2 LYS 59 4.692 -3.912 15.627 432 HB3 LYS 59 HB3 LYS 59 4.488 -2.258 16.169 433 HG2 LYS 59 HG2 LYS 59 2.885 -3.542 17.409 434 HG3 LYS 59 HG3 LYS 59 1.958 -2.680 16.197 435 HD2 LYS 59 HD2 LYS 59 1.150 -4.655 15.437 436 HD3 LYS 59 HD3 LYS 59 2.770 -5.116 14.954 437 HE2 LYS 59 HE2 LYS 59 2.784 -5.527 17.735 438 HE3 LYS 59 HE3 LYS 59 1.174 -6.032 17.262 439 HZ1 LYS 59 HZ1 LYS 59 3.555 -7.437 16.877 440 HZ2 LYS 59 HZ2 LYS 59 2.065 -7.888 16.400 441 H LYS 60 HN LYS 60 3.507 -1.306 11.968 442 HA LYS 60 HA LYS 60 2.768 1.170 13.224 443 HB2 LYS 60 HB2 LYS 60 5.542 0.658 12.350 444 HB3 LYS 60 HB3 LYS 60 4.840 2.130 11.711 445 HG2 LYS 60 HG2 LYS 60 4.256 1.690 14.590 446 HG3 LYS 60 HG3 LYS 60 5.965 1.855 14.240 447 HD2 LYS 60 HD2 LYS 60 4.548 3.858 12.713 448 HD3 LYS 60 HD3 LYS 60 3.962 3.925 14.363 449 HE2 LYS 60 HE2 LYS 60 6.945 3.766 13.841 450 HE3 LYS 60 HE3 LYS 60 6.119 5.302 13.674 451 HZ1 LYS 60 HZ1 LYS 60 5.628 3.754 16.118 452 HZ2 LYS 60 HZ2 LYS 60 7.051 4.535 15.992 453 H GLY 61 HN GLY 61 1.377 2.257 11.905 454 HA2 GLY 61 HA1 GLY 61 0.978 3.053 9.631 455 HA3 GLY 61 HA2 GLY 61 1.340 1.436 9.061 456 HA PRO 62 HA PRO 62 -3.289 2.065 9.804 457 HB2 PRO 62 HB2 PRO 62 -4.021 1.524 7.196 458 HB3 PRO 62 HB3 PRO 62 -3.569 3.160 7.778 459 HG2 PRO 62 HG2 PRO 62 -1.856 1.209 6.351 460 HG3 PRO 62 HG3 PRO 62 -2.062 2.958 6.012 461 HD2 PRO 62 HD2 PRO 62 0.051 2.044 7.461 462 HD3 PRO 62 HD3 PRO 62 -0.790 3.548 7.947 463 H THR 63 HN THR 63 -3.423 0.127 11.067 464 HA THR 63 HA THR 63 -3.247 -2.361 9.501 465 HB THR 63 HB THR 63 -3.042 -3.251 12.003 466 HG1 THR 63 HG1 THR 63 -1.984 -0.537 12.161 467 HG21 THR 63 HG21 THR 63 -1.029 -2.016 10.190 468 HG22 THR 63 HG22 THR 63 -0.545 -2.030 11.903 469 HG23 THR 63 HG23 THR 63 -0.951 -3.556 11.081 470 H LYS 64 HN LYS 64 -5.417 -0.119 10.852 471 HA LYS 64 HA LYS 64 -7.411 -2.205 11.329 472 HB2 LYS 64 HB2 LYS 64 -7.647 0.747 11.950 473 HB3 LYS 64 HB3 LYS 64 -8.650 -0.561 12.543 474 HG2 LYS 64 HG2 LYS 64 -7.188 -0.188 14.355 475 HG3 LYS 64 HG3 LYS 64 -6.433 -1.543 13.540 476 HD2 LYS 64 HD2 LYS 64 -4.673 -0.251 12.700 477 HD3 LYS 64 HD3 LYS 64 -5.624 1.219 12.655 478 HE2 LYS 64 HE2 LYS 64 -5.253 0.135 15.396 479 HE3 LYS 64 HE3 LYS 64 -3.751 0.580 14.612 480 HZ1 LYS 64 HZ1 LYS 64 -4.409 2.599 15.470 481 HZ2 LYS 64 HZ2 LYS 64 -5.135 2.727 14.019 482 H CYS 65 HN CYS 65 -9.668 -1.719 10.476 483 HA CYS 65 HA CYS 65 -9.402 -1.179 7.685 484 HB2 CYS 65 HB2 CYS 65 -12.099 -1.493 8.858 485 HB3 CYS 65 HB3 CYS 65 -11.393 -2.221 7.429 486 H GLY 66 HN GLY 66 -9.672 0.725 10.452 487 HA2 GLY 66 HA1 GLY 66 -11.435 2.730 9.233 488 HA3 GLY 66 HA2 GLY 66 -10.884 2.677 10.896 489 H GLU 67 HN GLU 67 -8.217 1.853 9.012 490 HA GLU 67 HA GLU 67 -7.323 4.621 9.096 491 HB2 GLU 67 HB2 GLU 67 -6.171 2.452 10.268 492 HB3 GLU 67 HB3 GLU 67 -5.358 2.392 8.717 493 HG2 GLU 67 HG2 GLU 67 -3.925 3.938 9.581 494 HG3 GLU 67 HG3 GLU 67 -5.210 5.101 9.323 495 HE2 GLU 67 HE2 GLU 67 -6.078 5.980 11.201 496 H CYS 68 HN CYS 68 -7.358 1.616 7.090 497 HA CYS 68 HA CYS 68 -6.267 3.064 4.852 498 HB2 CYS 68 HB2 CYS 68 -6.844 0.207 5.482 499 HB3 CYS 68 HB3 CYS 68 -6.919 0.671 3.794 500 H HIS 69 HN HIS 69 -9.303 1.260 5.737 501 HA HIS 69 HA HIS 69 -10.642 2.466 3.477 502 HB2 HIS 69 HB2 HIS 69 -11.592 0.461 5.542 503 HB3 HIS 69 HB3 HIS 69 -12.529 1.007 4.165 504 HD1 HIS 69 HD1 HIS 69 -11.167 0.573 1.724 505 HD2 HIS 69 HD2 HIS 69 -10.191 -1.821 5.027 506 HE1 HIS 69 HE1 HIS 69 -10.023 -1.506 0.786 507 H LYS 70 HN LYS 70 -10.464 4.703 4.244 508 HA LYS 70 HA LYS 70 -12.781 5.510 5.602 509 HB2 LYS 70 HB2 LYS 70 -11.318 4.603 7.514 510 HB3 LYS 70 HB3 LYS 70 -10.289 5.994 7.240 511 HG2 LYS 70 HG2 LYS 70 -11.697 7.228 8.517 512 HG3 LYS 70 HG3 LYS 70 -12.921 7.048 7.276 513 HD2 LYS 70 HD2 LYS 70 -12.475 4.877 9.360 514 HD3 LYS 70 HD3 LYS 70 -13.493 6.261 9.705 515 HE2 LYS 70 HE2 LYS 70 -15.184 5.527 8.333 516 HE3 LYS 70 HE3 LYS 70 -14.078 4.992 7.084 517 HZ1 LYS 70 HZ1 LYS 70 -13.549 3.154 8.888 518 HZ2 LYS 70 HZ2 LYS 70 -15.052 3.501 9.408 519 H LYS 71 HN LYS 71 -12.545 6.421 3.335 520 HA LYS 71 HA LYS 71 -10.646 8.090 2.448 521 HB2 LYS 71 HB2 LYS 71 -12.148 8.627 0.863 522 HB3 LYS 71 HB3 LYS 71 -13.138 7.405 1.635 523 HG2 LYS 71 HG2 LYS 71 -14.651 9.161 1.675 524 HG3 LYS 71 HG3 LYS 71 -13.857 9.461 3.208 525 HD2 LYS 71 HD2 LYS 71 -12.927 11.414 2.476 526 HD3 LYS 71 HD3 LYS 71 -12.407 10.702 0.962 527 HE2 LYS 71 HE2 LYS 71 -15.304 11.490 1.519 528 HE3 LYS 71 HE3 LYS 71 -14.151 12.569 0.759 529 HZ1 LYS 71 HZ1 LYS 71 -14.789 11.559 -1.141 530 HZ2 LYS 71 HZ2 LYS 71 -13.901 10.272 -0.687 Start of MODEL 15 1 H1 ALA 1 HN ALA 1 0.303 14.819 -3.964 2 HA ALA 1 HA ALA 1 -0.578 15.080 -6.752 3 HB1 ALA 1 HB1 ALA 1 1.951 15.882 -6.998 4 HB2 ALA 1 HB2 ALA 1 0.654 17.030 -6.587 5 HB3 ALA 1 HB3 ALA 1 1.710 16.384 -5.307 6 H ASP 2 HN ASP 2 2.753 14.425 -5.742 7 HA ASP 2 HA ASP 2 3.101 12.247 -7.227 8 HB2 ASP 2 HB2 ASP 2 4.227 12.714 -4.425 9 HB3 ASP 2 HB3 ASP 2 4.898 11.584 -5.584 10 HD2 ASP 2 HD2 ASP 2 6.902 12.842 -6.503 11 H ASP 3 HN ASP 3 1.266 12.561 -4.232 12 HA ASP 3 HA ASP 3 1.379 10.055 -3.203 13 HB2 ASP 3 HB2 ASP 3 0.094 12.198 -2.427 14 HB3 ASP 3 HB3 ASP 3 -1.221 11.619 -3.429 15 HD2 ASP 3 HD2 ASP 3 -2.736 10.299 -1.702 16 H ILE 4 HN ILE 4 -1.039 8.736 -3.220 17 HA ILE 4 HA ILE 4 -2.060 8.522 -5.900 18 HB ILE 4 HB ILE 4 -0.358 6.361 -4.674 19 HG12 ILE 4 HG12 ILE 4 -0.242 8.050 -7.155 20 HG13 ILE 4 HG13 ILE 4 1.012 7.713 -5.978 21 HG21 ILE 4 HG21 ILE 4 -1.141 4.849 -6.422 22 HG22 ILE 4 HG22 ILE 4 -2.481 5.353 -5.364 23 HG23 ILE 4 HG23 ILE 4 -2.303 6.076 -6.981 24 HD11 ILE 4 HD11 ILE 4 0.930 5.265 -6.750 25 HD12 ILE 4 HD12 ILE 4 -0.104 5.820 -8.088 26 HD13 ILE 4 HD13 ILE 4 1.562 6.430 -7.938 27 H VAL 5 HN VAL 5 -4.195 7.959 -5.835 28 HA VAL 5 HA VAL 5 -5.157 6.964 -3.241 29 HB VAL 5 HB VAL 5 -6.634 8.667 -5.255 30 HG11 VAL 5 HG11 VAL 5 -7.503 7.131 -3.014 31 HG12 VAL 5 HG12 VAL 5 -7.656 8.852 -2.589 32 HG13 VAL 5 HG13 VAL 5 -8.454 8.222 -4.050 33 HG21 VAL 5 HG21 VAL 5 -5.323 10.343 -4.524 34 HG22 VAL 5 HG22 VAL 5 -6.278 10.240 -3.026 35 HG23 VAL 5 HG23 VAL 5 -4.716 9.395 -3.145 36 H PHE 6 HN PHE 6 -6.555 5.194 -3.230 37 HA PHE 6 HA PHE 6 -7.016 4.001 -5.873 38 HB2 PHE 6 HB2 PHE 6 -6.388 2.824 -3.103 39 HB3 PHE 6 HB3 PHE 6 -6.917 1.825 -4.442 40 HD1 PHE 6 HD2 PHE 6 -5.450 1.469 -6.382 41 HD2 PHE 6 HD1 PHE 6 -4.148 3.710 -3.022 42 HE1 PHE 6 HE2 PHE 6 -3.072 1.246 -7.155 43 HE2 PHE 6 HE1 PHE 6 -1.771 3.488 -3.794 44 HZ PHE 6 HZ PHE 6 -1.261 2.259 -5.852 45 H LYS 7 HN LYS 7 -9.153 4.340 -6.340 46 HA LYS 7 HA LYS 7 -11.151 4.903 -4.594 47 HB2 LYS 7 HB2 LYS 7 -11.013 3.759 -7.342 48 HB3 LYS 7 HB3 LYS 7 -12.548 3.631 -6.507 49 HG2 LYS 7 HG2 LYS 7 -11.323 6.298 -6.183 50 HG3 LYS 7 HG3 LYS 7 -11.587 5.892 -7.867 51 HD2 LYS 7 HD2 LYS 7 -13.978 5.298 -7.319 52 HD3 LYS 7 HD3 LYS 7 -13.699 5.789 -5.660 53 HE2 LYS 7 HE2 LYS 7 -13.713 8.042 -6.174 54 HE3 LYS 7 HE3 LYS 7 -12.904 7.809 -7.711 55 HZ1 LYS 7 HZ1 LYS 7 -15.776 7.538 -7.121 56 HZ2 LYS 7 HZ2 LYS 7 -15.064 8.351 -8.339 57 H ALA 8 HN ALA 8 -12.318 3.842 -3.064 58 HA ALA 8 HA ALA 8 -12.187 0.912 -3.105 59 HB1 ALA 8 HB1 ALA 8 -12.280 1.844 -0.401 60 HB2 ALA 8 HB2 ALA 8 -10.994 0.911 -1.204 61 HB3 ALA 8 HB3 ALA 8 -10.947 2.690 -1.223 62 H LYS 9 HN LYS 9 -14.071 -0.142 -2.289 63 HA LYS 9 HA LYS 9 -16.417 1.535 -2.457 64 HB2 LYS 9 HB2 LYS 9 -16.431 -1.435 -1.965 65 HB3 LYS 9 HB3 LYS 9 -17.623 -0.443 -2.781 66 HG2 LYS 9 HG2 LYS 9 -15.618 0.074 -4.460 67 HG3 LYS 9 HG3 LYS 9 -14.940 -1.402 -3.801 68 HD2 LYS 9 HD2 LYS 9 -16.287 -2.622 -5.152 69 HD3 LYS 9 HD3 LYS 9 -17.694 -1.961 -4.343 70 HE2 LYS 9 HE2 LYS 9 -17.037 0.158 -5.966 71 HE3 LYS 9 HE3 LYS 9 -16.458 -1.172 -6.950 72 HZ1 LYS 9 HZ1 LYS 9 -19.062 -0.367 -6.762 73 HZ2 LYS 9 HZ2 LYS 9 -18.569 -1.785 -7.395 74 H ASN 10 HN ASN 10 -14.280 1.298 -0.104 75 HA ASN 10 HA ASN 10 -16.357 1.404 1.904 76 HB2 ASN 10 HB2 ASN 10 -14.220 -0.638 1.725 77 HB3 ASN 10 HB3 ASN 10 -14.180 0.218 3.254 78 HD21 ASN 10 HD21 ASN 10 -14.710 -2.339 3.420 79 HD22 ASN 10 HD22 ASN 10 -16.376 -2.678 3.748 80 H GLY 11 HN GLY 11 -14.428 3.228 0.308 81 HA2 GLY 11 HA1 GLY 11 -13.815 5.350 1.290 82 HA3 GLY 11 HA2 GLY 11 -13.114 4.483 2.642 83 H ASP 12 HN ASP 12 -12.149 6.312 0.192 84 HA ASP 12 HA ASP 12 -10.509 4.937 -1.428 85 HB2 ASP 12 HB2 ASP 12 -10.710 7.662 -0.399 86 HB3 ASP 12 HB3 ASP 12 -9.024 7.234 -0.609 87 HD2 ASP 12 HD2 ASP 12 -9.215 6.246 -3.689 88 H VAL 13 HN VAL 13 -8.181 4.373 -1.320 89 HA VAL 13 HA VAL 13 -7.226 4.086 1.446 90 HB VAL 13 HB VAL 13 -7.187 2.254 -0.923 91 HG11 VAL 13 HG11 VAL 13 -5.503 0.888 0.564 92 HG12 VAL 13 HG12 VAL 13 -4.907 2.144 -0.547 93 HG13 VAL 13 HG13 VAL 13 -5.065 2.495 1.191 94 HG21 VAL 13 HG21 VAL 13 -7.372 0.928 1.596 95 HG22 VAL 13 HG22 VAL 13 -8.460 2.336 1.638 96 HG23 VAL 13 HG23 VAL 13 -8.626 1.122 0.347 97 H LYS 14 HN LYS 14 -6.087 6.065 1.501 98 HA LYS 14 HA LYS 14 -4.429 6.905 -0.606 99 HB2 LYS 14 HB2 LYS 14 -5.376 7.940 1.820 100 HB3 LYS 14 HB3 LYS 14 -3.636 7.889 2.015 101 HG2 LYS 14 HG2 LYS 14 -3.953 8.835 -0.608 102 HG3 LYS 14 HG3 LYS 14 -5.274 9.601 0.252 103 HD2 LYS 14 HD2 LYS 14 -2.375 9.645 1.213 104 HD3 LYS 14 HD3 LYS 14 -3.102 10.924 0.262 105 HE2 LYS 14 HE2 LYS 14 -4.969 10.893 2.159 106 HE3 LYS 14 HE3 LYS 14 -3.731 10.091 3.106 107 HZ1 LYS 14 HZ1 LYS 14 -3.913 12.748 2.897 108 HZ2 LYS 14 HZ2 LYS 14 -2.506 11.993 3.216 109 H PHE 15 HN PHE 15 -2.187 6.724 -0.937 110 HA PHE 15 HA PHE 15 -0.706 5.074 0.930 111 HB2 PHE 15 HB2 PHE 15 -1.823 3.559 -0.787 112 HB3 PHE 15 HB3 PHE 15 -1.093 4.503 -2.070 113 HD1 PHE 15 HD2 PHE 15 0.616 3.531 1.061 114 HD2 PHE 15 HD1 PHE 15 0.176 2.786 -3.093 115 HE1 PHE 15 HE2 PHE 15 2.635 2.042 1.115 116 HE2 PHE 15 HE1 PHE 15 2.196 1.297 -3.039 117 HZ PHE 15 HZ PHE 15 3.401 0.942 -0.936 118 HA PRO 16 HA PRO 16 1.974 8.460 -0.257 119 HB2 PRO 16 HB2 PRO 16 3.712 7.181 1.812 120 HB3 PRO 16 HB3 PRO 16 3.012 8.830 1.736 121 HG2 PRO 16 HG2 PRO 16 2.104 6.950 3.505 122 HG3 PRO 16 HG3 PRO 16 1.158 8.278 2.757 123 HD2 PRO 16 HD2 PRO 16 1.331 5.319 2.019 124 HD3 PRO 16 HD3 PRO 16 -0.106 6.385 2.072 125 H HIS 17 HN HIS 17 2.543 7.632 -2.393 126 HA HIS 17 HA HIS 17 4.172 5.333 -2.616 127 HB2 HIS 17 HB2 HIS 17 2.568 6.270 -4.339 128 HB3 HIS 17 HB3 HIS 17 3.753 7.519 -4.668 129 HD1 HIS 17 HD1 HIS 17 5.607 6.956 -6.292 130 HD2 HIS 17 HD2 HIS 17 3.553 3.557 -4.940 131 HE1 HIS 17 HE1 HIS 17 6.475 4.997 -7.678 132 H LYS 18 HN LYS 18 4.830 8.877 -3.117 133 HA LYS 18 HA LYS 18 7.571 8.573 -3.460 134 HB2 LYS 18 HB2 LYS 18 6.241 10.569 -4.085 135 HB3 LYS 18 HB3 LYS 18 6.038 10.961 -2.389 136 HG2 LYS 18 HG2 LYS 18 7.966 12.157 -2.594 137 HG3 LYS 18 HG3 LYS 18 8.790 10.611 -2.557 138 HD2 LYS 18 HD2 LYS 18 7.710 11.378 -5.230 139 HD3 LYS 18 HD3 LYS 18 8.973 12.431 -4.625 140 HE2 LYS 18 HE2 LYS 18 10.510 10.893 -5.269 141 HE3 LYS 18 HE3 LYS 18 9.878 9.797 -4.056 142 HZ1 LYS 18 HZ1 LYS 18 8.698 10.033 -6.771 143 HZ2 LYS 18 HZ2 LYS 18 9.815 8.913 -6.382 144 H ALA 19 HN ALA 19 5.553 8.995 -0.512 145 HA ALA 19 HA ALA 19 7.678 9.358 1.266 146 HB1 ALA 19 HB1 ALA 19 5.950 9.611 2.682 147 HB2 ALA 19 HB2 ALA 19 4.862 9.222 1.328 148 HB3 ALA 19 HB3 ALA 19 5.421 7.932 2.419 149 H HIS 20 HN HIS 20 5.864 6.384 0.248 150 HA HIS 20 HA HIS 20 7.405 4.666 1.835 151 HB2 HIS 20 HB2 HIS 20 5.468 4.372 -0.424 152 HB3 HIS 20 HB3 HIS 20 6.475 2.995 -0.023 153 HD1 HIS 20 HD1 HIS 20 3.917 5.320 1.595 154 HD2 HIS 20 HD2 HIS 20 5.653 1.547 2.183 155 HE1 HIS 20 HE1 HIS 20 2.627 4.230 3.508 156 H GLN 21 HN GLN 21 8.158 6.464 -0.991 157 HA GLN 21 HA GLN 21 10.003 4.539 -2.016 158 HB2 GLN 21 HB2 GLN 21 9.399 7.435 -2.744 159 HB3 GLN 21 HB3 GLN 21 10.622 6.485 -3.565 160 HG2 GLN 21 HG2 GLN 21 8.021 5.080 -3.325 161 HG3 GLN 21 HG3 GLN 21 7.916 6.572 -4.238 162 HE21 GLN 21 HE21 GLN 21 7.736 5.854 -6.255 163 HE22 GLN 21 HE22 GLN 21 8.892 4.878 -7.097 164 H LYS 22 HN LYS 22 9.959 6.799 0.547 165 HA LYS 22 HA LYS 22 12.874 7.109 0.425 166 HB2 LYS 22 HB2 LYS 22 10.916 9.026 0.763 167 HB3 LYS 22 HB3 LYS 22 11.404 8.700 2.413 168 HG2 LYS 22 HG2 LYS 22 13.843 8.784 1.013 169 HG3 LYS 22 HG3 LYS 22 12.894 10.048 0.256 170 HD2 LYS 22 HD2 LYS 22 12.316 10.777 2.721 171 HD3 LYS 22 HD3 LYS 22 13.687 9.785 3.176 172 HE2 LYS 22 HE2 LYS 22 14.918 11.676 2.788 173 HE3 LYS 22 HE3 LYS 22 14.788 11.221 1.101 174 HZ1 LYS 22 HZ1 LYS 22 14.016 13.439 1.236 175 HZ2 LYS 22 HZ2 LYS 22 12.644 12.571 1.109 176 H ALA 23 HN ALA 23 10.194 5.543 2.019 177 HA ALA 23 HA ALA 23 11.728 5.020 4.419 178 HB1 ALA 23 HB1 ALA 23 9.544 5.227 5.060 179 HB2 ALA 23 HB2 ALA 23 8.919 4.716 3.474 180 HB3 ALA 23 HB3 ALA 23 9.491 3.499 4.639 181 H VAL 24 HN VAL 24 10.395 3.265 1.548 182 HA VAL 24 HA VAL 24 12.171 1.037 2.267 183 HB VAL 24 HB VAL 24 9.620 1.075 0.641 184 HG11 VAL 24 HG11 VAL 24 10.595 -0.727 -0.329 185 HG12 VAL 24 HG12 VAL 24 11.753 -0.957 1.003 186 HG13 VAL 24 HG13 VAL 24 10.080 -1.544 1.166 187 HG21 VAL 24 HG21 VAL 24 9.691 -0.616 3.026 188 HG22 VAL 24 HG22 VAL 24 9.915 1.109 3.404 189 HG23 VAL 24 HG23 VAL 24 8.476 0.575 2.502 190 HA PRO 25 HA PRO 25 14.512 2.865 -1.105 191 HB2 PRO 25 HB2 PRO 25 16.238 0.512 -0.349 192 HB3 PRO 25 HB3 PRO 25 16.642 2.251 -0.519 193 HG2 PRO 25 HG2 PRO 25 16.409 1.159 2.002 194 HG3 PRO 25 HG3 PRO 25 15.958 2.789 1.406 195 HD2 PRO 25 HD2 PRO 25 14.210 0.315 1.874 196 HD3 PRO 25 HD3 PRO 25 13.915 2.005 2.385 197 H ASP 26 HN ASP 26 14.844 -0.763 -0.784 198 HA ASP 26 HA ASP 26 14.831 -1.176 -3.480 199 HB2 ASP 26 HB2 ASP 26 15.479 -2.852 -1.739 200 HB3 ASP 26 HB3 ASP 26 13.799 -3.015 -1.268 201 HD2 ASP 26 HD2 ASP 26 13.477 -5.623 -2.843 202 H CYS 27 HN CYS 27 13.171 -1.114 -5.016 203 HA CYS 27 HA CYS 27 10.482 -0.717 -4.014 204 HB2 CYS 27 HB2 CYS 27 11.604 -0.467 -6.813 205 HB3 CYS 27 HB3 CYS 27 9.956 -0.101 -6.344 206 H LYS 28 HN LYS 28 12.599 -3.099 -5.510 207 HA LYS 28 HA LYS 28 10.855 -4.672 -6.908 208 HB2 LYS 28 HB2 LYS 28 13.214 -5.501 -5.191 209 HB3 LYS 28 HB3 LYS 28 12.428 -6.528 -6.374 210 HG2 LYS 28 HG2 LYS 28 12.872 -4.307 -7.916 211 HG3 LYS 28 HG3 LYS 28 14.214 -4.163 -6.799 212 HD2 LYS 28 HD2 LYS 28 14.092 -6.922 -7.551 213 HD3 LYS 28 HD3 LYS 28 13.892 -6.001 -9.029 214 HE2 LYS 28 HE2 LYS 28 16.001 -4.865 -7.310 215 HE3 LYS 28 HE3 LYS 28 16.324 -6.539 -7.715 216 HZ1 LYS 28 HZ1 LYS 28 16.632 -6.006 -9.891 217 HZ2 LYS 28 HZ2 LYS 28 15.423 -4.916 -9.944 218 H LYS 29 HN LYS 29 10.969 -4.016 -3.470 219 HA LYS 29 HA LYS 29 9.718 -6.366 -2.579 220 HB2 LYS 29 HB2 LYS 29 9.971 -3.578 -1.439 221 HB3 LYS 29 HB3 LYS 29 9.125 -4.859 -0.596 222 HG2 LYS 29 HG2 LYS 29 11.998 -5.118 -1.595 223 HG3 LYS 29 HG3 LYS 29 11.585 -4.603 0.028 224 HD2 LYS 29 HD2 LYS 29 10.118 -7.037 -0.644 225 HD3 LYS 29 HD3 LYS 29 11.830 -7.277 -0.930 226 HE2 LYS 29 HE2 LYS 29 11.821 -5.923 1.513 227 HE3 LYS 29 HE3 LYS 29 10.382 -6.916 1.632 228 HZ1 LYS 29 HZ1 LYS 29 12.240 -8.203 2.391 229 HZ2 LYS 29 HZ2 LYS 29 11.818 -8.840 0.953 230 H CYS 30 HN CYS 30 8.576 -3.481 -4.251 231 HA CYS 30 HA CYS 30 5.835 -4.427 -3.822 232 HB2 CYS 30 HB2 CYS 30 6.860 -1.627 -4.379 233 HB3 CYS 30 HB3 CYS 30 5.168 -2.073 -4.468 234 H HIS 31 HN HIS 31 8.361 -3.280 -6.106 235 HA HIS 31 HA HIS 31 6.631 -4.140 -8.306 236 HB2 HIS 31 HB2 HIS 31 8.955 -2.194 -8.288 237 HB3 HIS 31 HB3 HIS 31 8.109 -2.721 -9.730 238 HD1 HIS 31 HD1 HIS 31 5.314 -2.257 -9.522 239 HD2 HIS 31 HD2 HIS 31 7.940 0.124 -7.280 240 HE1 HIS 31 HE1 HIS 31 4.015 -0.150 -8.902 241 H GLU 32 HN GLU 32 7.369 -6.367 -7.407 242 HA GLU 32 HA GLU 32 10.019 -7.120 -7.659 243 HB2 GLU 32 HB2 GLU 32 9.081 -9.463 -7.685 244 HB3 GLU 32 HB3 GLU 32 8.480 -8.470 -6.372 245 HG2 GLU 32 HG2 GLU 32 6.410 -9.126 -7.081 246 HG3 GLU 32 HG3 GLU 32 6.614 -7.911 -8.327 247 HE2 GLU 32 HE2 GLU 32 5.295 -10.169 -9.795 248 H LYS 33 HN LYS 33 7.281 -7.089 -9.989 249 HA LYS 33 HA LYS 33 9.032 -8.206 -12.034 250 HB2 LYS 33 HB2 LYS 33 7.117 -8.743 -13.231 251 HB3 LYS 33 HB3 LYS 33 6.618 -8.989 -11.569 252 HG2 LYS 33 HG2 LYS 33 4.917 -7.531 -11.909 253 HG3 LYS 33 HG3 LYS 33 6.097 -6.247 -12.085 254 HD2 LYS 33 HD2 LYS 33 6.328 -7.032 -14.560 255 HD3 LYS 33 HD3 LYS 33 4.869 -7.962 -14.281 256 HE2 LYS 33 HE2 LYS 33 3.518 -6.086 -14.185 257 HE3 LYS 33 HE3 LYS 33 4.738 -5.112 -13.389 258 HZ1 LYS 33 HZ1 LYS 33 4.185 -5.309 -16.177 259 HZ2 LYS 33 HZ2 LYS 33 5.105 -4.211 -15.403 260 H GLY 34 HN GLY 34 9.801 -5.671 -10.996 261 HA2 GLY 34 HA1 GLY 34 10.618 -3.768 -11.920 262 HA3 GLY 34 HA2 GLY 34 9.836 -4.163 -13.438 263 HA PRO 35 HA PRO 35 7.784 -0.605 -10.920 264 HB2 PRO 35 HB2 PRO 35 8.238 1.268 -12.944 265 HB3 PRO 35 HB3 PRO 35 9.320 0.994 -11.539 266 HG2 PRO 35 HG2 PRO 35 9.624 -0.202 -14.313 267 HG3 PRO 35 HG3 PRO 35 10.918 0.582 -13.350 268 HD2 PRO 35 HD2 PRO 35 10.712 -2.080 -13.300 269 HD3 PRO 35 HD3 PRO 35 10.869 -1.224 -11.736 270 H GLY 36 HN GLY 36 5.733 0.503 -11.668 271 HA2 GLY 36 HA1 GLY 36 4.238 0.779 -13.589 272 HA3 GLY 36 HA2 GLY 36 4.601 -0.878 -14.030 273 H LYS 37 HN LYS 37 2.080 -0.847 -13.892 274 HA LYS 37 HA LYS 37 0.907 -0.757 -11.325 275 HB2 LYS 37 HB2 LYS 37 -1.076 -1.146 -12.414 276 HB3 LYS 37 HB3 LYS 37 -0.120 -0.471 -13.717 277 HG2 LYS 37 HG2 LYS 37 -0.396 -3.468 -13.194 278 HG3 LYS 37 HG3 LYS 37 -1.391 -2.583 -14.333 279 HD2 LYS 37 HD2 LYS 37 0.921 -1.778 -15.341 280 HD3 LYS 37 HD3 LYS 37 1.586 -3.145 -14.468 281 HE2 LYS 37 HE2 LYS 37 0.444 -4.725 -15.776 282 HE3 LYS 37 HE3 LYS 37 -0.863 -3.623 -16.165 283 HZ1 LYS 37 HZ1 LYS 37 0.267 -2.864 -17.955 284 HZ2 LYS 37 HZ2 LYS 37 1.689 -2.740 -17.172 285 H ILE 38 HN ILE 38 -0.263 -2.697 -10.340 286 HA ILE 38 HA ILE 38 1.515 -5.028 -10.543 287 HB ILE 38 HB ILE 38 0.007 -3.985 -8.143 288 HG12 ILE 38 HG12 ILE 38 3.001 -4.116 -8.377 289 HG13 ILE 38 HG13 ILE 38 2.135 -2.757 -9.065 290 HG21 ILE 38 HG21 ILE 38 1.002 -6.595 -8.739 291 HG22 ILE 38 HG22 ILE 38 2.004 -5.884 -7.451 292 HG23 ILE 38 HG23 ILE 38 0.239 -5.997 -7.246 293 HD11 ILE 38 HD11 ILE 38 1.230 -2.105 -6.946 294 HD12 ILE 38 HD12 ILE 38 1.649 -3.667 -6.203 295 HD13 ILE 38 HD13 ILE 38 2.933 -2.509 -6.623 296 H GLU 39 HN GLU 39 0.292 -6.023 -12.219 297 HA GLU 39 HA GLU 39 -2.470 -6.267 -12.092 298 HB2 GLU 39 HB2 GLU 39 -2.030 -8.204 -13.746 299 HB3 GLU 39 HB3 GLU 39 -1.471 -6.609 -14.212 300 HG2 GLU 39 HG2 GLU 39 0.801 -7.126 -13.771 301 HG3 GLU 39 HG3 GLU 39 0.398 -8.450 -12.696 302 HE2 GLU 39 HE2 GLU 39 1.965 -8.763 -15.485 303 H GLY 40 HN GLY 40 -3.424 -7.120 -10.261 304 HA2 GLY 40 HA1 GLY 40 -4.062 -9.472 -9.610 305 HA3 GLY 40 HA2 GLY 40 -2.357 -9.692 -9.269 306 H PHE 41 HN PHE 41 -2.780 -6.487 -8.591 307 HA PHE 41 HA PHE 41 -2.582 -6.828 -5.840 308 HB2 PHE 41 HB2 PHE 41 -1.856 -4.845 -7.251 309 HB3 PHE 41 HB3 PHE 41 -3.537 -4.469 -7.574 310 HD1 PHE 41 HD2 PHE 41 -1.188 -4.902 -4.709 311 HD2 PHE 41 HD1 PHE 41 -4.622 -2.928 -6.230 312 HE1 PHE 41 HE2 PHE 41 -1.257 -3.447 -2.665 313 HE2 PHE 41 HE1 PHE 41 -4.691 -1.473 -4.186 314 HZ PHE 41 HZ PHE 41 -3.008 -1.750 -2.428 315 H GLY 42 HN GLY 42 -4.126 -5.651 -4.230 316 HA2 GLY 42 HA1 GLY 42 -6.597 -4.978 -4.238 317 HA3 GLY 42 HA2 GLY 42 -6.851 -6.620 -4.795 318 H LYS 43 HN LYS 43 -8.127 -6.100 -2.507 319 HA LYS 43 HA LYS 43 -7.064 -6.040 -0.100 320 HB2 LYS 43 HB2 LYS 43 -8.826 -7.996 0.391 321 HB3 LYS 43 HB3 LYS 43 -9.301 -6.345 0.052 322 HG2 LYS 43 HG2 LYS 43 -10.148 -6.864 -2.028 323 HG3 LYS 43 HG3 LYS 43 -8.881 -8.025 -2.373 324 HD2 LYS 43 HD2 LYS 43 -10.962 -9.257 -2.161 325 HD3 LYS 43 HD3 LYS 43 -9.977 -9.641 -0.763 326 HE2 LYS 43 HE2 LYS 43 -11.358 -7.423 0.155 327 HE3 LYS 43 HE3 LYS 43 -12.547 -8.139 -0.915 328 HZ1 LYS 43 HZ1 LYS 43 -11.270 -9.391 1.438 329 HZ2 LYS 43 HZ2 LYS 43 -12.860 -9.215 1.136 330 H GLU 44 HN GLU 44 -6.834 -8.837 -2.342 331 HA GLU 44 HA GLU 44 -5.955 -10.795 -0.835 332 HB2 GLU 44 HB2 GLU 44 -5.063 -9.799 -3.531 333 HB3 GLU 44 HB3 GLU 44 -4.154 -11.112 -2.808 334 HG2 GLU 44 HG2 GLU 44 -5.821 -12.619 -3.191 335 HG3 GLU 44 HG3 GLU 44 -7.049 -11.549 -2.544 336 HE2 GLU 44 HE2 GLU 44 -8.337 -10.389 -4.796 337 H MET 45 HN MET 45 -3.412 -8.719 -2.384 338 HA MET 45 HA MET 45 -1.586 -9.414 -0.346 339 HB2 MET 45 HB2 MET 45 -1.425 -8.509 -2.963 340 HB3 MET 45 HB3 MET 45 -1.043 -7.035 -2.095 341 HG2 MET 45 HG2 MET 45 0.648 -8.494 -0.732 342 HG3 MET 45 HG3 MET 45 0.425 -9.700 -1.983 343 HE1 MET 45 HE1 MET 45 1.542 -9.367 -4.578 344 HE2 MET 45 HE2 MET 45 -0.034 -8.550 -4.448 345 HE3 MET 45 HE3 MET 45 1.344 -7.712 -5.203 346 H ALA 46 HN ALA 46 -3.388 -6.405 -1.251 347 HA ALA 46 HA ALA 46 -2.322 -4.611 0.455 348 HB1 ALA 46 HB1 ALA 46 -5.210 -4.420 0.551 349 HB2 ALA 46 HB2 ALA 46 -4.047 -3.420 -0.353 350 HB3 ALA 46 HB3 ALA 46 -4.689 -4.914 -1.078 351 H HIS 47 HN HIS 47 -4.183 -7.505 1.251 352 HA HIS 47 HA HIS 47 -4.390 -6.600 4.015 353 HB2 HIS 47 HB2 HIS 47 -5.668 -8.934 2.565 354 HB3 HIS 47 HB3 HIS 47 -5.865 -8.602 4.274 355 HD1 HIS 47 HD1 HIS 47 -8.289 -8.613 2.310 356 HD2 HIS 47 HD2 HIS 47 -6.174 -5.179 3.464 357 HE1 HIS 47 HE1 HIS 47 -9.874 -6.645 1.957 358 H GLY 48 HN GLY 48 -3.418 -9.543 2.108 359 HA2 GLY 48 HA1 GLY 48 -2.133 -10.866 4.198 360 HA3 GLY 48 HA2 GLY 48 -1.836 -11.091 2.486 361 H LYS 49 HN LYS 49 0.421 -11.223 2.498 362 HA LYS 49 HA LYS 49 1.946 -9.278 3.958 363 HB2 LYS 49 HB2 LYS 49 2.714 -11.550 2.108 364 HB3 LYS 49 HB3 LYS 49 3.878 -10.505 2.897 365 HG2 LYS 49 HG2 LYS 49 1.728 -11.947 4.496 366 HG3 LYS 49 HG3 LYS 49 3.231 -12.746 4.078 367 HD2 LYS 49 HD2 LYS 49 4.025 -10.215 5.071 368 HD3 LYS 49 HD3 LYS 49 2.722 -10.712 6.131 369 HE2 LYS 49 HE2 LYS 49 4.284 -13.053 5.760 370 HE3 LYS 49 HE3 LYS 49 5.453 -11.761 5.942 371 HZ1 LYS 49 HZ1 LYS 49 4.410 -12.908 8.041 372 HZ2 LYS 49 HZ2 LYS 49 4.718 -11.310 8.073 373 H GLY 50 HN GLY 50 0.363 -7.730 2.475 374 HA2 GLY 50 HA1 GLY 50 1.950 -7.011 0.086 375 HA3 GLY 50 HA2 GLY 50 0.237 -6.709 0.297 376 H CYS 51 HN CYS 51 -0.241 -5.450 2.544 377 HA CYS 51 HA CYS 51 1.729 -3.282 2.661 378 HB2 CYS 51 HB2 CYS 51 -1.249 -2.952 3.039 379 HB3 CYS 51 HB3 CYS 51 -0.034 -1.692 2.953 380 H LYS 52 HN LYS 52 -1.020 -4.955 4.362 381 HA LYS 52 HA LYS 52 -0.387 -3.982 6.902 382 HB2 LYS 52 HB2 LYS 52 -1.756 -6.617 6.359 383 HB3 LYS 52 HB3 LYS 52 -1.996 -5.518 7.702 384 HG2 LYS 52 HG2 LYS 52 -2.556 -3.853 5.572 385 HG3 LYS 52 HG3 LYS 52 -3.092 -5.393 4.930 386 HD2 LYS 52 HD2 LYS 52 -3.968 -4.201 7.605 387 HD3 LYS 52 HD3 LYS 52 -4.923 -4.192 6.136 388 HE2 LYS 52 HE2 LYS 52 -5.161 -6.592 6.145 389 HE3 LYS 52 HE3 LYS 52 -3.888 -6.794 7.332 390 HZ1 LYS 52 HZ1 LYS 52 -6.387 -6.810 8.069 391 HZ2 LYS 52 HZ2 LYS 52 -5.278 -6.108 9.033 392 H GLY 53 HN GLY 53 0.977 -6.559 4.907 393 HA2 GLY 53 HA1 GLY 53 2.193 -8.062 6.968 394 HA3 GLY 53 HA2 GLY 53 2.632 -8.039 5.271 395 H CYS 54 HN CYS 54 3.268 -5.251 4.955 396 HA CYS 54 HA CYS 54 5.817 -5.271 6.318 397 HB2 CYS 54 HB2 CYS 54 5.255 -4.725 3.759 398 HB3 CYS 54 HB3 CYS 54 5.068 -3.104 4.397 399 H HIS 55 HN HIS 55 3.017 -4.662 7.547 400 HA HIS 55 HA HIS 55 3.739 -2.018 8.587 401 HB2 HIS 55 HB2 HIS 55 1.048 -3.187 7.892 402 HB3 HIS 55 HB3 HIS 55 1.191 -1.899 9.072 403 HD1 HIS 55 HD1 HIS 55 -0.394 -1.007 6.806 404 HD2 HIS 55 HD2 HIS 55 3.796 -0.952 6.607 405 HE1 HIS 55 HE1 HIS 55 0.213 0.656 4.968 406 H GLU 56 HN GLU 56 1.531 -4.773 9.470 407 HA GLU 56 HA GLU 56 1.700 -4.420 12.149 408 HB2 GLU 56 HB2 GLU 56 0.909 -6.580 10.314 409 HB3 GLU 56 HB3 GLU 56 1.503 -7.202 11.841 410 HG2 GLU 56 HG2 GLU 56 -0.057 -5.507 13.000 411 HG3 GLU 56 HG3 GLU 56 -0.764 -5.204 11.425 412 HE2 GLU 56 HE2 GLU 56 -0.903 -8.368 10.738 413 H GLU 57 HN GLU 57 3.880 -6.319 9.989 414 HA GLU 57 HA GLU 57 5.358 -7.663 11.747 415 HB2 GLU 57 HB2 GLU 57 5.876 -6.387 9.116 416 HB3 GLU 57 HB3 GLU 57 7.324 -6.725 10.042 417 HG2 GLU 57 HG2 GLU 57 5.530 -9.002 10.236 418 HG3 GLU 57 HG3 GLU 57 5.724 -8.574 8.548 419 HE2 GLU 57 HE2 GLU 57 8.581 -10.593 10.154 420 H MET 58 HN MET 58 5.636 -4.147 10.982 421 HA MET 58 HA MET 58 7.641 -3.939 13.070 422 HB2 MET 58 HB2 MET 58 6.623 -1.947 10.967 423 HB3 MET 58 HB3 MET 58 7.896 -1.586 12.116 424 HG2 MET 58 HG2 MET 58 8.567 -4.087 10.844 425 HG3 MET 58 HG3 MET 58 8.108 -2.962 9.581 426 HE1 MET 58 HE1 MET 58 11.069 -1.137 8.918 427 HE2 MET 58 HE2 MET 58 11.067 -2.910 8.756 428 HE3 MET 58 HE3 MET 58 9.577 -1.986 8.449 429 H LYS 59 HN LYS 59 4.266 -3.599 12.556 430 HA LYS 59 HA LYS 59 2.625 -2.845 13.824 431 HB2 LYS 59 HB2 LYS 59 4.735 -2.386 15.954 432 HB3 LYS 59 HB3 LYS 59 3.002 -2.414 16.209 433 HG2 LYS 59 HG2 LYS 59 4.514 -4.766 14.990 434 HG3 LYS 59 HG3 LYS 59 4.267 -4.601 16.718 435 HD2 LYS 59 HD2 LYS 59 1.704 -4.230 15.931 436 HD3 LYS 59 HD3 LYS 59 2.251 -5.166 14.554 437 HE2 LYS 59 HE2 LYS 59 3.307 -6.706 16.526 438 HE3 LYS 59 HE3 LYS 59 1.985 -5.997 17.432 439 HZ1 LYS 59 HZ1 LYS 59 1.671 -8.139 15.894 440 HZ2 LYS 59 HZ2 LYS 59 0.450 -7.098 16.169 441 H LYS 60 HN LYS 60 3.529 -1.168 11.865 442 HA LYS 60 HA LYS 60 2.901 1.392 13.041 443 HB2 LYS 60 HB2 LYS 60 5.595 0.747 11.884 444 HB3 LYS 60 HB3 LYS 60 4.919 2.343 11.630 445 HG2 LYS 60 HG2 LYS 60 4.423 1.901 14.346 446 HG3 LYS 60 HG3 LYS 60 5.975 1.121 14.112 447 HD2 LYS 60 HD2 LYS 60 6.816 3.236 12.994 448 HD3 LYS 60 HD3 LYS 60 5.286 4.004 13.371 449 HE2 LYS 60 HE2 LYS 60 6.227 4.610 15.354 450 HE3 LYS 60 HE3 LYS 60 6.044 2.937 15.840 451 HZ1 LYS 60 HZ1 LYS 60 8.273 2.483 15.014 452 HZ2 LYS 60 HZ2 LYS 60 8.444 3.999 14.446 453 H GLY 61 HN GLY 61 1.398 2.337 11.770 454 HA2 GLY 61 HA1 GLY 61 0.974 3.147 9.494 455 HA3 GLY 61 HA2 GLY 61 1.352 1.535 8.920 456 HA PRO 62 HA PRO 62 -3.275 2.096 9.718 457 HB2 PRO 62 HB2 PRO 62 -4.025 1.514 7.122 458 HB3 PRO 62 HB3 PRO 62 -3.600 3.163 7.685 459 HG2 PRO 62 HG2 PRO 62 -1.906 1.226 6.288 460 HG3 PRO 62 HG3 PRO 62 -2.083 2.966 5.887 461 HD2 PRO 62 HD2 PRO 62 0.033 2.104 7.333 462 HD3 PRO 62 HD3 PRO 62 -0.816 3.601 7.823 463 H THR 63 HN THR 63 -3.404 0.174 10.993 464 HA THR 63 HA THR 63 -3.191 -2.329 9.455 465 HB THR 63 HB THR 63 -2.833 -3.278 11.837 466 HG1 THR 63 HG1 THR 63 -2.202 -0.481 12.341 467 HG21 THR 63 HG21 THR 63 -0.941 -1.340 10.472 468 HG22 THR 63 HG22 THR 63 -0.523 -1.964 12.086 469 HG23 THR 63 HG23 THR 63 -0.753 -3.091 10.728 470 H LYS 64 HN LYS 64 -5.400 -0.101 10.689 471 HA LYS 64 HA LYS 64 -7.354 -2.209 11.252 472 HB2 LYS 64 HB2 LYS 64 -7.418 0.756 11.892 473 HB3 LYS 64 HB3 LYS 64 -8.678 -0.395 12.286 474 HG2 LYS 64 HG2 LYS 64 -5.805 -0.825 13.194 475 HG3 LYS 64 HG3 LYS 64 -6.917 0.157 14.126 476 HD2 LYS 64 HD2 LYS 64 -8.279 -2.291 13.431 477 HD3 LYS 64 HD3 LYS 64 -6.699 -2.719 14.056 478 HE2 LYS 64 HE2 LYS 64 -7.097 -1.388 16.101 479 HE3 LYS 64 HE3 LYS 64 -8.625 -0.811 15.465 480 HZ1 LYS 64 HZ1 LYS 64 -9.494 -2.616 16.473 481 HZ2 LYS 64 HZ2 LYS 64 -8.841 -3.531 15.295 482 H CYS 65 HN CYS 65 -9.632 -1.737 10.409 483 HA CYS 65 HA CYS 65 -9.377 -1.263 7.600 484 HB2 CYS 65 HB2 CYS 65 -12.066 -1.591 8.788 485 HB3 CYS 65 HB3 CYS 65 -11.354 -2.336 7.371 486 H GLY 66 HN GLY 66 -9.776 0.651 10.385 487 HA2 GLY 66 HA1 GLY 66 -11.511 2.628 9.089 488 HA3 GLY 66 HA2 GLY 66 -11.009 2.595 10.768 489 H GLU 67 HN GLU 67 -8.271 1.800 8.981 490 HA GLU 67 HA GLU 67 -7.420 4.580 9.077 491 HB2 GLU 67 HB2 GLU 67 -6.269 2.446 10.292 492 HB3 GLU 67 HB3 GLU 67 -5.431 2.357 8.755 493 HG2 GLU 67 HG2 GLU 67 -4.056 4.026 9.427 494 HG3 GLU 67 HG3 GLU 67 -5.426 5.117 9.477 495 HE2 GLU 67 HE2 GLU 67 -4.423 3.222 12.885 496 H CYS 68 HN CYS 68 -7.431 1.590 7.060 497 HA CYS 68 HA CYS 68 -6.262 3.034 4.856 498 HB2 CYS 68 HB2 CYS 68 -6.867 0.184 5.471 499 HB3 CYS 68 HB3 CYS 68 -6.929 0.644 3.781 500 H HIS 69 HN HIS 69 -9.331 1.234 5.636 501 HA HIS 69 HA HIS 69 -10.604 2.454 3.352 502 HB2 HIS 69 HB2 HIS 69 -11.627 0.484 5.417 503 HB3 HIS 69 HB3 HIS 69 -12.531 1.033 4.019 504 HD1 HIS 69 HD1 HIS 69 -11.182 0.535 1.602 505 HD2 HIS 69 HD2 HIS 69 -10.204 -1.799 4.948 506 HE1 HIS 69 HE1 HIS 69 -10.041 -1.563 0.703 507 H LYS 70 HN LYS 70 -10.299 4.691 4.207 508 HA LYS 70 HA LYS 70 -12.671 5.522 5.530 509 HB2 LYS 70 HB2 LYS 70 -11.100 4.694 7.410 510 HB3 LYS 70 HB3 LYS 70 -10.141 6.120 7.064 511 HG2 LYS 70 HG2 LYS 70 -11.620 7.480 8.127 512 HG3 LYS 70 HG3 LYS 70 -12.973 6.830 7.223 513 HD2 LYS 70 HD2 LYS 70 -13.610 5.472 8.941 514 HD3 LYS 70 HD3 LYS 70 -11.976 4.895 9.203 515 HE2 LYS 70 HE2 LYS 70 -12.229 7.695 10.037 516 HE3 LYS 70 HE3 LYS 70 -13.428 6.701 10.839 517 HZ1 LYS 70 HZ1 LYS 70 -11.780 5.997 12.172 518 HZ2 LYS 70 HZ2 LYS 70 -11.053 5.260 10.914 519 H LYS 71 HN LYS 71 -12.752 6.526 3.394 520 HA LYS 71 HA LYS 71 -10.845 8.126 2.295 521 HB2 LYS 71 HB2 LYS 71 -12.470 8.757 0.836 522 HB3 LYS 71 HB3 LYS 71 -13.295 7.395 1.566 523 HG2 LYS 71 HG2 LYS 71 -14.975 8.902 1.950 524 HG3 LYS 71 HG3 LYS 71 -14.003 9.377 3.329 525 HD2 LYS 71 HD2 LYS 71 -12.829 11.069 1.810 526 HD3 LYS 71 HD3 LYS 71 -13.997 10.674 0.565 527 HE2 LYS 71 HE2 LYS 71 -15.850 11.471 1.917 528 HE3 LYS 71 HE3 LYS 71 -14.847 11.580 3.350 529 HZ1 LYS 71 HZ1 LYS 71 -15.298 13.697 1.908 530 HZ2 LYS 71 HZ2 LYS 71 -13.823 13.489 2.566 Start of MODEL 16 1 H1 ALA 1 HN ALA 1 0.869 14.098 -9.995 2 HA ALA 1 HA ALA 1 2.310 15.191 -8.723 3 HB1 ALA 1 HB1 ALA 1 0.231 15.677 -7.426 4 HB2 ALA 1 HB2 ALA 1 0.572 14.263 -6.400 5 HB3 ALA 1 HB3 ALA 1 1.689 15.649 -6.406 6 H ASP 2 HN ASP 2 1.469 12.514 -6.421 7 HA ASP 2 HA ASP 2 3.804 11.086 -7.056 8 HB2 ASP 2 HB2 ASP 2 3.935 11.990 -4.211 9 HB3 ASP 2 HB3 ASP 2 5.241 11.622 -5.320 10 HD2 ASP 2 HD2 ASP 2 3.961 14.949 -4.201 11 H ASP 3 HN ASP 3 1.288 11.991 -4.622 12 HA ASP 3 HA ASP 3 1.276 9.621 -3.222 13 HB2 ASP 3 HB2 ASP 3 0.065 11.905 -2.789 14 HB3 ASP 3 HB3 ASP 3 -1.219 11.265 -3.796 15 HD2 ASP 3 HD2 ASP 3 -0.908 10.924 -0.137 16 H ILE 4 HN ILE 4 -1.197 8.419 -3.252 17 HA ILE 4 HA ILE 4 -2.125 7.975 -5.924 18 HB ILE 4 HB ILE 4 -0.504 5.874 -4.495 19 HG12 ILE 4 HG12 ILE 4 -0.265 7.344 -7.116 20 HG13 ILE 4 HG13 ILE 4 0.915 7.187 -5.830 21 HG21 ILE 4 HG21 ILE 4 -1.628 4.987 -7.006 22 HG22 ILE 4 HG22 ILE 4 -1.681 4.224 -5.398 23 HG23 ILE 4 HG23 ILE 4 -2.914 5.424 -5.855 24 HD11 ILE 4 HD11 ILE 4 0.319 5.350 -8.069 25 HD12 ILE 4 HD12 ILE 4 1.802 5.513 -7.098 26 HD13 ILE 4 HD13 ILE 4 0.447 4.530 -6.494 27 H VAL 5 HN VAL 5 -4.262 7.386 -5.878 28 HA VAL 5 HA VAL 5 -5.291 6.596 -3.240 29 HB VAL 5 HB VAL 5 -6.804 8.151 -5.331 30 HG11 VAL 5 HG11 VAL 5 -8.223 8.775 -3.415 31 HG12 VAL 5 HG12 VAL 5 -8.153 7.010 -3.637 32 HG13 VAL 5 HG13 VAL 5 -7.207 7.783 -2.342 33 HG21 VAL 5 HG21 VAL 5 -6.280 10.205 -4.124 34 HG22 VAL 5 HG22 VAL 5 -5.245 9.302 -2.992 35 HG23 VAL 5 HG23 VAL 5 -4.785 9.433 -4.706 36 H PHE 6 HN PHE 6 -6.605 4.794 -3.151 37 HA PHE 6 HA PHE 6 -7.109 3.510 -5.744 38 HB2 PHE 6 HB2 PHE 6 -6.527 2.447 -2.917 39 HB3 PHE 6 HB3 PHE 6 -7.038 1.399 -4.226 40 HD1 PHE 6 HD2 PHE 6 -5.548 1.068 -6.193 41 HD2 PHE 6 HD1 PHE 6 -4.274 3.212 -2.760 42 HE1 PHE 6 HE2 PHE 6 -3.158 0.801 -6.913 43 HE2 PHE 6 HE1 PHE 6 -1.885 2.945 -3.480 44 HZ PHE 6 HZ PHE 6 -1.355 1.743 -5.548 45 H LYS 7 HN LYS 7 -9.236 3.968 -6.213 46 HA LYS 7 HA LYS 7 -11.229 4.580 -4.489 47 HB2 LYS 7 HB2 LYS 7 -11.145 3.326 -7.207 48 HB3 LYS 7 HB3 LYS 7 -12.681 3.381 -6.365 49 HG2 LYS 7 HG2 LYS 7 -11.528 5.955 -5.988 50 HG3 LYS 7 HG3 LYS 7 -11.216 5.552 -7.664 51 HD2 LYS 7 HD2 LYS 7 -13.342 6.384 -7.963 52 HD3 LYS 7 HD3 LYS 7 -13.808 4.751 -7.532 53 HE2 LYS 7 HE2 LYS 7 -13.476 6.970 -5.464 54 HE3 LYS 7 HE3 LYS 7 -15.004 6.632 -6.253 55 HZ1 LYS 7 HZ1 LYS 7 -14.254 4.179 -5.402 56 HZ2 LYS 7 HZ2 LYS 7 -13.660 5.106 -4.202 57 H ALA 8 HN ALA 8 -12.460 3.563 -2.974 58 HA ALA 8 HA ALA 8 -12.483 0.641 -3.006 59 HB1 ALA 8 HB1 ALA 8 -12.228 1.838 -0.319 60 HB2 ALA 8 HB2 ALA 8 -11.418 0.416 -1.019 61 HB3 ALA 8 HB3 ALA 8 -10.787 2.049 -1.343 62 H LYS 9 HN LYS 9 -14.359 -0.274 -1.969 63 HA LYS 9 HA LYS 9 -16.585 1.569 -2.010 64 HB2 LYS 9 HB2 LYS 9 -16.701 -1.403 -1.485 65 HB3 LYS 9 HB3 LYS 9 -17.961 -0.355 -2.104 66 HG2 LYS 9 HG2 LYS 9 -16.139 0.110 -4.033 67 HG3 LYS 9 HG3 LYS 9 -15.537 -1.454 -3.522 68 HD2 LYS 9 HD2 LYS 9 -18.169 -2.082 -3.678 69 HD3 LYS 9 HD3 LYS 9 -18.158 -0.757 -4.825 70 HE2 LYS 9 HE2 LYS 9 -16.093 -2.985 -4.996 71 HE3 LYS 9 HE3 LYS 9 -17.680 -3.172 -5.716 72 HZ1 LYS 9 HZ1 LYS 9 -16.593 -0.656 -6.444 73 HZ2 LYS 9 HZ2 LYS 9 -15.519 -1.824 -6.813 74 H ASN 10 HN ASN 10 -14.309 1.301 0.170 75 HA ASN 10 HA ASN 10 -16.221 1.478 2.340 76 HB2 ASN 10 HB2 ASN 10 -14.860 -0.809 2.178 77 HB3 ASN 10 HB3 ASN 10 -13.527 0.146 2.797 78 HD21 ASN 10 HD21 ASN 10 -14.967 -2.063 4.013 79 HD22 ASN 10 HD22 ASN 10 -15.611 -1.504 5.520 80 H GLY 11 HN GLY 11 -14.448 3.269 0.517 81 HA2 GLY 11 HA1 GLY 11 -13.784 5.435 1.302 82 HA3 GLY 11 HA2 GLY 11 -13.051 4.682 2.704 83 H ASP 12 HN ASP 12 -12.110 6.346 0.160 84 HA ASP 12 HA ASP 12 -10.492 4.825 -1.386 85 HB2 ASP 12 HB2 ASP 12 -10.675 7.649 -0.570 86 HB3 ASP 12 HB3 ASP 12 -9.019 7.187 -0.910 87 HD2 ASP 12 HD2 ASP 12 -11.594 8.247 -3.403 88 H VAL 13 HN VAL 13 -8.349 3.976 -1.156 89 HA VAL 13 HA VAL 13 -7.290 4.099 1.575 90 HB VAL 13 HB VAL 13 -7.240 2.069 -0.627 91 HG11 VAL 13 HG11 VAL 13 -5.043 2.642 1.277 92 HG12 VAL 13 HG12 VAL 13 -5.551 0.939 1.178 93 HG13 VAL 13 HG13 VAL 13 -5.019 1.795 -0.289 94 HG21 VAL 13 HG21 VAL 13 -7.662 1.791 2.366 95 HG22 VAL 13 HG22 VAL 13 -8.967 2.016 1.178 96 HG23 VAL 13 HG23 VAL 13 -7.951 0.557 1.117 97 H LYS 14 HN LYS 14 -6.168 6.084 1.454 98 HA LYS 14 HA LYS 14 -4.517 6.743 -0.727 99 HB2 LYS 14 HB2 LYS 14 -5.485 7.994 1.590 100 HB3 LYS 14 HB3 LYS 14 -3.744 7.990 1.783 101 HG2 LYS 14 HG2 LYS 14 -4.050 8.676 -0.909 102 HG3 LYS 14 HG3 LYS 14 -5.419 9.472 -0.159 103 HD2 LYS 14 HD2 LYS 14 -2.740 9.720 1.203 104 HD3 LYS 14 HD3 LYS 14 -2.986 10.629 -0.275 105 HE2 LYS 14 HE2 LYS 14 -5.252 10.803 1.650 106 HE3 LYS 14 HE3 LYS 14 -3.750 11.480 2.248 107 HZ1 LYS 14 HZ1 LYS 14 -5.139 13.075 0.949 108 HZ2 LYS 14 HZ2 LYS 14 -3.639 12.919 0.336 109 H PHE 15 HN PHE 15 -2.280 6.539 -1.043 110 HA PHE 15 HA PHE 15 -0.816 5.044 0.979 111 HB2 PHE 15 HB2 PHE 15 -1.799 3.400 -0.656 112 HB3 PHE 15 HB3 PHE 15 -1.174 4.340 -1.996 113 HD1 PHE 15 HD1 PHE 15 0.578 3.425 1.153 114 HD2 PHE 15 HD2 PHE 15 0.289 2.852 -3.042 115 HE1 PHE 15 HE1 PHE 15 2.694 2.075 1.192 116 HE2 PHE 15 HE2 PHE 15 2.405 1.502 -3.003 117 HZ PHE 15 HZ PHE 15 3.582 1.130 -0.887 118 HA PRO 16 HA PRO 16 1.909 8.368 -0.225 119 HB2 PRO 16 HB2 PRO 16 3.643 7.111 1.855 120 HB3 PRO 16 HB3 PRO 16 2.919 8.750 1.778 121 HG2 PRO 16 HG2 PRO 16 2.041 6.842 3.540 122 HG3 PRO 16 HG3 PRO 16 1.076 8.167 2.811 123 HD2 PRO 16 HD2 PRO 16 1.278 5.219 2.041 124 HD3 PRO 16 HD3 PRO 16 -0.169 6.269 2.108 125 H HIS 17 HN HIS 17 2.556 7.604 -2.341 126 HA HIS 17 HA HIS 17 4.120 5.266 -2.585 127 HB2 HIS 17 HB2 HIS 17 2.602 6.323 -4.325 128 HB3 HIS 17 HB3 HIS 17 3.853 7.522 -4.583 129 HD1 HIS 17 HD1 HIS 17 5.518 6.962 -6.361 130 HD2 HIS 17 HD2 HIS 17 3.689 3.536 -4.774 131 HE1 HIS 17 HE1 HIS 17 6.394 4.989 -7.721 132 H LYS 18 HN LYS 18 4.889 8.808 -2.869 133 HA LYS 18 HA LYS 18 7.646 8.400 -3.138 134 HB2 LYS 18 HB2 LYS 18 6.406 10.446 -3.810 135 HB3 LYS 18 HB3 LYS 18 6.159 10.840 -2.121 136 HG2 LYS 18 HG2 LYS 18 8.848 10.478 -2.056 137 HG3 LYS 18 HG3 LYS 18 8.690 10.923 -3.743 138 HD2 LYS 18 HD2 LYS 18 7.158 12.638 -1.835 139 HD3 LYS 18 HD3 LYS 18 8.901 12.735 -1.683 140 HE2 LYS 18 HE2 LYS 18 7.447 13.029 -4.352 141 HE3 LYS 18 HE3 LYS 18 7.848 14.393 -3.328 142 HZ1 LYS 18 HZ1 LYS 18 9.884 14.348 -4.240 143 HZ2 LYS 18 HZ2 LYS 18 10.175 12.882 -3.592 144 H ALA 19 HN ALA 19 5.591 9.217 -0.264 145 HA ALA 19 HA ALA 19 7.570 9.417 1.606 146 HB1 ALA 19 HB1 ALA 19 5.246 7.964 2.613 147 HB2 ALA 19 HB2 ALA 19 5.778 9.628 2.953 148 HB3 ALA 19 HB3 ALA 19 4.767 9.291 1.528 149 H HIS 20 HN HIS 20 5.963 6.451 0.311 150 HA HIS 20 HA HIS 20 7.377 4.725 2.043 151 HB2 HIS 20 HB2 HIS 20 5.586 4.441 -0.329 152 HB3 HIS 20 HB3 HIS 20 6.601 3.075 0.087 153 HD1 HIS 20 HD1 HIS 20 3.862 5.265 1.573 154 HD2 HIS 20 HD2 HIS 20 5.743 1.579 2.261 155 HE1 HIS 20 HE1 HIS 20 2.510 4.102 3.398 156 H GLN 21 HN GLN 21 8.166 6.446 -0.885 157 HA GLN 21 HA GLN 21 10.144 4.605 -1.740 158 HB2 GLN 21 HB2 GLN 21 9.508 7.486 -2.493 159 HB3 GLN 21 HB3 GLN 21 10.822 6.591 -3.230 160 HG2 GLN 21 HG2 GLN 21 8.224 5.132 -3.170 161 HG3 GLN 21 HG3 GLN 21 8.212 6.589 -4.143 162 HE21 GLN 21 HE21 GLN 21 8.426 6.046 -6.174 163 HE22 GLN 21 HE22 GLN 21 9.588 4.954 -6.851 164 H LYS 22 HN LYS 22 9.924 6.863 0.820 165 HA LYS 22 HA LYS 22 12.828 7.254 0.847 166 HB2 LYS 22 HB2 LYS 22 10.819 9.097 1.132 167 HB3 LYS 22 HB3 LYS 22 11.167 8.712 2.805 168 HG2 LYS 22 HG2 LYS 22 13.717 8.919 1.616 169 HG3 LYS 22 HG3 LYS 22 12.795 10.203 0.859 170 HD2 LYS 22 HD2 LYS 22 12.016 10.822 3.273 171 HD3 LYS 22 HD3 LYS 22 13.306 9.774 3.828 172 HE2 LYS 22 HE2 LYS 22 14.813 11.185 2.159 173 HE3 LYS 22 HE3 LYS 22 13.517 12.361 2.260 174 HZ1 LYS 22 HZ1 LYS 22 15.417 11.585 4.308 175 HZ2 LYS 22 HZ2 LYS 22 14.659 13.011 4.099 176 H ALA 23 HN ALA 23 10.071 5.712 2.432 177 HA ALA 23 HA ALA 23 11.566 5.107 4.814 178 HB1 ALA 23 HB1 ALA 23 9.084 3.606 4.195 179 HB2 ALA 23 HB2 ALA 23 9.533 4.525 5.652 180 HB3 ALA 23 HB3 ALA 23 8.905 5.377 4.220 181 H VAL 24 HN VAL 24 10.325 3.338 1.903 182 HA VAL 24 HA VAL 24 12.072 1.111 2.663 183 HB VAL 24 HB VAL 24 9.738 1.268 0.744 184 HG11 VAL 24 HG11 VAL 24 11.261 -1.189 1.669 185 HG12 VAL 24 HG12 VAL 24 9.934 -1.120 0.484 186 HG13 VAL 24 HG13 VAL 24 11.509 -0.383 0.101 187 HG21 VAL 24 HG21 VAL 24 9.493 1.333 3.401 188 HG22 VAL 24 HG22 VAL 24 8.373 0.412 2.368 189 HG23 VAL 24 HG23 VAL 24 9.703 -0.424 3.207 190 HA PRO 25 HA PRO 25 14.732 2.324 -0.635 191 HB2 PRO 25 HB2 PRO 25 16.539 0.308 -0.403 192 HB3 PRO 25 HB3 PRO 25 16.334 1.536 0.888 193 HG2 PRO 25 HG2 PRO 25 15.179 -1.403 0.997 194 HG3 PRO 25 HG3 PRO 25 16.041 -0.191 1.998 195 HD2 PRO 25 HD2 PRO 25 13.173 -0.610 1.722 196 HD3 PRO 25 HD3 PRO 25 14.000 0.676 2.652 197 H ASP 26 HN ASP 26 15.350 -1.143 -0.945 198 HA ASP 26 HA ASP 26 15.016 -1.281 -3.564 199 HB2 ASP 26 HB2 ASP 26 15.815 -3.152 -2.152 200 HB3 ASP 26 HB3 ASP 26 14.201 -3.391 -1.511 201 HD2 ASP 26 HD2 ASP 26 14.505 -5.516 -2.273 202 H CYS 27 HN CYS 27 13.277 -1.059 -4.992 203 HA CYS 27 HA CYS 27 10.652 -0.773 -3.847 204 HB2 CYS 27 HB2 CYS 27 11.628 -0.456 -6.694 205 HB3 CYS 27 HB3 CYS 27 10.000 -0.115 -6.142 206 H LYS 28 HN LYS 28 12.667 -3.172 -5.402 207 HA LYS 28 HA LYS 28 10.873 -4.696 -6.796 208 HB2 LYS 28 HB2 LYS 28 13.296 -5.473 -5.157 209 HB3 LYS 28 HB3 LYS 28 12.417 -6.614 -6.155 210 HG2 LYS 28 HG2 LYS 28 12.996 -4.127 -7.618 211 HG3 LYS 28 HG3 LYS 28 14.462 -4.866 -7.005 212 HD2 LYS 28 HD2 LYS 28 13.562 -7.097 -7.989 213 HD3 LYS 28 HD3 LYS 28 12.374 -6.123 -8.832 214 HE2 LYS 28 HE2 LYS 28 13.896 -5.445 -10.384 215 HE3 LYS 28 HE3 LYS 28 15.049 -4.971 -9.152 216 HZ1 LYS 28 HZ1 LYS 28 14.682 -7.838 -9.716 217 HZ2 LYS 28 HZ2 LYS 28 15.603 -6.951 -10.725 218 H LYS 29 HN LYS 29 11.029 -4.054 -3.360 219 HA LYS 29 HA LYS 29 9.761 -6.381 -2.448 220 HB2 LYS 29 HB2 LYS 29 9.961 -3.577 -1.324 221 HB3 LYS 29 HB3 LYS 29 9.200 -4.901 -0.465 222 HG2 LYS 29 HG2 LYS 29 12.071 -4.948 -1.510 223 HG3 LYS 29 HG3 LYS 29 11.627 -4.574 0.143 224 HD2 LYS 29 HD2 LYS 29 10.290 -6.931 -0.127 225 HD3 LYS 29 HD3 LYS 29 11.568 -7.211 -1.292 226 HE2 LYS 29 HE2 LYS 29 12.323 -6.117 1.423 227 HE3 LYS 29 HE3 LYS 29 11.897 -7.812 1.301 228 HZ1 LYS 29 HZ1 LYS 29 13.884 -6.617 -0.538 229 HZ2 LYS 29 HZ2 LYS 29 14.330 -7.201 0.916 230 H CYS 30 HN CYS 30 8.613 -3.469 -4.095 231 HA CYS 30 HA CYS 30 5.876 -4.428 -3.681 232 HB2 CYS 30 HB2 CYS 30 6.901 -1.628 -4.236 233 HB3 CYS 30 HB3 CYS 30 5.209 -2.073 -4.327 234 H HIS 31 HN HIS 31 8.418 -3.329 -5.960 235 HA HIS 31 HA HIS 31 6.685 -4.196 -8.158 236 HB2 HIS 31 HB2 HIS 31 8.977 -2.212 -8.176 237 HB3 HIS 31 HB3 HIS 31 8.097 -2.743 -9.595 238 HD1 HIS 31 HD1 HIS 31 5.266 -2.369 -9.184 239 HD2 HIS 31 HD2 HIS 31 8.006 0.155 -7.256 240 HE1 HIS 31 HE1 HIS 31 3.975 -0.260 -8.555 241 H GLU 32 HN GLU 32 7.407 -6.424 -7.395 242 HA GLU 32 HA GLU 32 10.066 -7.159 -7.524 243 HB2 GLU 32 HB2 GLU 32 9.146 -9.497 -7.745 244 HB3 GLU 32 HB3 GLU 32 8.450 -8.581 -6.423 245 HG2 GLU 32 HG2 GLU 32 6.444 -9.227 -7.314 246 HG3 GLU 32 HG3 GLU 32 6.709 -7.913 -8.443 247 HE2 GLU 32 HE2 GLU 32 5.404 -10.130 -9.893 248 H LYS 33 HN LYS 33 7.475 -7.069 -10.026 249 HA LYS 33 HA LYS 33 9.379 -8.031 -12.006 250 HB2 LYS 33 HB2 LYS 33 7.520 -8.415 -13.411 251 HB3 LYS 33 HB3 LYS 33 7.035 -8.954 -11.816 252 HG2 LYS 33 HG2 LYS 33 5.409 -7.354 -11.631 253 HG3 LYS 33 HG3 LYS 33 6.442 -6.093 -12.275 254 HD2 LYS 33 HD2 LYS 33 6.064 -7.523 -14.558 255 HD3 LYS 33 HD3 LYS 33 4.584 -7.955 -13.726 256 HE2 LYS 33 HE2 LYS 33 4.394 -5.345 -13.271 257 HE3 LYS 33 HE3 LYS 33 5.527 -5.210 -14.601 258 HZ1 LYS 33 HZ1 LYS 33 3.764 -6.879 -15.678 259 HZ2 LYS 33 HZ2 LYS 33 2.753 -6.105 -14.663 260 H GLY 34 HN GLY 34 10.068 -5.560 -10.813 261 HA2 GLY 34 HA1 GLY 34 10.888 -3.588 -11.561 262 HA3 GLY 34 HA2 GLY 34 10.239 -3.923 -13.154 263 HA PRO 35 HA PRO 35 7.919 -0.647 -10.315 264 HB2 PRO 35 HB2 PRO 35 9.087 1.082 -12.512 265 HB3 PRO 35 HB3 PRO 35 8.835 1.419 -10.768 266 HG2 PRO 35 HG2 PRO 35 11.351 0.785 -11.676 267 HG3 PRO 35 HG3 PRO 35 10.541 0.403 -10.121 268 HD2 PRO 35 HD2 PRO 35 11.079 -1.355 -12.552 269 HD3 PRO 35 HD3 PRO 35 11.148 -1.778 -10.814 270 H GLY 36 HN GLY 36 5.833 0.189 -10.992 271 HA2 GLY 36 HA1 GLY 36 4.705 0.833 -13.212 272 HA3 GLY 36 HA2 GLY 36 5.005 -0.844 -13.622 273 H LYS 37 HN LYS 37 2.654 -1.138 -13.783 274 HA LYS 37 HA LYS 37 1.108 -0.794 -11.386 275 HB2 LYS 37 HB2 LYS 37 -0.730 -1.125 -12.712 276 HB3 LYS 37 HB3 LYS 37 0.406 -0.524 -13.902 277 HG2 LYS 37 HG2 LYS 37 -0.063 -3.491 -13.347 278 HG3 LYS 37 HG3 LYS 37 -0.862 -2.601 -14.627 279 HD2 LYS 37 HD2 LYS 37 1.633 -1.917 -15.295 280 HD3 LYS 37 HD3 LYS 37 2.058 -3.346 -14.375 281 HE2 LYS 37 HE2 LYS 37 1.456 -4.681 -16.107 282 HE3 LYS 37 HE3 LYS 37 -0.172 -4.034 -16.073 283 HZ1 LYS 37 HZ1 LYS 37 1.784 -2.271 -17.284 284 HZ2 LYS 37 HZ2 LYS 37 1.536 -3.652 -18.110 285 H ILE 38 HN ILE 38 -0.207 -2.672 -10.501 286 HA ILE 38 HA ILE 38 1.463 -5.090 -10.532 287 HB ILE 38 HB ILE 38 -0.064 -3.849 -8.242 288 HG12 ILE 38 HG12 ILE 38 2.913 -4.330 -8.450 289 HG13 ILE 38 HG13 ILE 38 2.170 -2.832 -8.974 290 HG21 ILE 38 HG21 ILE 38 0.499 -6.571 -8.703 291 HG22 ILE 38 HG22 ILE 38 1.672 -6.015 -7.485 292 HG23 ILE 38 HG23 ILE 38 -0.072 -5.806 -7.200 293 HD11 ILE 38 HD11 ILE 38 2.177 -2.102 -6.834 294 HD12 ILE 38 HD12 ILE 38 1.073 -3.428 -6.395 295 HD13 ILE 38 HD13 ILE 38 2.834 -3.664 -6.289 296 H GLU 39 HN GLU 39 0.264 -6.030 -12.262 297 HA GLU 39 HA GLU 39 -2.523 -6.123 -12.216 298 HB2 GLU 39 HB2 GLU 39 -0.329 -7.497 -13.743 299 HB3 GLU 39 HB3 GLU 39 -1.925 -8.218 -13.810 300 HG2 GLU 39 HG2 GLU 39 -2.608 -5.610 -14.234 301 HG3 GLU 39 HG3 GLU 39 -0.981 -5.582 -14.887 302 HE2 GLU 39 HE2 GLU 39 -0.830 -6.354 -16.945 303 H GLY 40 HN GLY 40 -3.573 -6.999 -10.456 304 HA2 GLY 40 HA1 GLY 40 -4.313 -9.331 -9.871 305 HA3 GLY 40 HA2 GLY 40 -2.627 -9.633 -9.503 306 H PHE 41 HN PHE 41 -2.775 -6.481 -8.702 307 HA PHE 41 HA PHE 41 -2.688 -6.886 -5.982 308 HB2 PHE 41 HB2 PHE 41 -1.848 -4.884 -7.233 309 HB3 PHE 41 HB3 PHE 41 -3.481 -4.475 -7.721 310 HD1 PHE 41 HD1 PHE 41 -5.101 -3.641 -6.019 311 HD2 PHE 41 HD2 PHE 41 -1.001 -4.237 -5.103 312 HE1 PHE 41 HE1 PHE 41 -5.345 -2.191 -3.984 313 HE2 PHE 41 HE2 PHE 41 -1.245 -2.788 -3.068 314 HZ PHE 41 HZ PHE 41 -3.414 -1.782 -2.533 315 H GLY 42 HN GLY 42 -4.176 -5.947 -4.283 316 HA2 GLY 42 HA1 GLY 42 -6.675 -5.123 -4.374 317 HA3 GLY 42 HA2 GLY 42 -6.914 -6.786 -4.873 318 H LYS 43 HN LYS 43 -8.170 -6.074 -2.572 319 HA LYS 43 HA LYS 43 -7.090 -5.971 -0.185 320 HB2 LYS 43 HB2 LYS 43 -8.898 -7.871 0.387 321 HB3 LYS 43 HB3 LYS 43 -9.328 -6.215 0.011 322 HG2 LYS 43 HG2 LYS 43 -10.263 -6.775 -2.008 323 HG3 LYS 43 HG3 LYS 43 -8.986 -7.909 -2.399 324 HD2 LYS 43 HD2 LYS 43 -11.183 -9.054 -2.096 325 HD3 LYS 43 HD3 LYS 43 -9.987 -9.626 -0.950 326 HE2 LYS 43 HE2 LYS 43 -10.932 -8.275 0.843 327 HE3 LYS 43 HE3 LYS 43 -11.968 -7.406 -0.272 328 HZ1 LYS 43 HZ1 LYS 43 -12.939 -9.396 1.051 329 HZ2 LYS 43 HZ2 LYS 43 -13.350 -9.252 -0.518 330 H GLU 44 HN GLU 44 -7.019 -8.903 -2.276 331 HA GLU 44 HA GLU 44 -6.134 -10.783 -0.670 332 HB2 GLU 44 HB2 GLU 44 -5.198 -10.014 -3.447 333 HB3 GLU 44 HB3 GLU 44 -4.523 -11.421 -2.650 334 HG2 GLU 44 HG2 GLU 44 -7.029 -12.099 -2.211 335 HG3 GLU 44 HG3 GLU 44 -7.409 -10.921 -3.452 336 HE2 GLU 44 HE2 GLU 44 -6.497 -12.148 -5.979 337 H MET 45 HN MET 45 -3.722 -8.663 -2.391 338 HA MET 45 HA MET 45 -1.735 -9.386 -0.502 339 HB2 MET 45 HB2 MET 45 -1.425 -8.808 -3.006 340 HB3 MET 45 HB3 MET 45 -1.698 -7.130 -2.580 341 HG2 MET 45 HG2 MET 45 0.410 -6.888 -1.729 342 HG3 MET 45 HG3 MET 45 0.311 -8.385 -0.823 343 HE1 MET 45 HE1 MET 45 2.220 -6.619 -3.289 344 HE2 MET 45 HE2 MET 45 2.411 -7.642 -4.733 345 HE3 MET 45 HE3 MET 45 0.855 -6.839 -4.411 346 H ALA 46 HN ALA 46 -3.623 -6.391 -1.269 347 HA ALA 46 HA ALA 46 -2.434 -4.631 0.429 348 HB1 ALA 46 HB1 ALA 46 -5.402 -4.575 0.403 349 HB2 ALA 46 HB2 ALA 46 -4.229 -3.327 -0.082 350 HB3 ALA 46 HB3 ALA 46 -4.631 -4.653 -1.199 351 H HIS 47 HN HIS 47 -4.276 -7.519 1.201 352 HA HIS 47 HA HIS 47 -4.485 -6.640 3.976 353 HB2 HIS 47 HB2 HIS 47 -5.801 -8.935 2.499 354 HB3 HIS 47 HB3 HIS 47 -5.980 -8.631 4.215 355 HD1 HIS 47 HD1 HIS 47 -8.431 -8.582 2.304 356 HD2 HIS 47 HD2 HIS 47 -6.242 -5.187 3.436 357 HE1 HIS 47 HE1 HIS 47 -9.992 -6.588 1.991 358 H GLY 48 HN GLY 48 -3.499 -9.514 1.980 359 HA2 GLY 48 HA1 GLY 48 -2.261 -10.939 4.027 360 HA3 GLY 48 HA2 GLY 48 -1.915 -11.071 2.314 361 H LYS 49 HN LYS 49 0.341 -11.198 2.383 362 HA LYS 49 HA LYS 49 1.804 -9.292 3.970 363 HB2 LYS 49 HB2 LYS 49 3.773 -10.511 3.157 364 HB3 LYS 49 HB3 LYS 49 2.581 -11.586 3.858 365 HG2 LYS 49 HG2 LYS 49 2.022 -12.545 1.809 366 HG3 LYS 49 HG3 LYS 49 2.363 -11.084 0.903 367 HD2 LYS 49 HD2 LYS 49 4.869 -11.512 1.561 368 HD3 LYS 49 HD3 LYS 49 4.339 -13.130 1.974 369 HE2 LYS 49 HE2 LYS 49 4.971 -13.396 -0.276 370 HE3 LYS 49 HE3 LYS 49 3.243 -13.143 -0.421 371 HZ1 LYS 49 HZ1 LYS 49 3.984 -10.644 -0.595 372 HZ2 LYS 49 HZ2 LYS 49 5.411 -11.273 -1.065 373 H GLY 50 HN GLY 50 0.239 -7.776 2.381 374 HA2 GLY 50 HA1 GLY 50 1.941 -7.011 0.091 375 HA3 GLY 50 HA2 GLY 50 0.221 -6.706 0.241 376 H CYS 51 HN CYS 51 -0.343 -5.463 2.470 377 HA CYS 51 HA CYS 51 1.600 -3.274 2.639 378 HB2 CYS 51 HB2 CYS 51 -1.381 -3.033 3.060 379 HB3 CYS 51 HB3 CYS 51 -0.203 -1.737 2.991 380 H LYS 52 HN LYS 52 -1.158 -4.905 4.380 381 HA LYS 52 HA LYS 52 -0.429 -4.005 6.913 382 HB2 LYS 52 HB2 LYS 52 -1.882 -6.595 6.365 383 HB3 LYS 52 HB3 LYS 52 -2.060 -5.512 7.730 384 HG2 LYS 52 HG2 LYS 52 -2.732 -3.731 5.869 385 HG3 LYS 52 HG3 LYS 52 -3.040 -5.150 4.888 386 HD2 LYS 52 HD2 LYS 52 -5.078 -4.349 6.130 387 HD3 LYS 52 HD3 LYS 52 -4.660 -6.011 6.497 388 HE2 LYS 52 HE2 LYS 52 -3.333 -4.042 8.281 389 HE3 LYS 52 HE3 LYS 52 -5.082 -4.004 8.383 390 HZ1 LYS 52 HZ1 LYS 52 -4.470 -5.672 9.883 391 HZ2 LYS 52 HZ2 LYS 52 -4.856 -6.558 8.571 392 H GLY 53 HN GLY 53 0.926 -6.464 4.820 393 HA2 GLY 53 HA1 GLY 53 2.092 -8.120 6.794 394 HA3 GLY 53 HA2 GLY 53 2.561 -7.984 5.111 395 H CYS 54 HN CYS 54 3.343 -5.310 4.857 396 HA CYS 54 HA CYS 54 5.787 -5.384 6.392 397 HB2 CYS 54 HB2 CYS 54 5.575 -4.931 3.840 398 HB3 CYS 54 HB3 CYS 54 5.100 -3.310 4.310 399 H HIS 55 HN HIS 55 3.029 -4.756 7.561 400 HA HIS 55 HA HIS 55 3.693 -2.073 8.537 401 HB2 HIS 55 HB2 HIS 55 1.043 -3.287 7.790 402 HB3 HIS 55 HB3 HIS 55 1.121 -2.015 8.992 403 HD1 HIS 55 HD1 HIS 55 -0.419 -1.041 6.775 404 HD2 HIS 55 HD2 HIS 55 3.769 -1.053 6.537 405 HE1 HIS 55 HE1 HIS 55 0.198 0.641 4.958 406 H GLU 56 HN GLU 56 1.545 -4.870 9.438 407 HA GLU 56 HA GLU 56 1.669 -4.438 12.120 408 HB2 GLU 56 HB2 GLU 56 0.922 -6.658 10.326 409 HB3 GLU 56 HB3 GLU 56 1.472 -7.218 11.893 410 HG2 GLU 56 HG2 GLU 56 -0.126 -5.505 12.949 411 HG3 GLU 56 HG3 GLU 56 -0.774 -5.227 11.345 412 HE2 GLU 56 HE2 GLU 56 -2.588 -6.370 11.175 413 H GLU 57 HN GLU 57 3.849 -6.427 10.032 414 HA GLU 57 HA GLU 57 5.323 -7.697 11.844 415 HB2 GLU 57 HB2 GLU 57 5.816 -6.570 9.154 416 HB3 GLU 57 HB3 GLU 57 7.283 -6.795 10.085 417 HG2 GLU 57 HG2 GLU 57 5.838 -9.152 10.583 418 HG3 GLU 57 HG3 GLU 57 5.491 -8.818 8.898 419 HE2 GLU 57 HE2 GLU 57 9.033 -8.227 8.544 420 H MET 58 HN MET 58 5.581 -4.212 10.959 421 HA MET 58 HA MET 58 7.627 -3.919 12.991 422 HB2 MET 58 HB2 MET 58 6.494 -1.952 10.922 423 HB3 MET 58 HB3 MET 58 7.846 -1.607 11.983 424 HG2 MET 58 HG2 MET 58 8.347 -4.127 10.627 425 HG3 MET 58 HG3 MET 58 7.905 -2.924 9.433 426 HE1 MET 58 HE1 MET 58 10.757 -3.184 8.534 427 HE2 MET 58 HE2 MET 58 9.469 -1.984 8.268 428 HE3 MET 58 HE3 MET 58 11.105 -1.448 8.720 429 H LYS 59 HN LYS 59 4.224 -3.597 12.529 430 HA LYS 59 HA LYS 59 2.606 -2.854 13.835 431 HB2 LYS 59 HB2 LYS 59 4.457 -3.702 15.617 432 HB3 LYS 59 HB3 LYS 59 4.356 -2.018 16.088 433 HG2 LYS 59 HG2 LYS 59 2.641 -2.966 17.380 434 HG3 LYS 59 HG3 LYS 59 1.747 -2.385 15.990 435 HD2 LYS 59 HD2 LYS 59 0.928 -4.556 16.077 436 HD3 LYS 59 HD3 LYS 59 2.296 -4.815 15.013 437 HE2 LYS 59 HE2 LYS 59 3.392 -6.103 16.551 438 HE3 LYS 59 HE3 LYS 59 3.074 -4.974 17.853 439 HZ1 LYS 59 HZ1 LYS 59 0.949 -6.758 16.816 440 HZ2 LYS 59 HZ2 LYS 59 1.947 -7.229 18.013 441 H LYS 60 HN LYS 60 3.490 -1.180 11.852 442 HA LYS 60 HA LYS 60 2.860 1.381 13.027 443 HB2 LYS 60 HB2 LYS 60 5.572 0.679 12.089 444 HB3 LYS 60 HB3 LYS 60 4.930 2.162 11.412 445 HG2 LYS 60 HG2 LYS 60 4.673 1.650 14.389 446 HG3 LYS 60 HG3 LYS 60 6.202 2.207 13.740 447 HD2 LYS 60 HD2 LYS 60 3.816 3.709 12.764 448 HD3 LYS 60 HD3 LYS 60 4.126 3.866 14.482 449 HE2 LYS 60 HE2 LYS 60 6.252 4.321 12.336 450 HE3 LYS 60 HE3 LYS 60 5.288 5.608 13.033 451 HZ1 LYS 60 HZ1 LYS 60 7.378 4.004 14.321 452 HZ2 LYS 60 HZ2 LYS 60 7.108 5.606 14.429 453 H GLY 61 HN GLY 61 1.389 2.379 11.749 454 HA2 GLY 61 HA1 GLY 61 0.922 3.158 9.485 455 HA3 GLY 61 HA2 GLY 61 1.294 1.544 8.911 456 HA PRO 62 HA PRO 62 -3.314 2.040 9.758 457 HB2 PRO 62 HB2 PRO 62 -4.173 1.598 7.211 458 HB3 PRO 62 HB3 PRO 62 -3.575 3.204 7.741 459 HG2 PRO 62 HG2 PRO 62 -1.944 1.115 6.315 460 HG3 PRO 62 HG3 PRO 62 -2.141 2.839 5.859 461 HD2 PRO 62 HD2 PRO 62 -0.018 2.049 7.334 462 HD3 PRO 62 HD3 PRO 62 -0.886 3.550 7.776 463 H THR 63 HN THR 63 -3.398 0.076 10.976 464 HA THR 63 HA THR 63 -3.214 -2.374 9.352 465 HB THR 63 HB THR 63 -2.869 -3.349 11.778 466 HG1 THR 63 HG1 THR 63 -1.976 -0.597 12.112 467 HG21 THR 63 HG21 THR 63 -0.806 -1.447 10.545 468 HG22 THR 63 HG22 THR 63 -0.454 -2.634 11.824 469 HG23 THR 63 HG23 THR 63 -0.951 -3.189 10.208 470 H LYS 64 HN LYS 64 -5.381 -0.204 10.809 471 HA LYS 64 HA LYS 64 -7.318 -2.338 11.312 472 HB2 LYS 64 HB2 LYS 64 -7.649 0.589 11.985 473 HB3 LYS 64 HB3 LYS 64 -8.521 -0.785 12.636 474 HG2 LYS 64 HG2 LYS 64 -7.020 -0.609 14.361 475 HG3 LYS 64 HG3 LYS 64 -5.971 -1.522 13.294 476 HD2 LYS 64 HD2 LYS 64 -4.519 0.223 13.566 477 HD3 LYS 64 HD3 LYS 64 -5.514 1.031 12.370 478 HE2 LYS 64 HE2 LYS 64 -6.271 2.544 13.893 479 HE3 LYS 64 HE3 LYS 64 -6.717 1.284 15.027 480 HZ1 LYS 64 HZ1 LYS 64 -4.616 1.343 16.007 481 HZ2 LYS 64 HZ2 LYS 64 -3.872 1.988 14.710 482 H CYS 65 HN CYS 65 -9.611 -1.875 10.543 483 HA CYS 65 HA CYS 65 -9.450 -1.290 7.755 484 HB2 CYS 65 HB2 CYS 65 -12.097 -1.651 9.034 485 HB3 CYS 65 HB3 CYS 65 -11.451 -2.332 7.555 486 H GLY 66 HN GLY 66 -9.633 0.580 10.551 487 HA2 GLY 66 HA1 GLY 66 -11.433 2.595 9.389 488 HA3 GLY 66 HA2 GLY 66 -10.888 2.504 11.052 489 H GLU 67 HN GLU 67 -8.241 1.741 9.077 490 HA GLU 67 HA GLU 67 -7.352 4.511 9.243 491 HB2 GLU 67 HB2 GLU 67 -6.190 2.364 10.419 492 HB3 GLU 67 HB3 GLU 67 -5.383 2.280 8.866 493 HG2 GLU 67 HG2 GLU 67 -3.972 3.912 9.559 494 HG3 GLU 67 HG3 GLU 67 -5.322 5.029 9.568 495 HE2 GLU 67 HE2 GLU 67 -4.505 2.744 12.662 496 H CYS 68 HN CYS 68 -7.334 1.523 7.209 497 HA CYS 68 HA CYS 68 -6.226 2.987 4.996 498 HB2 CYS 68 HB2 CYS 68 -6.783 0.143 5.629 499 HB3 CYS 68 HB3 CYS 68 -6.966 0.583 3.943 500 H HIS 69 HN HIS 69 -9.304 1.251 5.863 501 HA HIS 69 HA HIS 69 -10.601 2.493 3.592 502 HB2 HIS 69 HB2 HIS 69 -11.591 0.472 5.623 503 HB3 HIS 69 HB3 HIS 69 -12.521 1.059 4.259 504 HD1 HIS 69 HD1 HIS 69 -11.166 0.653 1.808 505 HD2 HIS 69 HD2 HIS 69 -10.236 -1.826 5.061 506 HE1 HIS 69 HE1 HIS 69 -10.061 -1.428 0.828 507 H LYS 70 HN LYS 70 -10.521 4.718 4.279 508 HA LYS 70 HA LYS 70 -12.789 5.510 5.713 509 HB2 LYS 70 HB2 LYS 70 -11.069 4.656 7.535 510 HB3 LYS 70 HB3 LYS 70 -10.338 6.228 7.284 511 HG2 LYS 70 HG2 LYS 70 -12.976 6.961 7.463 512 HG3 LYS 70 HG3 LYS 70 -12.992 5.536 8.481 513 HD2 LYS 70 HD2 LYS 70 -10.876 6.563 9.627 514 HD3 LYS 70 HD3 LYS 70 -11.317 8.053 8.817 515 HE2 LYS 70 HE2 LYS 70 -13.088 8.439 10.219 516 HE3 LYS 70 HE3 LYS 70 -13.613 6.768 10.176 517 HZ1 LYS 70 HZ1 LYS 70 -11.206 7.561 11.705 518 HZ2 LYS 70 HZ2 LYS 70 -12.689 7.631 12.375 519 H LYS 71 HN LYS 71 -13.037 6.708 3.774 520 HA LYS 71 HA LYS 71 -11.239 8.193 2.454 521 HB2 LYS 71 HB2 LYS 71 -14.028 7.971 2.543 522 HB3 LYS 71 HB3 LYS 71 -13.723 9.681 2.773 523 HG2 LYS 71 HG2 LYS 71 -12.051 8.393 0.664 524 HG3 LYS 71 HG3 LYS 71 -13.769 8.420 0.319 525 HD2 LYS 71 HD2 LYS 71 -12.971 11.003 1.393 526 HD3 LYS 71 HD3 LYS 71 -11.900 10.574 0.074 527 HE2 LYS 71 HE2 LYS 71 -13.698 11.672 -1.017 528 HE3 LYS 71 HE3 LYS 71 -14.056 9.974 -1.261 529 HZ1 LYS 71 HZ1 LYS 71 -15.458 10.180 0.843 530 HZ2 LYS 71 HZ2 LYS 71 -15.311 11.796 0.706 Start of MODEL 17 1 H1 ALA 1 HN ALA 1 1.173 15.999 -7.741 2 HA ALA 1 HA ALA 1 0.523 15.116 -5.811 3 HB1 ALA 1 HB1 ALA 1 -1.494 13.299 -6.171 4 HB2 ALA 1 HB2 ALA 1 -1.742 15.054 -6.011 5 HB3 ALA 1 HB3 ALA 1 -1.679 14.307 -7.626 6 H ASP 2 HN ASP 2 2.661 14.137 -5.814 7 HA ASP 2 HA ASP 2 3.376 11.849 -7.017 8 HB2 ASP 2 HB2 ASP 2 4.095 12.342 -4.108 9 HB3 ASP 2 HB3 ASP 2 5.105 11.664 -5.369 10 HD2 ASP 2 HD2 ASP 2 5.979 14.842 -6.612 11 H ASP 3 HN ASP 3 1.116 12.355 -4.350 12 HA ASP 3 HA ASP 3 1.249 9.858 -3.171 13 HB2 ASP 3 HB2 ASP 3 0.005 12.057 -2.461 14 HB3 ASP 3 HB3 ASP 3 -1.311 11.474 -3.461 15 HD2 ASP 3 HD2 ASP 3 0.173 9.744 -0.313 16 H ILE 4 HN ILE 4 -1.208 8.611 -3.215 17 HA ILE 4 HA ILE 4 -2.211 8.399 -5.895 18 HB ILE 4 HB ILE 4 -0.552 6.201 -4.675 19 HG12 ILE 4 HG12 ILE 4 -0.378 7.896 -7.155 20 HG13 ILE 4 HG13 ILE 4 0.845 7.581 -5.941 21 HG21 ILE 4 HG21 ILE 4 -1.710 4.608 -5.706 22 HG22 ILE 4 HG22 ILE 4 -2.995 5.814 -5.954 23 HG23 ILE 4 HG23 ILE 4 -1.779 5.536 -7.223 24 HD11 ILE 4 HD11 ILE 4 0.054 5.949 -8.302 25 HD12 ILE 4 HD12 ILE 4 1.631 6.083 -7.488 26 HD13 ILE 4 HD13 ILE 4 0.370 5.023 -6.815 27 H VAL 5 HN VAL 5 -4.352 7.850 -5.836 28 HA VAL 5 HA VAL 5 -5.324 6.846 -3.250 29 HB VAL 5 HB VAL 5 -6.814 8.580 -5.223 30 HG11 VAL 5 HG11 VAL 5 -7.575 8.597 -2.380 31 HG12 VAL 5 HG12 VAL 5 -8.584 8.458 -3.839 32 HG13 VAL 5 HG13 VAL 5 -7.777 7.017 -3.174 33 HG21 VAL 5 HG21 VAL 5 -4.842 9.785 -4.350 34 HG22 VAL 5 HG22 VAL 5 -6.370 10.478 -3.755 35 HG23 VAL 5 HG23 VAL 5 -5.384 9.449 -2.688 36 H PHE 6 HN PHE 6 -6.749 5.099 -3.261 37 HA PHE 6 HA PHE 6 -7.231 3.953 -5.922 38 HB2 PHE 6 HB2 PHE 6 -6.660 2.723 -3.161 39 HB3 PHE 6 HB3 PHE 6 -7.180 1.757 -4.529 40 HD1 PHE 6 HD1 PHE 6 -5.686 1.450 -6.469 41 HD2 PHE 6 HD2 PHE 6 -4.405 3.535 -3.002 42 HE1 PHE 6 HE1 PHE 6 -3.299 1.203 -7.203 43 HE2 PHE 6 HE2 PHE 6 -2.018 3.288 -3.736 44 HZ PHE 6 HZ PHE 6 -1.493 2.125 -5.827 45 H LYS 7 HN LYS 7 -9.356 4.392 -6.384 46 HA LYS 7 HA LYS 7 -11.344 4.939 -4.613 47 HB2 LYS 7 HB2 LYS 7 -11.272 3.859 -7.405 48 HB3 LYS 7 HB3 LYS 7 -12.807 3.884 -6.561 49 HG2 LYS 7 HG2 LYS 7 -11.410 6.410 -6.136 50 HG3 LYS 7 HG3 LYS 7 -11.500 6.067 -7.852 51 HD2 LYS 7 HD2 LYS 7 -14.046 5.443 -6.540 52 HD3 LYS 7 HD3 LYS 7 -13.569 7.096 -6.207 53 HE2 LYS 7 HE2 LYS 7 -13.877 7.762 -8.383 54 HE3 LYS 7 HE3 LYS 7 -13.153 6.307 -9.037 55 HZ1 LYS 7 HZ1 LYS 7 -15.551 6.436 -9.507 56 HZ2 LYS 7 HZ2 LYS 7 -15.227 5.124 -8.597 57 H ALA 8 HN ALA 8 -12.526 3.837 -3.128 58 HA ALA 8 HA ALA 8 -12.580 0.920 -3.362 59 HB1 ALA 8 HB1 ALA 8 -11.190 0.726 -1.606 60 HB2 ALA 8 HB2 ALA 8 -11.147 2.492 -1.386 61 HB3 ALA 8 HB3 ALA 8 -12.424 1.529 -0.605 62 H LYS 9 HN LYS 9 -14.498 -0.043 -2.547 63 HA LYS 9 HA LYS 9 -16.700 1.813 -2.405 64 HB2 LYS 9 HB2 LYS 9 -16.947 -1.169 -2.114 65 HB3 LYS 9 HB3 LYS 9 -18.076 -0.025 -2.810 66 HG2 LYS 9 HG2 LYS 9 -16.028 0.405 -4.514 67 HG3 LYS 9 HG3 LYS 9 -15.589 -1.219 -4.023 68 HD2 LYS 9 HD2 LYS 9 -18.436 -1.173 -4.536 69 HD3 LYS 9 HD3 LYS 9 -17.625 -0.418 -5.893 70 HE2 LYS 9 HE2 LYS 9 -17.330 -2.571 -6.623 71 HE3 LYS 9 HE3 LYS 9 -15.979 -2.581 -5.506 72 HZ1 LYS 9 HZ1 LYS 9 -18.580 -3.224 -4.355 73 HZ2 LYS 9 HZ2 LYS 9 -17.959 -4.344 -5.361 74 H ASN 10 HN ASN 10 -14.437 1.188 -0.228 75 HA ASN 10 HA ASN 10 -16.389 1.196 1.923 76 HB2 ASN 10 HB2 ASN 10 -14.843 -1.015 1.466 77 HB3 ASN 10 HB3 ASN 10 -13.719 -0.096 2.447 78 HD21 ASN 10 HD21 ASN 10 -13.868 -1.621 4.092 79 HD22 ASN 10 HD22 ASN 10 -15.222 -1.713 5.169 80 H GLY 11 HN GLY 11 -14.483 3.101 0.275 81 HA2 GLY 11 HA1 GLY 11 -13.897 5.209 1.337 82 HA3 GLY 11 HA2 GLY 11 -13.133 4.295 2.623 83 H ASP 12 HN ASP 12 -12.237 6.271 0.305 84 HA ASP 12 HA ASP 12 -10.627 4.930 -1.433 85 HB2 ASP 12 HB2 ASP 12 -10.893 7.659 -0.380 86 HB3 ASP 12 HB3 ASP 12 -9.217 7.288 -0.733 87 HD2 ASP 12 HD2 ASP 12 -11.615 8.465 -3.432 88 H VAL 13 HN VAL 13 -8.444 4.150 -1.319 89 HA VAL 13 HA VAL 13 -7.323 4.095 1.394 90 HB VAL 13 HB VAL 13 -7.313 2.172 -0.909 91 HG11 VAL 13 HG11 VAL 13 -5.327 2.197 1.388 92 HG12 VAL 13 HG12 VAL 13 -5.567 0.850 0.251 93 HG13 VAL 13 HG13 VAL 13 -4.960 2.415 -0.340 94 HG21 VAL 13 HG21 VAL 13 -9.048 2.041 0.886 95 HG22 VAL 13 HG22 VAL 13 -8.040 0.580 0.754 96 HG23 VAL 13 HG23 VAL 13 -7.747 1.748 2.065 97 H LYS 14 HN LYS 14 -6.006 5.887 1.505 98 HA LYS 14 HA LYS 14 -4.498 6.735 -0.756 99 HB2 LYS 14 HB2 LYS 14 -5.354 7.845 1.675 100 HB3 LYS 14 HB3 LYS 14 -3.607 7.803 1.796 101 HG2 LYS 14 HG2 LYS 14 -4.129 8.655 -0.860 102 HG3 LYS 14 HG3 LYS 14 -5.302 9.509 0.123 103 HD2 LYS 14 HD2 LYS 14 -2.372 9.398 0.933 104 HD3 LYS 14 HD3 LYS 14 -2.942 10.590 -0.218 105 HE2 LYS 14 HE2 LYS 14 -3.945 11.845 1.406 106 HE3 LYS 14 HE3 LYS 14 -4.689 10.444 2.152 107 HZ1 LYS 14 HZ1 LYS 14 -2.463 11.831 3.074 108 HZ2 LYS 14 HZ2 LYS 14 -3.094 10.473 3.714 109 H PHE 15 HN PHE 15 -2.210 6.648 -1.053 110 HA PHE 15 HA PHE 15 -0.719 4.975 0.777 111 HB2 PHE 15 HB2 PHE 15 -1.871 3.489 -0.970 112 HB3 PHE 15 HB3 PHE 15 -1.075 4.413 -2.229 113 HD1 PHE 15 HD2 PHE 15 0.716 3.658 0.864 114 HD2 PHE 15 HD1 PHE 15 -0.030 2.402 -3.120 115 HE1 PHE 15 HE2 PHE 15 2.692 2.116 0.981 116 HE2 PHE 15 HE1 PHE 15 1.947 0.859 -3.003 117 HZ PHE 15 HZ PHE 15 3.284 0.734 -0.954 118 HA PRO 16 HA PRO 16 1.934 8.373 -0.445 119 HB2 PRO 16 HB2 PRO 16 3.676 7.164 1.656 120 HB3 PRO 16 HB3 PRO 16 2.933 8.793 1.556 121 HG2 PRO 16 HG2 PRO 16 2.087 6.897 3.331 122 HG3 PRO 16 HG3 PRO 16 1.083 8.197 2.610 123 HD2 PRO 16 HD2 PRO 16 1.330 5.250 1.863 124 HD3 PRO 16 HD3 PRO 16 -0.130 6.284 1.911 125 H HIS 17 HN HIS 17 2.682 7.687 -2.527 126 HA HIS 17 HA HIS 17 4.220 5.320 -2.764 127 HB2 HIS 17 HB2 HIS 17 2.738 6.378 -4.526 128 HB3 HIS 17 HB3 HIS 17 3.981 7.594 -4.748 129 HD1 HIS 17 HD1 HIS 17 5.589 7.080 -6.581 130 HD2 HIS 17 HD2 HIS 17 3.959 3.598 -4.903 131 HE1 HIS 17 HE1 HIS 17 6.537 5.128 -7.923 132 H LYS 18 HN LYS 18 4.999 8.863 -2.982 133 HA LYS 18 HA LYS 18 7.769 8.424 -3.191 134 HB2 LYS 18 HB2 LYS 18 6.514 10.467 -3.927 135 HB3 LYS 18 HB3 LYS 18 6.318 10.911 -2.243 136 HG2 LYS 18 HG2 LYS 18 9.024 10.433 -2.302 137 HG3 LYS 18 HG3 LYS 18 8.772 10.971 -3.951 138 HD2 LYS 18 HD2 LYS 18 8.913 13.085 -3.110 139 HD3 LYS 18 HD3 LYS 18 7.278 12.830 -2.533 140 HE2 LYS 18 HE2 LYS 18 8.294 11.831 -0.396 141 HE3 LYS 18 HE3 LYS 18 9.860 12.365 -0.972 142 HZ1 LYS 18 HZ1 LYS 18 8.130 14.544 -1.192 143 HZ2 LYS 18 HZ2 LYS 18 7.870 13.914 0.287 144 H ALA 19 HN ALA 19 5.643 9.372 -0.406 145 HA ALA 19 HA ALA 19 7.527 9.605 1.530 146 HB1 ALA 19 HB1 ALA 19 4.740 9.435 1.355 147 HB2 ALA 19 HB2 ALA 19 5.188 8.109 2.454 148 HB3 ALA 19 HB3 ALA 19 5.688 9.777 2.822 149 H HIS 20 HN HIS 20 6.023 6.573 0.259 150 HA HIS 20 HA HIS 20 7.380 4.905 2.069 151 HB2 HIS 20 HB2 HIS 20 5.775 4.558 -0.425 152 HB3 HIS 20 HB3 HIS 20 6.796 3.223 0.071 153 HD1 HIS 20 HD1 HIS 20 3.888 5.332 1.332 154 HD2 HIS 20 HD2 HIS 20 5.835 1.718 2.198 155 HE1 HIS 20 HE1 HIS 20 2.445 4.140 3.065 156 H GLN 21 HN GLN 21 8.246 6.474 -0.975 157 HA GLN 21 HA GLN 21 10.345 4.734 -1.615 158 HB2 GLN 21 HB2 GLN 21 9.719 7.604 -2.414 159 HB3 GLN 21 HB3 GLN 21 11.092 6.728 -3.061 160 HG2 GLN 21 HG2 GLN 21 8.476 5.277 -3.163 161 HG3 GLN 21 HG3 GLN 21 8.592 6.693 -4.189 162 HE21 GLN 21 HE21 GLN 21 9.118 6.201 -6.165 163 HE22 GLN 21 HE22 GLN 21 10.258 5.007 -6.690 164 H LYS 22 HN LYS 22 9.929 6.969 0.932 165 HA LYS 22 HA LYS 22 12.818 7.417 1.140 166 HB2 LYS 22 HB2 LYS 22 10.744 9.212 1.321 167 HB3 LYS 22 HB3 LYS 22 11.032 8.834 3.007 168 HG2 LYS 22 HG2 LYS 22 13.623 9.104 1.934 169 HG3 LYS 22 HG3 LYS 22 12.707 10.360 1.125 170 HD2 LYS 22 HD2 LYS 22 11.885 10.435 3.859 171 HD3 LYS 22 HD3 LYS 22 13.628 10.261 3.889 172 HE2 LYS 22 HE2 LYS 22 13.508 12.163 1.989 173 HE3 LYS 22 HE3 LYS 22 11.963 12.503 2.743 174 HZ1 LYS 22 HZ1 LYS 22 13.009 13.408 4.505 175 HZ2 LYS 22 HZ2 LYS 22 14.026 12.150 4.695 176 H ALA 23 HN ALA 23 9.974 5.870 2.590 177 HA ALA 23 HA ALA 23 11.386 5.234 5.019 178 HB1 ALA 23 HB1 ALA 23 9.019 5.667 5.157 179 HB2 ALA 23 HB2 ALA 23 8.670 4.483 3.874 180 HB3 ALA 23 HB3 ALA 23 9.261 3.929 5.459 181 H VAL 24 HN VAL 24 10.235 3.544 2.032 182 HA VAL 24 HA VAL 24 11.835 1.233 2.855 183 HB VAL 24 HB VAL 24 9.629 1.553 0.812 184 HG11 VAL 24 HG11 VAL 24 11.495 -0.138 0.285 185 HG12 VAL 24 HG12 VAL 24 10.871 -1.065 1.670 186 HG13 VAL 24 HG13 VAL 24 9.817 -0.730 0.276 187 HG21 VAL 24 HG21 VAL 24 9.408 -0.291 3.144 188 HG22 VAL 24 HG22 VAL 24 9.283 1.454 3.470 189 HG23 VAL 24 HG23 VAL 24 8.162 0.680 2.324 190 HA PRO 25 HA PRO 25 14.741 2.337 -0.270 191 HB2 PRO 25 HB2 PRO 25 16.464 0.296 0.031 192 HB3 PRO 25 HB3 PRO 25 16.150 1.416 1.396 193 HG2 PRO 25 HG2 PRO 25 14.830 -1.511 1.262 194 HG3 PRO 25 HG3 PRO 25 15.714 -0.355 2.310 195 HD2 PRO 25 HD2 PRO 25 12.830 -0.586 1.829 196 HD3 PRO 25 HD3 PRO 25 13.680 0.568 2.901 197 H ASP 26 HN ASP 26 15.324 -1.096 -0.686 198 HA ASP 26 HA ASP 26 15.081 -1.155 -3.307 199 HB2 ASP 26 HB2 ASP 26 15.819 -3.106 -2.068 200 HB3 ASP 26 HB3 ASP 26 14.264 -3.275 -1.278 201 HD2 ASP 26 HD2 ASP 26 15.658 -4.105 -4.601 202 H CYS 27 HN CYS 27 13.405 -1.102 -4.856 203 HA CYS 27 HA CYS 27 10.735 -0.718 -3.805 204 HB2 CYS 27 HB2 CYS 27 11.839 -0.366 -6.600 205 HB3 CYS 27 HB3 CYS 27 10.191 -0.018 -6.114 206 H LYS 28 HN LYS 28 12.799 -3.086 -5.373 207 HA LYS 28 HA LYS 28 11.046 -4.577 -6.840 208 HB2 LYS 28 HB2 LYS 28 13.436 -5.361 -5.163 209 HB3 LYS 28 HB3 LYS 28 12.566 -6.521 -6.148 210 HG2 LYS 28 HG2 LYS 28 12.905 -4.448 -7.949 211 HG3 LYS 28 HG3 LYS 28 14.360 -4.294 -6.985 212 HD2 LYS 28 HD2 LYS 28 14.911 -5.810 -8.767 213 HD3 LYS 28 HD3 LYS 28 14.749 -6.800 -7.330 214 HE2 LYS 28 HE2 LYS 28 12.386 -7.351 -7.994 215 HE3 LYS 28 HE3 LYS 28 12.582 -6.391 -9.447 216 HZ1 LYS 28 HZ1 LYS 28 14.596 -7.928 -9.871 217 HZ2 LYS 28 HZ2 LYS 28 13.932 -8.926 -8.769 218 H LYS 29 HN LYS 29 11.136 -4.050 -3.372 219 HA LYS 29 HA LYS 29 9.826 -6.379 -2.556 220 HB2 LYS 29 HB2 LYS 29 10.074 -3.605 -1.386 221 HB3 LYS 29 HB3 LYS 29 9.160 -4.866 -0.584 222 HG2 LYS 29 HG2 LYS 29 12.094 -5.080 -1.410 223 HG3 LYS 29 HG3 LYS 29 11.527 -4.762 0.218 224 HD2 LYS 29 HD2 LYS 29 11.641 -7.036 0.463 225 HD3 LYS 29 HD3 LYS 29 10.089 -7.031 -0.351 226 HE2 LYS 29 HE2 LYS 29 10.983 -8.214 -2.066 227 HE3 LYS 29 HE3 LYS 29 12.083 -6.893 -2.407 228 HZ1 LYS 29 HZ1 LYS 29 13.542 -7.849 -0.606 229 HZ2 LYS 29 HZ2 LYS 29 12.573 -9.157 -0.554 230 H CYS 30 HN CYS 30 8.705 -3.375 -4.088 231 HA CYS 30 HA CYS 30 5.961 -4.342 -3.780 232 HB2 CYS 30 HB2 CYS 30 7.043 -1.561 -4.314 233 HB3 CYS 30 HB3 CYS 30 5.348 -1.977 -4.477 234 H HIS 31 HN HIS 31 8.560 -3.297 -6.019 235 HA HIS 31 HA HIS 31 6.859 -4.168 -8.241 236 HB2 HIS 31 HB2 HIS 31 9.174 -2.210 -8.259 237 HB3 HIS 31 HB3 HIS 31 8.272 -2.728 -9.669 238 HD1 HIS 31 HD1 HIS 31 5.424 -2.351 -9.118 239 HD2 HIS 31 HD2 HIS 31 8.283 0.226 -7.451 240 HE1 HIS 31 HE1 HIS 31 4.185 -0.204 -8.514 241 H GLU 32 HN GLU 32 7.707 -6.335 -7.151 242 HA GLU 32 HA GLU 32 10.361 -7.023 -7.458 243 HB2 GLU 32 HB2 GLU 32 9.494 -9.393 -7.341 244 HB3 GLU 32 HB3 GLU 32 8.907 -8.352 -6.060 245 HG2 GLU 32 HG2 GLU 32 6.835 -9.100 -6.665 246 HG3 GLU 32 HG3 GLU 32 6.964 -7.945 -7.977 247 HE2 GLU 32 HE2 GLU 32 6.159 -10.943 -7.488 248 H LYS 33 HN LYS 33 7.552 -7.252 -9.700 249 HA LYS 33 HA LYS 33 9.263 -8.436 -11.728 250 HB2 LYS 33 HB2 LYS 33 7.274 -8.899 -12.925 251 HB3 LYS 33 HB3 LYS 33 6.936 -9.276 -11.248 252 HG2 LYS 33 HG2 LYS 33 5.483 -7.476 -10.979 253 HG3 LYS 33 HG3 LYS 33 6.337 -6.469 -12.131 254 HD2 LYS 33 HD2 LYS 33 4.946 -8.943 -13.162 255 HD3 LYS 33 HD3 LYS 33 3.958 -7.563 -12.723 256 HE2 LYS 33 HE2 LYS 33 6.175 -6.548 -14.243 257 HE3 LYS 33 HE3 LYS 33 5.566 -7.947 -15.105 258 HZ1 LYS 33 HZ1 LYS 33 3.993 -6.528 -15.847 259 HZ2 LYS 33 HZ2 LYS 33 3.295 -6.631 -14.380 260 H GLY 34 HN GLY 34 9.961 -5.791 -10.774 261 HA2 GLY 34 HA1 GLY 34 10.815 -3.976 -11.859 262 HA3 GLY 34 HA2 GLY 34 9.968 -4.431 -13.324 263 HA PRO 35 HA PRO 35 8.049 -0.782 -10.777 264 HB2 PRO 35 HB2 PRO 35 8.538 1.077 -12.809 265 HB3 PRO 35 HB3 PRO 35 9.611 0.788 -11.401 266 HG2 PRO 35 HG2 PRO 35 9.869 -0.445 -14.153 267 HG3 PRO 35 HG3 PRO 35 11.236 0.296 -13.261 268 HD2 PRO 35 HD2 PRO 35 10.969 -2.329 -13.109 269 HD3 PRO 35 HD3 PRO 35 11.099 -1.450 -11.555 270 H GLY 36 HN GLY 36 5.940 0.151 -11.364 271 HA2 GLY 36 HA1 GLY 36 4.444 0.546 -13.303 272 HA3 GLY 36 HA2 GLY 36 4.811 -1.093 -13.801 273 H LYS 37 HN LYS 37 2.228 -0.854 -13.578 274 HA LYS 37 HA LYS 37 1.100 -0.910 -11.032 275 HB2 LYS 37 HB2 LYS 37 -0.891 -1.360 -12.111 276 HB3 LYS 37 HB3 LYS 37 0.037 -0.586 -13.379 277 HG2 LYS 37 HG2 LYS 37 -0.087 -3.614 -13.011 278 HG3 LYS 37 HG3 LYS 37 -1.173 -2.732 -14.066 279 HD2 LYS 37 HD2 LYS 37 1.191 -1.731 -14.971 280 HD3 LYS 37 HD3 LYS 37 1.763 -3.280 -14.386 281 HE2 LYS 37 HE2 LYS 37 1.073 -4.117 -16.392 282 HE3 LYS 37 HE3 LYS 37 -0.551 -4.014 -15.742 283 HZ1 LYS 37 HZ1 LYS 37 -0.473 -1.606 -16.612 284 HZ2 LYS 37 HZ2 LYS 37 0.805 -2.073 -17.506 285 H ILE 38 HN ILE 38 -0.254 -3.013 -10.341 286 HA ILE 38 HA ILE 38 1.596 -5.287 -10.489 287 HB ILE 38 HB ILE 38 0.144 -4.279 -8.040 288 HG12 ILE 38 HG12 ILE 38 3.134 -4.424 -8.392 289 HG13 ILE 38 HG13 ILE 38 2.235 -3.022 -8.938 290 HG21 ILE 38 HG21 ILE 38 2.194 -6.283 -7.599 291 HG22 ILE 38 HG22 ILE 38 0.499 -6.241 -7.059 292 HG23 ILE 38 HG23 ILE 38 0.905 -6.890 -8.666 293 HD11 ILE 38 HD11 ILE 38 2.023 -2.242 -6.821 294 HD12 ILE 38 HD12 ILE 38 1.363 -3.796 -6.259 295 HD13 ILE 38 HD13 ILE 38 3.124 -3.542 -6.307 296 H GLU 39 HN GLU 39 0.400 -6.372 -12.076 297 HA GLU 39 HA GLU 39 -2.378 -6.537 -11.983 298 HB2 GLU 39 HB2 GLU 39 -0.481 -7.126 -13.844 299 HB3 GLU 39 HB3 GLU 39 -0.834 -8.748 -13.285 300 HG2 GLU 39 HG2 GLU 39 -3.355 -8.079 -13.581 301 HG3 GLU 39 HG3 GLU 39 -2.744 -6.738 -14.530 302 HE2 GLU 39 HE2 GLU 39 -2.197 -7.963 -17.140 303 H GLY 40 HN GLY 40 -3.400 -7.363 -10.185 304 HA2 GLY 40 HA1 GLY 40 -4.069 -9.683 -9.482 305 HA3 GLY 40 HA2 GLY 40 -2.373 -9.918 -9.110 306 H PHE 41 HN PHE 41 -2.685 -6.714 -8.484 307 HA PHE 41 HA PHE 41 -2.548 -6.986 -5.738 308 HB2 PHE 41 HB2 PHE 41 -1.789 -5.028 -7.129 309 HB3 PHE 41 HB3 PHE 41 -3.450 -4.681 -7.568 310 HD1 PHE 41 HD1 PHE 41 -1.224 -4.930 -4.592 311 HD2 PHE 41 HD2 PHE 41 -4.681 -3.164 -6.308 312 HE1 PHE 41 HE1 PHE 41 -1.430 -3.404 -2.609 313 HE2 PHE 41 HE2 PHE 41 -4.887 -1.639 -4.326 314 HZ PHE 41 HZ PHE 41 -3.259 -1.777 -2.500 315 H GLY 42 HN GLY 42 -4.089 -5.821 -4.142 316 HA2 GLY 42 HA1 GLY 42 -6.563 -5.127 -4.178 317 HA3 GLY 42 HA2 GLY 42 -6.816 -6.779 -4.707 318 H LYS 43 HN LYS 43 -8.095 -6.199 -2.427 319 HA LYS 43 HA LYS 43 -7.025 -6.109 -0.021 320 HB2 LYS 43 HB2 LYS 43 -8.820 -8.021 0.511 321 HB3 LYS 43 HB3 LYS 43 -9.267 -6.369 0.136 322 HG2 LYS 43 HG2 LYS 43 -10.131 -6.920 -1.927 323 HG3 LYS 43 HG3 LYS 43 -8.879 -8.102 -2.255 324 HD2 LYS 43 HD2 LYS 43 -10.327 -9.758 -1.718 325 HD3 LYS 43 HD3 LYS 43 -10.379 -9.159 -0.072 326 HE2 LYS 43 HE2 LYS 43 -12.387 -8.035 -0.386 327 HE3 LYS 43 HE3 LYS 43 -12.041 -7.652 -2.061 328 HZ1 LYS 43 HZ1 LYS 43 -13.400 -9.948 -0.998 329 HZ2 LYS 43 HZ2 LYS 43 -13.436 -9.351 -2.513 330 H GLU 44 HN GLU 44 -6.826 -8.931 -2.228 331 HA GLU 44 HA GLU 44 -5.989 -10.888 -0.691 332 HB2 GLU 44 HB2 GLU 44 -5.304 -9.981 -3.426 333 HB3 GLU 44 HB3 GLU 44 -4.101 -11.045 -2.725 334 HG2 GLU 44 HG2 GLU 44 -5.435 -12.833 -3.118 335 HG3 GLU 44 HG3 GLU 44 -6.669 -12.155 -2.076 336 HE2 GLU 44 HE2 GLU 44 -8.106 -10.620 -3.154 337 H MET 45 HN MET 45 -3.420 -8.844 -2.245 338 HA MET 45 HA MET 45 -1.617 -9.547 -0.179 339 HB2 MET 45 HB2 MET 45 -1.438 -8.673 -2.825 340 HB3 MET 45 HB3 MET 45 -0.967 -7.227 -1.953 341 HG2 MET 45 HG2 MET 45 0.662 -8.742 -0.614 342 HG3 MET 45 HG3 MET 45 0.331 -9.982 -1.807 343 HE1 MET 45 HE1 MET 45 1.595 -9.050 -4.961 344 HE2 MET 45 HE2 MET 45 0.032 -9.354 -4.164 345 HE3 MET 45 HE3 MET 45 0.401 -7.738 -4.814 346 H ALA 46 HN ALA 46 -3.361 -6.535 -1.175 347 HA ALA 46 HA ALA 46 -2.275 -4.705 0.474 348 HB1 ALA 46 HB1 ALA 46 -4.845 -5.162 -0.846 349 HB2 ALA 46 HB2 ALA 46 -5.028 -4.229 0.658 350 HB3 ALA 46 HB3 ALA 46 -3.937 -3.648 -0.622 351 H HIS 47 HN HIS 47 -4.167 -7.552 1.367 352 HA HIS 47 HA HIS 47 -4.358 -6.564 4.101 353 HB2 HIS 47 HB2 HIS 47 -5.632 -8.947 2.730 354 HB3 HIS 47 HB3 HIS 47 -5.827 -8.561 4.428 355 HD1 HIS 47 HD1 HIS 47 -8.240 -8.637 2.431 356 HD2 HIS 47 HD2 HIS 47 -6.160 -5.170 3.549 357 HE1 HIS 47 HE1 HIS 47 -9.834 -6.686 2.029 358 H GLY 48 HN GLY 48 -3.419 -9.597 2.321 359 HA2 GLY 48 HA1 GLY 48 -2.102 -10.812 4.458 360 HA3 GLY 48 HA2 GLY 48 -1.840 -11.135 2.755 361 H LYS 49 HN LYS 49 0.414 -11.281 2.726 362 HA LYS 49 HA LYS 49 1.983 -9.273 4.048 363 HB2 LYS 49 HB2 LYS 49 3.873 -10.572 3.341 364 HB3 LYS 49 HB3 LYS 49 2.644 -11.663 3.948 365 HG2 LYS 49 HG2 LYS 49 2.335 -11.151 1.059 366 HG3 LYS 49 HG3 LYS 49 3.911 -11.815 1.442 367 HD2 LYS 49 HD2 LYS 49 2.877 -13.718 2.623 368 HD3 LYS 49 HD3 LYS 49 1.281 -13.026 2.415 369 HE2 LYS 49 HE2 LYS 49 1.100 -14.071 0.411 370 HE3 LYS 49 HE3 LYS 49 2.443 -13.123 -0.196 371 HZ1 LYS 49 HZ1 LYS 49 3.144 -15.403 1.485 372 HZ2 LYS 49 HZ2 LYS 49 2.558 -15.761 0.007 373 H GLY 50 HN GLY 50 0.387 -7.781 2.534 374 HA2 GLY 50 HA1 GLY 50 1.925 -7.197 0.076 375 HA3 GLY 50 HA2 GLY 50 0.217 -6.878 0.303 376 H CYS 51 HN CYS 51 -0.192 -5.526 2.526 377 HA CYS 51 HA CYS 51 1.779 -3.357 2.488 378 HB2 CYS 51 HB2 CYS 51 -1.201 -3.019 2.862 379 HB3 CYS 51 HB3 CYS 51 0.006 -1.752 2.772 380 H LYS 52 HN LYS 52 -0.954 -4.919 4.315 381 HA LYS 52 HA LYS 52 -0.277 -3.830 6.792 382 HB2 LYS 52 HB2 LYS 52 -1.666 -6.481 6.370 383 HB3 LYS 52 HB3 LYS 52 -1.859 -5.353 7.697 384 HG2 LYS 52 HG2 LYS 52 -2.439 -3.770 5.466 385 HG3 LYS 52 HG3 LYS 52 -3.103 -5.326 5.011 386 HD2 LYS 52 HD2 LYS 52 -3.727 -3.786 7.574 387 HD3 LYS 52 HD3 LYS 52 -4.801 -3.987 6.204 388 HE2 LYS 52 HE2 LYS 52 -5.608 -5.819 7.294 389 HE3 LYS 52 HE3 LYS 52 -4.132 -6.624 6.800 390 HZ1 LYS 52 HZ1 LYS 52 -3.342 -5.281 9.014 391 HZ2 LYS 52 HZ2 LYS 52 -4.870 -5.670 9.421 392 H GLY 53 HN GLY 53 1.002 -6.566 4.933 393 HA2 GLY 53 HA1 GLY 53 2.267 -7.938 7.042 394 HA3 GLY 53 HA2 GLY 53 2.674 -8.013 5.339 395 H CYS 54 HN CYS 54 3.282 -5.208 4.902 396 HA CYS 54 HA CYS 54 5.879 -5.189 6.175 397 HB2 CYS 54 HB2 CYS 54 5.198 -4.707 3.616 398 HB3 CYS 54 HB3 CYS 54 5.095 -3.068 4.228 399 H HIS 55 HN HIS 55 3.125 -4.542 7.481 400 HA HIS 55 HA HIS 55 3.875 -1.863 8.405 401 HB2 HIS 55 HB2 HIS 55 1.169 -3.062 7.841 402 HB3 HIS 55 HB3 HIS 55 1.344 -1.743 8.982 403 HD1 HIS 55 HD1 HIS 55 -0.323 -0.904 6.762 404 HD2 HIS 55 HD2 HIS 55 3.855 -0.861 6.394 405 HE1 HIS 55 HE1 HIS 55 0.210 0.710 4.859 406 H GLU 56 HN GLU 56 1.724 -4.604 9.457 407 HA GLU 56 HA GLU 56 1.957 -4.165 12.111 408 HB2 GLU 56 HB2 GLU 56 1.177 -6.399 10.370 409 HB3 GLU 56 HB3 GLU 56 1.852 -6.968 11.883 410 HG2 GLU 56 HG2 GLU 56 0.284 -5.281 13.061 411 HG3 GLU 56 HG3 GLU 56 -0.504 -5.070 11.510 412 HE2 GLU 56 HE2 GLU 56 -1.583 -7.335 14.028 413 H GLU 57 HN GLU 57 4.168 -6.020 9.953 414 HA GLU 57 HA GLU 57 5.723 -7.274 11.722 415 HB2 GLU 57 HB2 GLU 57 6.110 -6.098 9.034 416 HB3 GLU 57 HB3 GLU 57 7.606 -6.279 9.929 417 HG2 GLU 57 HG2 GLU 57 6.334 -8.698 10.451 418 HG3 GLU 57 HG3 GLU 57 5.810 -8.365 8.812 419 HE2 GLU 57 HE2 GLU 57 8.249 -9.839 10.397 420 H MET 58 HN MET 58 5.942 -3.785 10.784 421 HA MET 58 HA MET 58 7.942 -3.443 12.853 422 HB2 MET 58 HB2 MET 58 6.849 -1.517 10.726 423 HB3 MET 58 HB3 MET 58 8.188 -1.159 11.798 424 HG2 MET 58 HG2 MET 58 8.634 -3.717 10.444 425 HG3 MET 58 HG3 MET 58 8.314 -2.456 9.269 426 HE1 MET 58 HE1 MET 58 11.757 -1.427 8.741 427 HE2 MET 58 HE2 MET 58 10.297 -2.264 8.161 428 HE3 MET 58 HE3 MET 58 10.211 -0.552 8.640 429 H LYS 59 HN LYS 59 4.566 -3.286 12.440 430 HA LYS 59 HA LYS 59 2.917 -2.480 13.664 431 HB2 LYS 59 HB2 LYS 59 5.083 -2.000 15.732 432 HB3 LYS 59 HB3 LYS 59 3.362 -1.895 16.042 433 HG2 LYS 59 HG2 LYS 59 4.743 -4.390 14.946 434 HG3 LYS 59 HG3 LYS 59 4.397 -4.134 16.645 435 HD2 LYS 59 HD2 LYS 59 1.916 -3.665 15.703 436 HD3 LYS 59 HD3 LYS 59 2.484 -4.654 14.372 437 HE2 LYS 59 HE2 LYS 59 1.714 -6.355 15.739 438 HE3 LYS 59 HE3 LYS 59 3.338 -6.236 16.385 439 HZ1 LYS 59 HZ1 LYS 59 2.283 -5.869 18.334 440 HZ2 LYS 59 HZ2 LYS 59 1.985 -4.358 17.808 441 H LYS 60 HN LYS 60 3.840 -0.841 11.647 442 HA LYS 60 HA LYS 60 3.191 1.749 12.777 443 HB2 LYS 60 HB2 LYS 60 5.796 1.129 11.385 444 HB3 LYS 60 HB3 LYS 60 5.103 2.738 11.345 445 HG2 LYS 60 HG2 LYS 60 4.885 2.057 14.046 446 HG3 LYS 60 HG3 LYS 60 6.399 1.302 13.589 447 HD2 LYS 60 HD2 LYS 60 6.007 4.087 12.573 448 HD3 LYS 60 HD3 LYS 60 6.156 3.942 14.312 449 HE2 LYS 60 HE2 LYS 60 8.372 3.323 14.210 450 HE3 LYS 60 HE3 LYS 60 8.138 2.325 12.789 451 HZ1 LYS 60 HZ1 LYS 60 7.725 4.909 11.919 452 HZ2 LYS 60 HZ2 LYS 60 9.009 5.034 12.913 453 H GLY 61 HN GLY 61 1.676 2.719 11.529 454 HA2 GLY 61 HA1 GLY 61 1.112 3.437 9.271 455 HA3 GLY 61 HA2 GLY 61 1.475 1.814 8.718 456 HA PRO 62 HA PRO 62 -3.107 2.305 9.700 457 HB2 PRO 62 HB2 PRO 62 -4.012 1.700 7.188 458 HB3 PRO 62 HB3 PRO 62 -3.473 3.349 7.645 459 HG2 PRO 62 HG2 PRO 62 -1.862 1.293 6.245 460 HG3 PRO 62 HG3 PRO 62 -2.086 3.009 5.771 461 HD2 PRO 62 HD2 PRO 62 0.101 2.236 7.171 462 HD3 PRO 62 HD3 PRO 62 -0.740 3.754 7.607 463 H THR 63 HN THR 63 -3.268 0.419 10.993 464 HA THR 63 HA THR 63 -3.022 -2.118 9.516 465 HB THR 63 HB THR 63 -2.681 -2.958 11.988 466 HG1 THR 63 HG1 THR 63 -3.403 -0.690 12.677 467 HG21 THR 63 HG21 THR 63 -0.836 -1.988 10.060 468 HG22 THR 63 HG22 THR 63 -0.382 -1.181 11.580 469 HG23 THR 63 HG23 THR 63 -0.446 -2.957 11.500 470 H LYS 64 HN LYS 64 -5.264 0.101 10.585 471 HA LYS 64 HA LYS 64 -7.173 -2.017 11.276 472 HB2 LYS 64 HB2 LYS 64 -7.322 0.959 11.844 473 HB3 LYS 64 HB3 LYS 64 -8.498 -0.245 12.331 474 HG2 LYS 64 HG2 LYS 64 -5.581 -0.562 13.114 475 HG3 LYS 64 HG3 LYS 64 -6.628 0.497 14.037 476 HD2 LYS 64 HD2 LYS 64 -7.971 -2.051 13.549 477 HD3 LYS 64 HD3 LYS 64 -6.397 -2.333 14.266 478 HE2 LYS 64 HE2 LYS 64 -7.234 -0.265 15.844 479 HE3 LYS 64 HE3 LYS 64 -8.792 -0.947 15.423 480 HZ1 LYS 64 HZ1 LYS 64 -6.540 -2.435 16.662 481 HZ2 LYS 64 HZ2 LYS 64 -7.941 -2.036 17.391 482 H CYS 65 HN CYS 65 -9.470 -1.575 10.454 483 HA CYS 65 HA CYS 65 -9.249 -1.153 7.634 484 HB2 CYS 65 HB2 CYS 65 -11.921 -1.491 8.861 485 HB3 CYS 65 HB3 CYS 65 -11.219 -2.248 7.444 486 H GLY 66 HN GLY 66 -9.633 0.808 10.386 487 HA2 GLY 66 HA1 GLY 66 -11.427 2.734 9.101 488 HA3 GLY 66 HA2 GLY 66 -10.856 2.752 10.758 489 H GLU 67 HN GLU 67 -8.169 1.946 8.918 490 HA GLU 67 HA GLU 67 -7.359 4.738 8.894 491 HB2 GLU 67 HB2 GLU 67 -6.130 2.645 10.108 492 HB3 GLU 67 HB3 GLU 67 -5.353 2.537 8.542 493 HG2 GLU 67 HG2 GLU 67 -4.078 3.996 10.119 494 HG3 GLU 67 HG3 GLU 67 -4.593 4.870 8.690 495 HE2 GLU 67 HE2 GLU 67 -5.029 5.839 12.185 496 H CYS 68 HN CYS 68 -7.406 1.699 6.951 497 HA CYS 68 HA CYS 68 -6.360 3.114 4.666 498 HB2 CYS 68 HB2 CYS 68 -6.881 0.262 5.366 499 HB3 CYS 68 HB3 CYS 68 -6.992 0.689 3.670 500 H HIS 69 HN HIS 69 -9.347 1.267 5.629 501 HA HIS 69 HA HIS 69 -10.746 2.410 3.374 502 HB2 HIS 69 HB2 HIS 69 -11.630 0.433 5.495 503 HB3 HIS 69 HB3 HIS 69 -12.595 0.934 4.121 504 HD1 HIS 69 HD1 HIS 69 -11.257 0.474 1.670 505 HD2 HIS 69 HD2 HIS 69 -10.204 -1.840 5.007 506 HE1 HIS 69 HE1 HIS 69 -10.094 -1.607 0.759 507 H LYS 70 HN LYS 70 -10.443 4.661 4.231 508 HA LYS 70 HA LYS 70 -12.803 5.477 5.550 509 HB2 LYS 70 HB2 LYS 70 -10.866 4.645 7.333 510 HB3 LYS 70 HB3 LYS 70 -10.569 6.369 7.240 511 HG2 LYS 70 HG2 LYS 70 -13.326 6.332 7.380 512 HG3 LYS 70 HG3 LYS 70 -12.934 4.908 8.323 513 HD2 LYS 70 HD2 LYS 70 -11.250 6.377 9.613 514 HD3 LYS 70 HD3 LYS 70 -11.959 7.758 8.801 515 HE2 LYS 70 HE2 LYS 70 -14.222 7.084 9.709 516 HE3 LYS 70 HE3 LYS 70 -13.452 5.776 10.585 517 HZ1 LYS 70 HZ1 LYS 70 -12.724 8.634 10.942 518 HZ2 LYS 70 HZ2 LYS 70 -13.729 7.823 11.934 519 H LYS 71 HN LYS 71 -12.706 6.463 3.360 520 HA LYS 71 HA LYS 71 -10.812 8.069 2.355 521 HB2 LYS 71 HB2 LYS 71 -12.404 8.673 0.891 522 HB3 LYS 71 HB3 LYS 71 -13.396 7.503 1.738 523 HG2 LYS 71 HG2 LYS 71 -14.779 9.389 1.812 524 HG3 LYS 71 HG3 LYS 71 -13.957 9.523 3.354 525 HD2 LYS 71 HD2 LYS 71 -12.250 10.816 1.480 526 HD3 LYS 71 HD3 LYS 71 -13.870 11.332 1.058 527 HE2 LYS 71 HE2 LYS 71 -14.235 12.380 3.128 528 HE3 LYS 71 HE3 LYS 71 -13.115 11.336 3.980 529 HZ1 LYS 71 HZ1 LYS 71 -12.155 13.266 1.950 530 HZ2 LYS 71 HZ2 LYS 71 -12.339 13.699 3.509 Start of MODEL 18 1 H1 ALA 1 HN ALA 1 -1.077 15.252 -5.720 2 HA ALA 1 HA ALA 1 1.387 15.865 -6.203 3 HB1 ALA 1 HB1 ALA 1 1.656 16.434 -3.727 4 HB2 ALA 1 HB2 ALA 1 0.180 17.047 -4.510 5 HB3 ALA 1 HB3 ALA 1 0.101 15.610 -3.463 6 H ASP 2 HN ASP 2 1.572 13.214 -6.881 7 HA ASP 2 HA ASP 2 3.282 11.797 -6.864 8 HB2 ASP 2 HB2 ASP 2 3.916 12.429 -3.959 9 HB3 ASP 2 HB3 ASP 2 4.973 11.707 -5.156 10 HD2 ASP 2 HD2 ASP 2 4.774 14.234 -3.480 11 H ASP 3 HN ASP 3 0.960 12.284 -4.244 12 HA ASP 3 HA ASP 3 1.170 9.817 -3.007 13 HB2 ASP 3 HB2 ASP 3 -0.155 11.990 -2.357 14 HB3 ASP 3 HB3 ASP 3 -1.441 11.335 -3.352 15 HD2 ASP 3 HD2 ASP 3 -2.590 9.870 -2.617 16 H ILE 4 HN ILE 4 -1.249 8.492 -3.047 17 HA ILE 4 HA ILE 4 -2.200 8.184 -5.740 18 HB ILE 4 HB ILE 4 -0.484 6.091 -4.425 19 HG12 ILE 4 HG12 ILE 4 -0.376 7.709 -6.947 20 HG13 ILE 4 HG13 ILE 4 0.884 7.382 -5.773 21 HG21 ILE 4 HG21 ILE 4 -2.623 5.057 -5.104 22 HG22 ILE 4 HG22 ILE 4 -2.370 5.663 -6.758 23 HG23 ILE 4 HG23 ILE 4 -1.240 4.477 -6.062 24 HD11 ILE 4 HD11 ILE 4 0.741 4.908 -6.511 25 HD12 ILE 4 HD12 ILE 4 -0.238 5.493 -7.877 26 HD13 ILE 4 HD13 ILE 4 1.441 6.052 -7.682 27 H VAL 5 HN VAL 5 -4.333 7.621 -5.697 28 HA VAL 5 HA VAL 5 -5.330 6.625 -3.117 29 HB VAL 5 HB VAL 5 -6.857 8.320 -5.091 30 HG11 VAL 5 HG11 VAL 5 -8.128 8.839 -2.899 31 HG12 VAL 5 HG12 VAL 5 -8.377 7.250 -3.664 32 HG13 VAL 5 HG13 VAL 5 -7.305 7.400 -2.250 33 HG21 VAL 5 HG21 VAL 5 -4.966 9.147 -2.904 34 HG22 VAL 5 HG22 VAL 5 -5.199 9.837 -4.529 35 HG23 VAL 5 HG23 VAL 5 -6.404 10.137 -3.253 36 H PHE 6 HN PHE 6 -6.656 4.824 -3.144 37 HA PHE 6 HA PHE 6 -7.144 3.703 -5.815 38 HB2 PHE 6 HB2 PHE 6 -6.586 2.455 -3.059 39 HB3 PHE 6 HB3 PHE 6 -7.060 1.500 -4.449 40 HD1 PHE 6 HD1 PHE 6 -5.530 1.339 -6.411 41 HD2 PHE 6 HD2 PHE 6 -4.345 3.221 -2.797 42 HE1 PHE 6 HE1 PHE 6 -3.124 1.150 -7.101 43 HE2 PHE 6 HE2 PHE 6 -1.939 3.032 -3.487 44 HZ PHE 6 HZ PHE 6 -1.357 1.999 -5.631 45 H LYS 7 HN LYS 7 -9.272 4.030 -6.310 46 HA LYS 7 HA LYS 7 -11.286 4.599 -4.577 47 HB2 LYS 7 HB2 LYS 7 -11.240 3.301 -7.296 48 HB3 LYS 7 HB3 LYS 7 -12.755 3.546 -6.450 49 HG2 LYS 7 HG2 LYS 7 -11.481 6.015 -6.135 50 HG3 LYS 7 HG3 LYS 7 -10.981 5.533 -7.745 51 HD2 LYS 7 HD2 LYS 7 -12.991 6.344 -8.445 52 HD3 LYS 7 HD3 LYS 7 -13.683 4.879 -7.776 53 HE2 LYS 7 HE2 LYS 7 -13.215 6.946 -5.714 54 HE3 LYS 7 HE3 LYS 7 -14.292 7.499 -6.981 55 HZ1 LYS 7 HZ1 LYS 7 -14.646 5.002 -5.410 56 HZ2 LYS 7 HZ2 LYS 7 -15.540 6.354 -5.256 57 H ALA 8 HN ALA 8 -12.567 3.516 -3.138 58 HA ALA 8 HA ALA 8 -12.482 0.595 -3.214 59 HB1 ALA 8 HB1 ALA 8 -11.102 2.254 -1.322 60 HB2 ALA 8 HB2 ALA 8 -12.448 1.450 -0.481 61 HB3 ALA 8 HB3 ALA 8 -11.236 0.480 -1.351 62 H LYS 9 HN LYS 9 -14.385 -0.402 -2.378 63 HA LYS 9 HA LYS 9 -16.659 1.378 -2.415 64 HB2 LYS 9 HB2 LYS 9 -16.755 -1.611 -2.031 65 HB3 LYS 9 HB3 LYS 9 -17.965 -0.551 -2.726 66 HG2 LYS 9 HG2 LYS 9 -16.011 -0.012 -4.484 67 HG3 LYS 9 HG3 LYS 9 -15.399 -1.566 -3.954 68 HD2 LYS 9 HD2 LYS 9 -16.816 -2.474 -5.490 69 HD3 LYS 9 HD3 LYS 9 -18.092 -2.130 -4.339 70 HE2 LYS 9 HE2 LYS 9 -17.183 0.004 -6.301 71 HE3 LYS 9 HE3 LYS 9 -18.323 -1.229 -6.800 72 HZ1 LYS 9 HZ1 LYS 9 -19.704 -0.547 -4.832 73 HZ2 LYS 9 HZ2 LYS 9 -18.696 0.707 -4.583 74 H ASN 10 HN ASN 10 -14.467 1.000 -0.142 75 HA ASN 10 HA ASN 10 -16.481 1.074 1.936 76 HB2 ASN 10 HB2 ASN 10 -14.816 -1.155 1.593 77 HB3 ASN 10 HB3 ASN 10 -13.938 -0.214 2.783 78 HD21 ASN 10 HD21 ASN 10 -14.396 -2.001 4.194 79 HD22 ASN 10 HD22 ASN 10 -15.901 -2.092 5.046 80 H GLY 11 HN GLY 11 -14.594 2.935 0.318 81 HA2 GLY 11 HA1 GLY 11 -13.956 5.037 1.330 82 HA3 GLY 11 HA2 GLY 11 -13.216 4.141 2.641 83 H ASP 12 HN ASP 12 -12.258 6.061 0.315 84 HA ASP 12 HA ASP 12 -10.651 4.649 -1.383 85 HB2 ASP 12 HB2 ASP 12 -10.909 7.411 -0.420 86 HB3 ASP 12 HB3 ASP 12 -9.232 7.018 -0.740 87 HD2 ASP 12 HD2 ASP 12 -11.518 8.509 -2.052 88 H VAL 13 HN VAL 13 -8.431 3.931 -1.243 89 HA VAL 13 HA VAL 13 -7.373 3.891 1.496 90 HB VAL 13 HB VAL 13 -7.269 1.972 -0.810 91 HG11 VAL 13 HG11 VAL 13 -5.110 1.535 -0.410 92 HG12 VAL 13 HG12 VAL 13 -5.094 2.552 1.050 93 HG13 VAL 13 HG13 VAL 13 -5.636 0.860 1.150 94 HG21 VAL 13 HG21 VAL 13 -9.071 1.695 0.809 95 HG22 VAL 13 HG22 VAL 13 -7.911 0.352 0.946 96 HG23 VAL 13 HG23 VAL 13 -7.896 1.666 2.146 97 H LYS 14 HN LYS 14 -6.121 5.738 1.612 98 HA LYS 14 HA LYS 14 -4.568 6.603 -0.605 99 HB2 LYS 14 HB2 LYS 14 -5.492 7.690 1.813 100 HB3 LYS 14 HB3 LYS 14 -3.747 7.680 1.966 101 HG2 LYS 14 HG2 LYS 14 -4.202 8.533 -0.689 102 HG3 LYS 14 HG3 LYS 14 -5.451 9.338 0.239 103 HD2 LYS 14 HD2 LYS 14 -3.474 9.906 1.914 104 HD3 LYS 14 HD3 LYS 14 -2.442 9.547 0.543 105 HE2 LYS 14 HE2 LYS 14 -2.954 11.517 -0.482 106 HE3 LYS 14 HE3 LYS 14 -4.675 11.273 -0.261 107 HZ1 LYS 14 HZ1 LYS 14 -4.597 12.284 1.846 108 HZ2 LYS 14 HZ2 LYS 14 -2.988 12.103 2.020 109 H PHE 15 HN PHE 15 -2.284 6.534 -0.879 110 HA PHE 15 HA PHE 15 -0.794 4.895 0.984 111 HB2 PHE 15 HB2 PHE 15 -1.846 3.346 -0.728 112 HB3 PHE 15 HB3 PHE 15 -1.172 4.322 -2.017 113 HD1 PHE 15 HD1 PHE 15 0.591 3.366 1.095 114 HD2 PHE 15 HD2 PHE 15 0.176 2.702 -3.076 115 HE1 PHE 15 HE1 PHE 15 2.668 1.956 1.113 116 HE2 PHE 15 HE2 PHE 15 2.253 1.293 -3.058 117 HZ PHE 15 HZ PHE 15 3.474 0.937 -0.964 118 HA PRO 16 HA PRO 16 1.831 8.336 -0.164 119 HB2 PRO 16 HB2 PRO 16 3.584 7.069 1.900 120 HB3 PRO 16 HB3 PRO 16 2.855 8.707 1.836 121 HG2 PRO 16 HG2 PRO 16 1.991 6.793 3.573 122 HG3 PRO 16 HG3 PRO 16 0.995 8.105 2.863 123 HD2 PRO 16 HD2 PRO 16 1.235 5.166 2.083 124 HD3 PRO 16 HD3 PRO 16 -0.222 6.205 2.136 125 H HIS 17 HN HIS 17 2.362 7.457 -2.314 126 HA HIS 17 HA HIS 17 4.020 5.213 -2.575 127 HB2 HIS 17 HB2 HIS 17 2.460 6.253 -4.294 128 HB3 HIS 17 HB3 HIS 17 3.692 7.469 -4.565 129 HD1 HIS 17 HD1 HIS 17 5.456 6.912 -6.266 130 HD2 HIS 17 HD2 HIS 17 3.466 3.500 -4.856 131 HE1 HIS 17 HE1 HIS 17 6.312 4.957 -7.664 132 H LYS 18 HN LYS 18 4.703 8.775 -2.807 133 HA LYS 18 HA LYS 18 7.465 8.438 -3.134 134 HB2 LYS 18 HB2 LYS 18 6.125 10.465 -3.729 135 HB3 LYS 18 HB3 LYS 18 5.975 10.832 -2.022 136 HG2 LYS 18 HG2 LYS 18 8.708 10.420 -2.253 137 HG3 LYS 18 HG3 LYS 18 8.331 11.115 -3.817 138 HD2 LYS 18 HD2 LYS 18 6.942 12.874 -2.363 139 HD3 LYS 18 HD3 LYS 18 7.994 12.336 -1.069 140 HE2 LYS 18 HE2 LYS 18 9.812 13.422 -1.936 141 HE3 LYS 18 HE3 LYS 18 9.481 12.870 -3.565 142 HZ1 LYS 18 HZ1 LYS 18 7.514 14.623 -3.292 143 HZ2 LYS 18 HZ2 LYS 18 8.563 15.310 -2.253 144 H ALA 19 HN ALA 19 5.498 9.311 -0.206 145 HA ALA 19 HA ALA 19 7.484 9.470 1.625 146 HB1 ALA 19 HB1 ALA 19 4.695 9.326 1.609 147 HB2 ALA 19 HB2 ALA 19 5.186 7.952 2.628 148 HB3 ALA 19 HB3 ALA 19 5.727 9.599 3.033 149 H HIS 20 HN HIS 20 5.813 6.457 0.490 150 HA HIS 20 HA HIS 20 7.294 4.751 2.129 151 HB2 HIS 20 HB2 HIS 20 5.554 4.459 -0.283 152 HB3 HIS 20 HB3 HIS 20 6.576 3.105 0.154 153 HD1 HIS 20 HD1 HIS 20 3.754 5.240 1.554 154 HD2 HIS 20 HD2 HIS 20 5.705 1.608 2.328 155 HE1 HIS 20 HE1 HIS 20 2.379 4.058 3.350 156 H GLN 21 HN GLN 21 7.969 6.338 -0.964 157 HA GLN 21 HA GLN 21 10.047 4.599 -1.703 158 HB2 GLN 21 HB2 GLN 21 9.263 7.414 -2.541 159 HB3 GLN 21 HB3 GLN 21 10.672 6.618 -3.214 160 HG2 GLN 21 HG2 GLN 21 8.151 5.000 -3.202 161 HG3 GLN 21 HG3 GLN 21 8.155 6.391 -4.268 162 HE21 GLN 21 HE21 GLN 21 11.059 4.669 -3.339 163 HE22 GLN 21 HE22 GLN 21 11.421 3.952 -4.873 164 H LYS 22 HN LYS 22 9.747 6.915 0.795 165 HA LYS 22 HA LYS 22 12.627 7.441 0.803 166 HB2 LYS 22 HB2 LYS 22 10.537 9.174 1.102 167 HB3 LYS 22 HB3 LYS 22 10.886 8.792 2.776 168 HG2 LYS 22 HG2 LYS 22 13.435 9.139 1.626 169 HG3 LYS 22 HG3 LYS 22 12.461 10.376 0.856 170 HD2 LYS 22 HD2 LYS 22 11.981 10.142 3.777 171 HD3 LYS 22 HD3 LYS 22 13.628 10.584 3.375 172 HE2 LYS 22 HE2 LYS 22 12.990 12.602 2.345 173 HE3 LYS 22 HE3 LYS 22 11.385 12.021 1.950 174 HZ1 LYS 22 HZ1 LYS 22 11.859 12.101 4.786 175 HZ2 LYS 22 HZ2 LYS 22 11.991 13.573 4.101 176 H ALA 23 HN ALA 23 10.035 5.634 2.327 177 HA ALA 23 HA ALA 23 11.633 5.113 4.692 178 HB1 ALA 23 HB1 ALA 23 9.533 3.595 5.114 179 HB2 ALA 23 HB2 ALA 23 9.371 5.364 5.228 180 HB3 ALA 23 HB3 ALA 23 8.824 4.512 3.764 181 H VAL 24 HN VAL 24 10.212 3.338 1.864 182 HA VAL 24 HA VAL 24 11.949 1.085 2.523 183 HB VAL 24 HB VAL 24 9.672 1.358 0.551 184 HG11 VAL 24 HG11 VAL 24 10.967 -1.202 1.521 185 HG12 VAL 24 HG12 VAL 24 9.816 -0.981 0.181 186 HG13 VAL 24 HG13 VAL 24 11.479 -0.364 0.037 187 HG21 VAL 24 HG21 VAL 24 9.395 -0.411 2.907 188 HG22 VAL 24 HG22 VAL 24 9.436 1.333 3.264 189 HG23 VAL 24 HG23 VAL 24 8.217 0.682 2.142 190 HA PRO 25 HA PRO 25 14.660 2.283 -0.740 191 HB2 PRO 25 HB2 PRO 25 16.433 0.267 -0.553 192 HB3 PRO 25 HB3 PRO 25 16.182 1.381 0.831 193 HG2 PRO 25 HG2 PRO 25 14.926 -1.578 0.787 194 HG3 PRO 25 HG3 PRO 25 15.840 -0.370 1.749 195 HD2 PRO 25 HD2 PRO 25 12.932 -0.696 1.436 196 HD3 PRO 25 HD3 PRO 25 13.811 0.472 2.468 197 H ASP 26 HN ASP 26 15.268 -1.145 -1.207 198 HA ASP 26 HA ASP 26 14.897 -1.187 -3.815 199 HB2 ASP 26 HB2 ASP 26 15.722 -3.135 -2.620 200 HB3 ASP 26 HB3 ASP 26 14.204 -3.334 -1.768 201 HD2 ASP 26 HD2 ASP 26 13.826 -5.307 -2.453 202 H CYS 27 HN CYS 27 13.144 -1.169 -5.282 203 HA CYS 27 HA CYS 27 10.531 -0.790 -4.103 204 HB2 CYS 27 HB2 CYS 27 11.493 -0.492 -6.955 205 HB3 CYS 27 HB3 CYS 27 9.865 -0.155 -6.404 206 H LYS 28 HN LYS 28 12.520 -3.178 -5.748 207 HA LYS 28 HA LYS 28 10.708 -4.712 -7.081 208 HB2 LYS 28 HB2 LYS 28 13.120 -5.548 -5.448 209 HB3 LYS 28 HB3 LYS 28 12.252 -6.620 -6.528 210 HG2 LYS 28 HG2 LYS 28 12.789 -4.156 -7.947 211 HG3 LYS 28 HG3 LYS 28 14.280 -4.687 -7.193 212 HD2 LYS 28 HD2 LYS 28 13.984 -6.957 -8.206 213 HD3 LYS 28 HD3 LYS 28 12.493 -6.428 -8.959 214 HE2 LYS 28 HE2 LYS 28 13.583 -5.155 -10.563 215 HE3 LYS 28 HE3 LYS 28 14.883 -4.700 -9.480 216 HZ1 LYS 28 HZ1 LYS 28 14.581 -7.291 -10.887 217 HZ2 LYS 28 HZ2 LYS 28 15.793 -6.216 -11.052 218 H LYS 29 HN LYS 29 10.945 -4.097 -3.636 219 HA LYS 29 HA LYS 29 9.704 -6.403 -2.684 220 HB2 LYS 29 HB2 LYS 29 9.922 -3.575 -1.644 221 HB3 LYS 29 HB3 LYS 29 9.062 -4.819 -0.759 222 HG2 LYS 29 HG2 LYS 29 11.984 -4.953 -1.642 223 HG3 LYS 29 HG3 LYS 29 11.421 -4.670 -0.007 224 HD2 LYS 29 HD2 LYS 29 11.552 -6.927 0.268 225 HD3 LYS 29 HD3 LYS 29 10.074 -7.010 -0.670 226 HE2 LYS 29 HE2 LYS 29 11.586 -7.046 -2.778 227 HE3 LYS 29 HE3 LYS 29 12.931 -7.314 -1.687 228 HZ1 LYS 29 HZ1 LYS 29 12.179 -9.453 -2.283 229 HZ2 LYS 29 HZ2 LYS 29 11.540 -9.250 -0.799 230 H CYS 30 HN CYS 30 8.447 -3.459 -4.250 231 HA CYS 30 HA CYS 30 5.752 -4.545 -3.884 232 HB2 CYS 30 HB2 CYS 30 6.606 -1.693 -4.483 233 HB3 CYS 30 HB3 CYS 30 4.947 -2.248 -4.377 234 H HIS 31 HN HIS 31 8.268 -3.356 -6.136 235 HA HIS 31 HA HIS 31 6.544 -4.178 -8.357 236 HB2 HIS 31 HB2 HIS 31 8.845 -2.206 -8.307 237 HB3 HIS 31 HB3 HIS 31 7.998 -2.713 -9.755 238 HD1 HIS 31 HD1 HIS 31 5.176 -2.316 -9.458 239 HD2 HIS 31 HD2 HIS 31 7.836 0.118 -7.314 240 HE1 HIS 31 HE1 HIS 31 3.867 -0.225 -8.809 241 H GLU 32 HN GLU 32 7.436 -6.364 -7.277 242 HA GLU 32 HA GLU 32 10.039 -7.095 -7.581 243 HB2 GLU 32 HB2 GLU 32 9.099 -9.460 -7.755 244 HB3 GLU 32 HB3 GLU 32 8.546 -8.529 -6.377 245 HG2 GLU 32 HG2 GLU 32 6.439 -9.068 -7.055 246 HG3 GLU 32 HG3 GLU 32 6.658 -7.857 -8.302 247 HE2 GLU 32 HE2 GLU 32 5.562 -9.254 -10.085 248 H LYS 33 HN LYS 33 7.371 -7.062 -9.995 249 HA LYS 33 HA LYS 33 9.201 -8.099 -12.010 250 HB2 LYS 33 HB2 LYS 33 7.333 -8.629 -13.279 251 HB3 LYS 33 HB3 LYS 33 6.781 -8.917 -11.641 252 HG2 LYS 33 HG2 LYS 33 5.075 -7.473 -12.014 253 HG3 LYS 33 HG3 LYS 33 6.245 -6.172 -12.105 254 HD2 LYS 33 HD2 LYS 33 6.548 -7.157 -14.616 255 HD3 LYS 33 HD3 LYS 33 4.900 -7.681 -14.331 256 HE2 LYS 33 HE2 LYS 33 5.773 -4.813 -13.789 257 HE3 LYS 33 HE3 LYS 33 5.248 -5.325 -15.380 258 HZ1 LYS 33 HZ1 LYS 33 3.336 -4.524 -14.229 259 HZ2 LYS 33 HZ2 LYS 33 3.160 -6.142 -14.252 260 H GLY 34 HN GLY 34 9.994 -5.627 -10.948 261 HA2 GLY 34 HA1 GLY 34 10.768 -3.664 -11.750 262 HA3 GLY 34 HA2 GLY 34 10.099 -4.055 -13.321 263 HA PRO 35 HA PRO 35 7.849 -0.562 -10.826 264 HB2 PRO 35 HB2 PRO 35 8.382 1.293 -12.889 265 HB3 PRO 35 HB3 PRO 35 9.305 1.120 -11.361 266 HG2 PRO 35 HG2 PRO 35 9.958 -0.111 -14.070 267 HG3 PRO 35 HG3 PRO 35 11.142 0.692 -12.988 268 HD2 PRO 35 HD2 PRO 35 10.985 -1.964 -12.935 269 HD3 PRO 35 HD3 PRO 35 10.933 -1.105 -11.366 270 H GLY 36 HN GLY 36 5.808 0.499 -11.658 271 HA2 GLY 36 HA1 GLY 36 4.382 0.764 -13.622 272 HA3 GLY 36 HA2 GLY 36 4.825 -0.864 -14.094 273 H LYS 37 HN LYS 37 2.123 -0.157 -13.801 274 HA LYS 37 HA LYS 37 0.943 -0.446 -11.375 275 HB2 LYS 37 HB2 LYS 37 -1.002 -0.717 -12.535 276 HB3 LYS 37 HB3 LYS 37 0.015 -0.113 -13.828 277 HG2 LYS 37 HG2 LYS 37 -0.437 -3.080 -13.254 278 HG3 LYS 37 HG3 LYS 37 -1.331 -2.166 -14.452 279 HD2 LYS 37 HD2 LYS 37 1.434 -1.627 -14.946 280 HD3 LYS 37 HD3 LYS 37 1.318 -3.353 -14.668 281 HE2 LYS 37 HE2 LYS 37 -0.713 -3.291 -16.318 282 HE3 LYS 37 HE3 LYS 37 -0.139 -1.697 -16.764 283 HZ1 LYS 37 HZ1 LYS 37 1.818 -3.883 -16.745 284 HZ2 LYS 37 HZ2 LYS 37 0.758 -3.833 -17.981 285 H ILE 38 HN ILE 38 -0.357 -2.452 -10.591 286 HA ILE 38 HA ILE 38 1.462 -4.756 -10.726 287 HB ILE 38 HB ILE 38 -0.196 -3.691 -8.442 288 HG12 ILE 38 HG12 ILE 38 2.787 -4.179 -8.564 289 HG13 ILE 38 HG13 ILE 38 2.062 -2.646 -9.005 290 HG21 ILE 38 HG21 ILE 38 1.177 -5.719 -7.327 291 HG22 ILE 38 HG22 ILE 38 -0.482 -5.879 -7.953 292 HG23 ILE 38 HG23 ILE 38 0.899 -6.401 -8.948 293 HD11 ILE 38 HD11 ILE 38 1.232 -2.257 -6.804 294 HD12 ILE 38 HD12 ILE 38 1.425 -3.965 -6.341 295 HD13 ILE 38 HD13 ILE 38 2.860 -2.932 -6.551 296 H GLU 39 HN GLU 39 0.546 -6.029 -12.297 297 HA GLU 39 HA GLU 39 -2.269 -6.201 -12.521 298 HB2 GLU 39 HB2 GLU 39 -0.638 -6.423 -14.439 299 HB3 GLU 39 HB3 GLU 39 -0.128 -7.967 -13.787 300 HG2 GLU 39 HG2 GLU 39 -2.889 -8.267 -13.831 301 HG3 GLU 39 HG3 GLU 39 -2.623 -7.260 -15.241 302 HE2 GLU 39 HE2 GLU 39 -0.787 -9.933 -13.856 303 H GLY 40 HN GLY 40 -1.985 -6.776 -9.933 304 HA2 GLY 40 HA1 GLY 40 -3.118 -9.287 -9.586 305 HA3 GLY 40 HA2 GLY 40 -1.400 -9.474 -9.297 306 H PHE 41 HN PHE 41 -3.282 -6.470 -8.684 307 HA PHE 41 HA PHE 41 -2.516 -6.712 -5.878 308 HB2 PHE 41 HB2 PHE 41 -1.944 -4.670 -7.297 309 HB3 PHE 41 HB3 PHE 41 -3.653 -4.422 -7.595 310 HD1 PHE 41 HD1 PHE 41 -1.275 -4.753 -4.735 311 HD2 PHE 41 HD2 PHE 41 -4.799 -2.937 -6.248 312 HE1 PHE 41 HE1 PHE 41 -1.428 -3.332 -2.672 313 HE2 PHE 41 HE2 PHE 41 -4.952 -1.515 -4.185 314 HZ PHE 41 HZ PHE 41 -3.265 -1.730 -2.421 315 H GLY 42 HN GLY 42 -4.192 -5.627 -4.310 316 HA2 GLY 42 HA1 GLY 42 -6.710 -5.181 -4.370 317 HA3 GLY 42 HA2 GLY 42 -6.809 -6.843 -4.914 318 H LYS 43 HN LYS 43 -8.129 -6.203 -2.588 319 HA LYS 43 HA LYS 43 -7.052 -6.119 -0.198 320 HB2 LYS 43 HB2 LYS 43 -8.799 -8.079 0.336 321 HB3 LYS 43 HB3 LYS 43 -9.284 -6.434 -0.019 322 HG2 LYS 43 HG2 LYS 43 -10.189 -6.996 -2.052 323 HG3 LYS 43 HG3 LYS 43 -8.880 -8.092 -2.447 324 HD2 LYS 43 HD2 LYS 43 -11.089 -9.262 -2.147 325 HD3 LYS 43 HD3 LYS 43 -9.841 -9.865 -1.074 326 HE2 LYS 43 HE2 LYS 43 -11.292 -7.610 0.137 327 HE3 LYS 43 HE3 LYS 43 -12.387 -8.900 -0.320 328 HZ1 LYS 43 HZ1 LYS 43 -10.447 -8.881 1.782 329 HZ2 LYS 43 HZ2 LYS 43 -11.699 -9.898 1.563 330 H GLU 44 HN GLU 44 -6.883 -8.992 -2.361 331 HA GLU 44 HA GLU 44 -5.955 -10.895 -0.822 332 HB2 GLU 44 HB2 GLU 44 -5.693 -10.193 -3.582 333 HB3 GLU 44 HB3 GLU 44 -4.109 -10.725 -3.053 334 HG2 GLU 44 HG2 GLU 44 -4.799 -12.896 -2.703 335 HG3 GLU 44 HG3 GLU 44 -6.363 -12.414 -2.077 336 HE2 GLU 44 HE2 GLU 44 -5.755 -13.156 -5.931 337 H MET 45 HN MET 45 -3.493 -8.786 -2.469 338 HA MET 45 HA MET 45 -1.579 -9.458 -0.505 339 HB2 MET 45 HB2 MET 45 -1.514 -8.557 -3.114 340 HB3 MET 45 HB3 MET 45 -1.179 -7.056 -2.274 341 HG2 MET 45 HG2 MET 45 0.603 -8.453 -0.932 342 HG3 MET 45 HG3 MET 45 0.424 -9.639 -2.210 343 HE1 MET 45 HE1 MET 45 1.005 -7.398 -5.360 344 HE2 MET 45 HE2 MET 45 1.476 -9.057 -4.918 345 HE3 MET 45 HE3 MET 45 -0.175 -8.481 -4.584 346 H ALA 46 HN ALA 46 -3.456 -6.469 -1.328 347 HA ALA 46 HA ALA 46 -2.357 -4.692 0.390 348 HB1 ALA 46 HB1 ALA 46 -4.872 -5.074 -1.011 349 HB2 ALA 46 HB2 ALA 46 -5.152 -4.307 0.571 350 HB3 ALA 46 HB3 ALA 46 -4.032 -3.561 -0.594 351 H HIS 47 HN HIS 47 -4.170 -7.613 1.153 352 HA HIS 47 HA HIS 47 -4.393 -6.742 3.928 353 HB2 HIS 47 HB2 HIS 47 -5.661 -9.059 2.443 354 HB3 HIS 47 HB3 HIS 47 -5.849 -8.764 4.160 355 HD1 HIS 47 HD1 HIS 47 -8.300 -8.757 2.255 356 HD2 HIS 47 HD2 HIS 47 -6.172 -5.322 3.382 357 HE1 HIS 47 HE1 HIS 47 -9.897 -6.791 1.942 358 H GLY 48 HN GLY 48 -3.398 -9.645 1.973 359 HA2 GLY 48 HA1 GLY 48 -2.105 -10.996 4.039 360 HA3 GLY 48 HA2 GLY 48 -1.800 -11.183 2.324 361 H LYS 49 HN LYS 49 0.463 -11.312 2.375 362 HA LYS 49 HA LYS 49 1.956 -9.361 3.861 363 HB2 LYS 49 HB2 LYS 49 2.527 -11.841 2.320 364 HB3 LYS 49 HB3 LYS 49 3.814 -10.654 2.389 365 HG2 LYS 49 HG2 LYS 49 2.930 -10.677 5.024 366 HG3 LYS 49 HG3 LYS 49 2.689 -12.348 4.556 367 HD2 LYS 49 HD2 LYS 49 4.971 -12.729 4.181 368 HD3 LYS 49 HD3 LYS 49 5.301 -11.052 3.791 369 HE2 LYS 49 HE2 LYS 49 6.238 -11.124 5.915 370 HE3 LYS 49 HE3 LYS 49 4.607 -10.655 6.351 371 HZ1 LYS 49 HZ1 LYS 49 4.135 -12.776 7.117 372 HZ2 LYS 49 HZ2 LYS 49 5.219 -13.524 6.160 373 H GLY 50 HN GLY 50 0.380 -7.818 2.367 374 HA2 GLY 50 HA1 GLY 50 1.992 -7.076 0.002 375 HA3 GLY 50 HA2 GLY 50 0.273 -6.791 0.189 376 H CYS 51 HN CYS 51 -0.238 -5.557 2.450 377 HA CYS 51 HA CYS 51 1.691 -3.353 2.576 378 HB2 CYS 51 HB2 CYS 51 -1.292 -3.101 2.980 379 HB3 CYS 51 HB3 CYS 51 -0.110 -1.809 2.911 380 H LYS 52 HN LYS 52 -1.039 -5.035 4.305 381 HA LYS 52 HA LYS 52 -0.354 -4.092 6.841 382 HB2 LYS 52 HB2 LYS 52 -1.761 -6.706 6.277 383 HB3 LYS 52 HB3 LYS 52 -1.952 -5.644 7.658 384 HG2 LYS 52 HG2 LYS 52 -2.595 -3.871 5.710 385 HG3 LYS 52 HG3 LYS 52 -3.030 -5.344 4.865 386 HD2 LYS 52 HD2 LYS 52 -4.944 -4.353 6.163 387 HD3 LYS 52 HD3 LYS 52 -4.575 -6.000 6.637 388 HE2 LYS 52 HE2 LYS 52 -3.018 -4.024 8.184 389 HE3 LYS 52 HE3 LYS 52 -4.746 -3.783 8.354 390 HZ1 LYS 52 HZ1 LYS 52 -4.745 -6.351 8.723 391 HZ2 LYS 52 HZ2 LYS 52 -3.169 -6.157 9.082 392 H GLY 53 HN GLY 53 1.025 -6.583 4.782 393 HA2 GLY 53 HA1 GLY 53 2.221 -8.181 6.779 394 HA3 GLY 53 HA2 GLY 53 2.690 -8.063 5.095 395 H CYS 54 HN CYS 54 3.404 -5.352 4.832 396 HA CYS 54 HA CYS 54 5.865 -5.383 6.348 397 HB2 CYS 54 HB2 CYS 54 5.658 -4.953 3.804 398 HB3 CYS 54 HB3 CYS 54 5.109 -3.348 4.245 399 H HIS 55 HN HIS 55 3.124 -4.814 7.555 400 HA HIS 55 HA HIS 55 3.732 -2.108 8.503 401 HB2 HIS 55 HB2 HIS 55 1.107 -3.384 7.777 402 HB3 HIS 55 HB3 HIS 55 1.158 -2.122 8.992 403 HD1 HIS 55 HD1 HIS 55 -0.422 -1.149 6.814 404 HD2 HIS 55 HD2 HIS 55 3.761 -1.084 6.510 405 HE1 HIS 55 HE1 HIS 55 0.136 0.561 5.004 406 H GLU 56 HN GLU 56 1.621 -4.913 9.459 407 HA GLU 56 HA GLU 56 1.763 -4.480 12.126 408 HB2 GLU 56 HB2 GLU 56 1.099 -6.746 10.353 409 HB3 GLU 56 HB3 GLU 56 1.665 -7.265 11.928 410 HG2 GLU 56 HG2 GLU 56 0.002 -5.600 12.960 411 HG3 GLU 56 HG3 GLU 56 -0.650 -5.364 11.351 412 HE2 GLU 56 HE2 GLU 56 -2.552 -8.221 11.570 413 H GLU 57 HN GLU 57 3.992 -6.448 10.062 414 HA GLU 57 HA GLU 57 5.519 -7.638 11.869 415 HB2 GLU 57 HB2 GLU 57 5.926 -6.562 9.165 416 HB3 GLU 57 HB3 GLU 57 7.421 -6.592 10.078 417 HG2 GLU 57 HG2 GLU 57 5.878 -9.059 10.489 418 HG3 GLU 57 HG3 GLU 57 6.187 -8.782 8.786 419 HE2 GLU 57 HE2 GLU 57 8.641 -8.761 11.716 420 H MET 58 HN MET 58 5.666 -4.147 10.972 421 HA MET 58 HA MET 58 7.708 -3.776 12.991 422 HB2 MET 58 HB2 MET 58 6.453 -1.875 10.931 423 HB3 MET 58 HB3 MET 58 7.761 -1.426 12.007 424 HG2 MET 58 HG2 MET 58 8.488 -3.900 10.685 425 HG3 MET 58 HG3 MET 58 7.939 -2.767 9.466 426 HE1 MET 58 HE1 MET 58 11.318 -1.429 8.786 427 HE2 MET 58 HE2 MET 58 10.503 -2.994 8.555 428 HE3 MET 58 HE3 MET 58 9.610 -1.478 8.288 429 H LYS 59 HN LYS 59 4.277 -3.535 12.533 430 HA LYS 59 HA LYS 59 2.649 -2.898 13.885 431 HB2 LYS 59 HB2 LYS 59 4.489 -3.744 15.635 432 HB3 LYS 59 HB3 LYS 59 4.456 -2.058 16.109 433 HG2 LYS 59 HG2 LYS 59 2.756 -2.974 17.454 434 HG3 LYS 59 HG3 LYS 59 1.842 -2.326 16.107 435 HD2 LYS 59 HD2 LYS 59 0.952 -4.406 15.878 436 HD3 LYS 59 HD3 LYS 59 2.496 -4.883 15.201 437 HE2 LYS 59 HE2 LYS 59 2.109 -4.875 18.211 438 HE3 LYS 59 HE3 LYS 59 1.507 -6.217 17.259 439 HZ1 LYS 59 HZ1 LYS 59 3.666 -6.778 16.587 440 HZ2 LYS 59 HZ2 LYS 59 4.297 -5.314 16.917 441 H LYS 60 HN LYS 60 3.276 -1.175 11.928 442 HA LYS 60 HA LYS 60 2.578 1.332 13.119 443 HB2 LYS 60 HB2 LYS 60 5.356 0.794 12.369 444 HB3 LYS 60 HB3 LYS 60 4.692 2.178 11.524 445 HG2 LYS 60 HG2 LYS 60 4.500 1.779 14.547 446 HG3 LYS 60 HG3 LYS 60 5.746 2.733 13.765 447 HD2 LYS 60 HD2 LYS 60 3.331 3.690 12.647 448 HD3 LYS 60 HD3 LYS 60 2.952 3.438 14.339 449 HE2 LYS 60 HE2 LYS 60 5.498 4.887 13.522 450 HE3 LYS 60 HE3 LYS 60 3.972 5.745 13.610 451 HZ1 LYS 60 HZ1 LYS 60 4.288 5.876 15.815 452 HZ2 LYS 60 HZ2 LYS 60 4.193 4.256 15.958 453 H GLY 61 HN GLY 61 1.164 2.358 11.782 454 HA2 GLY 61 HA1 GLY 61 0.757 3.109 9.495 455 HA3 GLY 61 HA2 GLY 61 1.147 1.489 8.952 456 HA PRO 62 HA PRO 62 -3.486 2.005 9.680 457 HB2 PRO 62 HB2 PRO 62 -4.214 1.468 7.071 458 HB3 PRO 62 HB3 PRO 62 -3.790 3.108 7.662 459 HG2 PRO 62 HG2 PRO 62 -2.047 1.114 6.239 460 HG3 PRO 62 HG3 PRO 62 -2.265 2.853 5.855 461 HD2 PRO 62 HD2 PRO 62 -0.145 1.986 7.326 462 HD3 PRO 62 HD3 PRO 62 -0.990 3.501 7.767 463 H THR 63 HN THR 63 -3.391 0.035 10.962 464 HA THR 63 HA THR 63 -3.230 -2.430 9.368 465 HB THR 63 HB THR 63 -2.959 -3.361 11.819 466 HG1 THR 63 HG1 THR 63 -3.560 -1.436 12.935 467 HG21 THR 63 HG21 THR 63 -1.010 -3.119 10.228 468 HG22 THR 63 HG22 THR 63 -0.842 -1.424 10.744 469 HG23 THR 63 HG23 THR 63 -0.563 -2.740 11.908 470 H LYS 64 HN LYS 64 -5.438 -0.273 10.870 471 HA LYS 64 HA LYS 64 -7.378 -2.410 11.290 472 HB2 LYS 64 HB2 LYS 64 -7.715 0.528 11.919 473 HB3 LYS 64 HB3 LYS 64 -8.648 -0.822 12.531 474 HG2 LYS 64 HG2 LYS 64 -7.232 -0.776 14.318 475 HG3 LYS 64 HG3 LYS 64 -6.077 -1.563 13.260 476 HD2 LYS 64 HD2 LYS 64 -4.723 0.230 13.610 477 HD3 LYS 64 HD3 LYS 64 -5.799 1.128 12.558 478 HE2 LYS 64 HE2 LYS 64 -6.235 2.488 14.326 479 HE3 LYS 64 HE3 LYS 64 -7.138 1.161 15.030 480 HZ1 LYS 64 HZ1 LYS 64 -5.599 1.263 16.660 481 HZ2 LYS 64 HZ2 LYS 64 -4.549 0.552 15.637 482 H CYS 65 HN CYS 65 -9.663 -1.962 10.464 483 HA CYS 65 HA CYS 65 -9.434 -1.430 7.669 484 HB2 CYS 65 HB2 CYS 65 -12.108 -1.785 8.898 485 HB3 CYS 65 HB3 CYS 65 -11.431 -2.478 7.438 486 H GLY 66 HN GLY 66 -9.770 0.461 10.463 487 HA2 GLY 66 HA1 GLY 66 -11.530 2.451 9.215 488 HA3 GLY 66 HA2 GLY 66 -11.015 2.395 10.889 489 H GLU 67 HN GLU 67 -8.317 1.623 8.998 490 HA GLU 67 HA GLU 67 -7.455 4.401 9.137 491 HB2 GLU 67 HB2 GLU 67 -6.295 2.249 10.329 492 HB3 GLU 67 HB3 GLU 67 -5.453 2.200 8.793 493 HG2 GLU 67 HG2 GLU 67 -4.108 3.888 9.475 494 HG3 GLU 67 HG3 GLU 67 -5.499 4.948 9.596 495 HE2 GLU 67 HE2 GLU 67 -4.047 2.464 12.055 496 H CYS 68 HN CYS 68 -7.387 1.399 7.124 497 HA CYS 68 HA CYS 68 -6.261 2.856 4.916 498 HB2 CYS 68 HB2 CYS 68 -6.794 0.016 5.569 499 HB3 CYS 68 HB3 CYS 68 -6.983 0.433 3.877 500 H HIS 69 HN HIS 69 -9.330 1.067 5.717 501 HA HIS 69 HA HIS 69 -10.607 2.276 3.427 502 HB2 HIS 69 HB2 HIS 69 -11.604 0.301 5.499 503 HB3 HIS 69 HB3 HIS 69 -12.540 0.863 4.128 504 HD1 HIS 69 HD1 HIS 69 -11.278 0.370 1.675 505 HD2 HIS 69 HD2 HIS 69 -10.166 -1.964 4.978 506 HE1 HIS 69 HE1 HIS 69 -10.153 -1.716 0.730 507 H LYS 70 HN LYS 70 -10.415 4.521 4.158 508 HA LYS 70 HA LYS 70 -12.367 5.119 6.273 509 HB2 LYS 70 HB2 LYS 70 -10.060 5.618 6.968 510 HB3 LYS 70 HB3 LYS 70 -9.840 6.638 5.560 511 HG2 LYS 70 HG2 LYS 70 -12.061 7.828 6.484 512 HG3 LYS 70 HG3 LYS 70 -11.551 7.117 8.002 513 HD2 LYS 70 HD2 LYS 70 -10.271 9.002 8.210 514 HD3 LYS 70 HD3 LYS 70 -9.164 8.171 7.136 515 HE2 LYS 70 HE2 LYS 70 -9.708 9.492 5.313 516 HE3 LYS 70 HE3 LYS 70 -11.390 9.642 5.782 517 HZ1 LYS 70 HZ1 LYS 70 -10.092 10.983 7.758 518 HZ2 LYS 70 HZ2 LYS 70 -9.181 11.358 6.461 519 H LYS 71 HN LYS 71 -11.063 7.841 4.640 520 HA LYS 71 HA LYS 71 -13.378 8.843 3.741 521 HB2 LYS 71 HB2 LYS 71 -12.084 10.462 2.885 522 HB3 LYS 71 HB3 LYS 71 -10.755 9.571 3.599 523 HG2 LYS 71 HG2 LYS 71 -10.390 8.347 1.472 524 HG3 LYS 71 HG3 LYS 71 -11.775 9.143 0.751 525 HD2 LYS 71 HD2 LYS 71 -10.168 10.600 -0.024 526 HD3 LYS 71 HD3 LYS 71 -10.414 11.354 1.539 527 HE2 LYS 71 HE2 LYS 71 -8.328 9.175 1.072 528 HE3 LYS 71 HE3 LYS 71 -7.971 10.881 0.891 529 HZ1 LYS 71 HZ1 LYS 71 -7.740 9.606 3.214 530 HZ2 LYS 71 HZ2 LYS 71 -8.066 11.199 3.137 Start of MODEL 19 1 H1 ALA 1 HN ALA 1 -0.955 15.076 -4.807 2 HA ALA 1 HA ALA 1 -0.539 14.630 -7.560 3 HB1 ALA 1 HB1 ALA 1 0.332 16.631 -6.686 4 HB2 ALA 1 HB2 ALA 1 1.053 15.815 -5.278 5 HB3 ALA 1 HB3 ALA 1 1.780 15.615 -6.891 6 H ASP 2 HN ASP 2 2.357 14.124 -5.708 7 HA ASP 2 HA ASP 2 3.052 11.870 -7.050 8 HB2 ASP 2 HB2 ASP 2 3.866 12.494 -4.177 9 HB3 ASP 2 HB3 ASP 2 4.795 11.586 -5.353 10 HD2 ASP 2 HD2 ASP 2 6.601 13.618 -6.286 11 H ASP 3 HN ASP 3 0.870 12.333 -4.326 12 HA ASP 3 HA ASP 3 1.071 9.867 -3.114 13 HB2 ASP 3 HB2 ASP 3 -0.251 12.033 -2.451 14 HB3 ASP 3 HB3 ASP 3 -1.543 11.386 -3.443 15 HD2 ASP 3 HD2 ASP 3 -0.922 11.043 0.059 16 H ILE 4 HN ILE 4 -1.339 8.531 -3.130 17 HA ILE 4 HA ILE 4 -2.315 8.216 -5.814 18 HB ILE 4 HB ILE 4 -0.590 6.122 -4.509 19 HG12 ILE 4 HG12 ILE 4 -0.483 7.743 -7.031 20 HG13 ILE 4 HG13 ILE 4 0.773 7.435 -5.849 21 HG21 ILE 4 HG21 ILE 4 -1.348 4.510 -6.134 22 HG22 ILE 4 HG22 ILE 4 -2.743 5.109 -5.205 23 HG23 ILE 4 HG23 ILE 4 -2.455 5.700 -6.859 24 HD11 ILE 4 HD11 ILE 4 0.601 4.938 -6.584 25 HD12 ILE 4 HD12 ILE 4 -0.293 5.564 -7.990 26 HD13 ILE 4 HD13 ILE 4 1.386 6.080 -7.700 27 H VAL 5 HN VAL 5 -4.449 7.673 -5.741 28 HA VAL 5 HA VAL 5 -5.421 6.689 -3.147 29 HB VAL 5 HB VAL 5 -6.924 8.366 -5.160 30 HG11 VAL 5 HG11 VAL 5 -8.686 7.806 -3.908 31 HG12 VAL 5 HG12 VAL 5 -7.652 6.964 -2.729 32 HG13 VAL 5 HG13 VAL 5 -7.946 8.712 -2.565 33 HG21 VAL 5 HG21 VAL 5 -5.967 10.233 -4.399 34 HG22 VAL 5 HG22 VAL 5 -6.267 9.761 -2.709 35 HG23 VAL 5 HG23 VAL 5 -4.788 9.217 -3.536 36 H PHE 6 HN PHE 6 -6.740 4.880 -3.133 37 HA PHE 6 HA PHE 6 -7.228 3.701 -5.778 38 HB2 PHE 6 HB2 PHE 6 -6.608 2.520 -3.007 39 HB3 PHE 6 HB3 PHE 6 -7.113 1.525 -4.358 40 HD1 PHE 6 HD2 PHE 6 -5.631 1.281 -6.335 41 HD2 PHE 6 HD1 PHE 6 -4.369 3.340 -2.845 42 HE1 PHE 6 HE2 PHE 6 -3.243 1.086 -7.083 43 HE2 PHE 6 HE1 PHE 6 -1.981 3.144 -3.594 44 HZ PHE 6 HZ PHE 6 -1.446 2.019 -5.704 45 H LYS 7 HN LYS 7 -9.366 3.977 -6.259 46 HA LYS 7 HA LYS 7 -11.368 4.547 -4.504 47 HB2 LYS 7 HB2 LYS 7 -11.285 3.304 -7.236 48 HB3 LYS 7 HB3 LYS 7 -12.813 3.387 -6.382 49 HG2 LYS 7 HG2 LYS 7 -11.259 5.915 -6.270 50 HG3 LYS 7 HG3 LYS 7 -11.706 5.442 -7.898 51 HD2 LYS 7 HD2 LYS 7 -14.089 4.983 -6.679 52 HD3 LYS 7 HD3 LYS 7 -13.471 6.207 -5.587 53 HE2 LYS 7 HE2 LYS 7 -13.501 6.585 -8.614 54 HE3 LYS 7 HE3 LYS 7 -14.847 7.057 -7.596 55 HZ1 LYS 7 HZ1 LYS 7 -12.184 8.250 -7.753 56 HZ2 LYS 7 HZ2 LYS 7 -13.625 8.982 -7.554 57 H ALA 8 HN ALA 8 -12.577 3.465 -3.014 58 HA ALA 8 HA ALA 8 -12.452 0.540 -3.076 59 HB1 ALA 8 HB1 ALA 8 -11.109 2.250 -1.210 60 HB2 ALA 8 HB2 ALA 8 -12.449 1.447 -0.354 61 HB3 ALA 8 HB3 ALA 8 -11.222 0.473 -1.200 62 H LYS 9 HN LYS 9 -14.321 -0.495 -2.175 63 HA LYS 9 HA LYS 9 -16.646 1.221 -2.272 64 HB2 LYS 9 HB2 LYS 9 -16.619 -1.768 -1.838 65 HB3 LYS 9 HB3 LYS 9 -17.903 -0.771 -2.492 66 HG2 LYS 9 HG2 LYS 9 -16.017 -0.150 -4.312 67 HG3 LYS 9 HG3 LYS 9 -15.354 -1.694 -3.814 68 HD2 LYS 9 HD2 LYS 9 -16.819 -2.672 -5.247 69 HD3 LYS 9 HD3 LYS 9 -18.089 -2.246 -4.118 70 HE2 LYS 9 HE2 LYS 9 -18.731 -0.333 -5.336 71 HE3 LYS 9 HE3 LYS 9 -17.155 -0.144 -6.078 72 HZ1 LYS 9 HZ1 LYS 9 -19.369 -1.562 -7.088 73 HZ2 LYS 9 HZ2 LYS 9 -17.937 -1.299 -7.819 74 H ASN 10 HN ASN 10 -14.459 1.007 0.006 75 HA ASN 10 HA ASN 10 -16.469 1.089 2.080 76 HB2 ASN 10 HB2 ASN 10 -14.665 -1.101 1.786 77 HB3 ASN 10 HB3 ASN 10 -13.996 -0.137 3.086 78 HD21 ASN 10 HD21 ASN 10 -14.524 -2.058 4.337 79 HD22 ASN 10 HD22 ASN 10 -16.104 -2.233 5.024 80 H GLY 11 HN GLY 11 -14.632 2.943 0.437 81 HA2 GLY 11 HA1 GLY 11 -13.989 5.059 1.401 82 HA3 GLY 11 HA2 GLY 11 -13.236 4.192 2.725 83 H ASP 12 HN ASP 12 -12.304 6.074 0.356 84 HA ASP 12 HA ASP 12 -10.702 4.652 -1.330 85 HB2 ASP 12 HB2 ASP 12 -11.030 7.407 -0.470 86 HB3 ASP 12 HB3 ASP 12 -9.318 7.065 -0.615 87 HD2 ASP 12 HD2 ASP 12 -11.776 8.158 -2.902 88 H VAL 13 HN VAL 13 -8.451 3.989 -1.213 89 HA VAL 13 HA VAL 13 -7.388 3.946 1.525 90 HB VAL 13 HB VAL 13 -7.308 2.014 -0.768 91 HG11 VAL 13 HG11 VAL 13 -5.557 0.730 0.493 92 HG12 VAL 13 HG12 VAL 13 -4.975 2.247 -0.237 93 HG13 VAL 13 HG13 VAL 13 -5.310 2.170 1.510 94 HG21 VAL 13 HG21 VAL 13 -8.701 2.170 1.674 95 HG22 VAL 13 HG22 VAL 13 -8.634 0.793 0.547 96 HG23 VAL 13 HG23 VAL 13 -7.477 0.897 1.897 97 H LYS 14 HN LYS 14 -6.155 5.810 1.616 98 HA LYS 14 HA LYS 14 -4.616 6.669 -0.610 99 HB2 LYS 14 HB2 LYS 14 -5.556 7.788 1.765 100 HB3 LYS 14 HB3 LYS 14 -3.819 7.741 1.987 101 HG2 LYS 14 HG2 LYS 14 -4.239 8.589 -0.709 102 HG3 LYS 14 HG3 LYS 14 -5.394 9.482 0.261 103 HD2 LYS 14 HD2 LYS 14 -3.326 9.887 1.874 104 HD3 LYS 14 HD3 LYS 14 -2.370 9.460 0.469 105 HE2 LYS 14 HE2 LYS 14 -3.233 11.295 -0.821 106 HE3 LYS 14 HE3 LYS 14 -4.569 11.555 0.283 107 HZ1 LYS 14 HZ1 LYS 14 -3.233 13.051 1.277 108 HZ2 LYS 14 HZ2 LYS 14 -2.320 11.827 1.843 109 H PHE 15 HN PHE 15 -2.355 6.565 -0.937 110 HA PHE 15 HA PHE 15 -0.840 4.951 0.937 111 HB2 PHE 15 HB2 PHE 15 -1.887 3.401 -0.774 112 HB3 PHE 15 HB3 PHE 15 -1.231 4.389 -2.065 113 HD1 PHE 15 HD1 PHE 15 0.526 3.376 1.042 114 HD2 PHE 15 HD2 PHE 15 0.159 2.839 -3.152 115 HE1 PHE 15 HE1 PHE 15 2.613 1.982 1.038 116 HE2 PHE 15 HE2 PHE 15 2.247 1.446 -3.156 117 HZ PHE 15 HZ PHE 15 3.449 1.034 -1.061 118 HA PRO 16 HA PRO 16 1.773 8.398 -0.215 119 HB2 PRO 16 HB2 PRO 16 3.530 7.156 1.858 120 HB3 PRO 16 HB3 PRO 16 2.780 8.784 1.790 121 HG2 PRO 16 HG2 PRO 16 1.929 6.854 3.535 122 HG3 PRO 16 HG3 PRO 16 0.934 8.159 2.811 123 HD2 PRO 16 HD2 PRO 16 1.207 5.221 2.029 124 HD3 PRO 16 HD3 PRO 16 -0.264 6.239 2.091 125 H HIS 17 HN HIS 17 2.244 7.408 -2.365 126 HA HIS 17 HA HIS 17 3.952 5.214 -2.593 127 HB2 HIS 17 HB2 HIS 17 2.374 6.168 -4.326 128 HB3 HIS 17 HB3 HIS 17 3.552 7.434 -4.612 129 HD1 HIS 17 HD1 HIS 17 5.425 6.923 -6.228 130 HD2 HIS 17 HD2 HIS 17 3.406 3.474 -4.952 131 HE1 HIS 17 HE1 HIS 17 6.336 4.999 -7.635 132 H LYS 18 HN LYS 18 4.587 8.779 -2.898 133 HA LYS 18 HA LYS 18 7.347 8.482 -3.247 134 HB2 LYS 18 HB2 LYS 18 6.014 10.487 -3.854 135 HB3 LYS 18 HB3 LYS 18 5.795 10.848 -2.154 136 HG2 LYS 18 HG2 LYS 18 8.598 10.413 -2.515 137 HG3 LYS 18 HG3 LYS 18 8.085 11.415 -3.858 138 HD2 LYS 18 HD2 LYS 18 8.193 13.186 -2.439 139 HD3 LYS 18 HD3 LYS 18 6.744 12.558 -1.678 140 HE2 LYS 18 HE2 LYS 18 9.122 11.125 -0.728 141 HE3 LYS 18 HE3 LYS 18 9.299 12.851 -0.487 142 HZ1 LYS 18 HZ1 LYS 18 7.082 12.823 0.609 143 HZ2 LYS 18 HZ2 LYS 18 7.017 11.203 0.462 144 H ALA 19 HN ALA 19 5.394 9.307 -0.295 145 HA ALA 19 HA ALA 19 7.430 9.496 1.500 146 HB1 ALA 19 HB1 ALA 19 4.631 9.362 1.527 147 HB2 ALA 19 HB2 ALA 19 5.148 8.023 2.580 148 HB3 ALA 19 HB3 ALA 19 5.692 9.683 2.921 149 H HIS 20 HN HIS 20 5.789 6.515 0.282 150 HA HIS 20 HA HIS 20 7.263 4.796 1.958 151 HB2 HIS 20 HB2 HIS 20 5.436 4.506 -0.388 152 HB3 HIS 20 HB3 HIS 20 6.466 3.146 0.013 153 HD1 HIS 20 HD1 HIS 20 3.718 5.304 1.521 154 HD2 HIS 20 HD2 HIS 20 5.665 1.654 2.216 155 HE1 HIS 20 HE1 HIS 20 2.404 4.133 3.369 156 H GLN 21 HN GLN 21 7.903 6.432 -1.093 157 HA GLN 21 HA GLN 21 9.905 4.647 -1.944 158 HB2 GLN 21 HB2 GLN 21 9.194 7.508 -2.692 159 HB3 GLN 21 HB3 GLN 21 10.537 6.664 -3.438 160 HG2 GLN 21 HG2 GLN 21 7.980 5.125 -3.361 161 HG3 GLN 21 HG3 GLN 21 7.938 6.569 -4.353 162 HE21 GLN 21 HE21 GLN 21 8.235 6.074 -6.380 163 HE22 GLN 21 HE22 GLN 21 9.403 4.977 -7.037 164 H LYS 22 HN LYS 22 9.734 6.913 0.613 165 HA LYS 22 HA LYS 22 12.641 7.294 0.576 166 HB2 LYS 22 HB2 LYS 22 10.627 9.155 0.869 167 HB3 LYS 22 HB3 LYS 22 11.067 8.827 2.533 168 HG2 LYS 22 HG2 LYS 22 13.542 8.989 1.163 169 HG3 LYS 22 HG3 LYS 22 12.571 10.272 0.469 170 HD2 LYS 22 HD2 LYS 22 12.048 10.438 3.240 171 HD3 LYS 22 HD3 LYS 22 13.762 10.084 3.150 172 HE2 LYS 22 HE2 LYS 22 14.184 12.018 1.743 173 HE3 LYS 22 HE3 LYS 22 12.472 12.275 1.466 174 HZ1 LYS 22 HZ1 LYS 22 13.848 12.571 4.083 175 HZ2 LYS 22 HZ2 LYS 22 13.271 13.788 3.167 176 H ALA 23 HN ALA 23 9.941 5.695 2.132 177 HA ALA 23 HA ALA 23 11.436 5.180 4.551 178 HB1 ALA 23 HB1 ALA 23 9.353 4.965 5.359 179 HB2 ALA 23 HB2 ALA 23 8.695 5.207 3.723 180 HB3 ALA 23 HB3 ALA 23 9.076 3.565 4.295 181 H VAL 24 HN VAL 24 10.140 3.346 1.701 182 HA VAL 24 HA VAL 24 11.899 1.136 2.476 183 HB VAL 24 HB VAL 24 9.547 1.256 0.578 184 HG11 VAL 24 HG11 VAL 24 11.281 -0.419 -0.052 185 HG12 VAL 24 HG12 VAL 24 11.092 -1.169 1.551 186 HG13 VAL 24 HG13 VAL 24 9.726 -1.151 0.410 187 HG21 VAL 24 HG21 VAL 24 9.146 1.477 3.118 188 HG22 VAL 24 HG22 VAL 24 8.236 0.229 2.233 189 HG23 VAL 24 HG23 VAL 24 9.653 -0.227 3.207 190 HA PRO 25 HA PRO 25 14.520 2.290 -0.875 191 HB2 PRO 25 HB2 PRO 25 16.340 0.289 -0.613 192 HB3 PRO 25 HB3 PRO 25 16.144 1.548 0.649 193 HG2 PRO 25 HG2 PRO 25 15.012 -1.398 0.878 194 HG3 PRO 25 HG3 PRO 25 15.881 -0.121 1.791 195 HD2 PRO 25 HD2 PRO 25 13.005 -0.588 1.580 196 HD3 PRO 25 HD3 PRO 25 13.839 0.729 2.461 197 H ASP 26 HN ASP 26 15.160 -1.178 -1.110 198 HA ASP 26 HA ASP 26 14.815 -1.400 -3.711 199 HB2 ASP 26 HB2 ASP 26 15.589 -3.246 -2.275 200 HB3 ASP 26 HB3 ASP 26 13.992 -3.422 -1.577 201 HD2 ASP 26 HD2 ASP 26 14.327 -5.616 -2.311 202 H CYS 27 HN CYS 27 13.086 -1.136 -5.138 203 HA CYS 27 HA CYS 27 10.454 -0.843 -4.006 204 HB2 CYS 27 HB2 CYS 27 11.457 -0.489 -6.838 205 HB3 CYS 27 HB3 CYS 27 9.823 -0.156 -6.300 206 H LYS 28 HN LYS 28 12.470 -3.219 -5.609 207 HA LYS 28 HA LYS 28 10.687 -4.719 -7.027 208 HB2 LYS 28 HB2 LYS 28 13.011 -5.663 -5.323 209 HB3 LYS 28 HB3 LYS 28 12.210 -6.621 -6.551 210 HG2 LYS 28 HG2 LYS 28 12.902 -4.029 -7.672 211 HG3 LYS 28 HG3 LYS 28 14.321 -4.721 -6.911 212 HD2 LYS 28 HD2 LYS 28 12.833 -6.745 -8.441 213 HD3 LYS 28 HD3 LYS 28 13.279 -5.383 -9.451 214 HE2 LYS 28 HE2 LYS 28 15.639 -5.619 -8.860 215 HE3 LYS 28 HE3 LYS 28 15.269 -6.805 -7.624 216 HZ1 LYS 28 HZ1 LYS 28 15.408 -7.171 -10.498 217 HZ2 LYS 28 HZ2 LYS 28 15.703 -8.246 -9.311 218 H LYS 29 HN LYS 29 10.834 -4.154 -3.570 219 HA LYS 29 HA LYS 29 9.548 -6.474 -2.700 220 HB2 LYS 29 HB2 LYS 29 9.743 -3.676 -1.565 221 HB3 LYS 29 HB3 LYS 29 8.926 -4.980 -0.727 222 HG2 LYS 29 HG2 LYS 29 11.826 -5.094 -1.684 223 HG3 LYS 29 HG3 LYS 29 11.340 -4.707 -0.045 224 HD2 LYS 29 HD2 LYS 29 9.944 -7.075 -0.538 225 HD3 LYS 29 HD3 LYS 29 11.443 -7.337 -1.408 226 HE2 LYS 29 HE2 LYS 29 12.550 -6.392 0.838 227 HE3 LYS 29 HE3 LYS 29 11.024 -6.875 1.552 228 HZ1 LYS 29 HZ1 LYS 29 13.083 -8.557 1.154 229 HZ2 LYS 29 HZ2 LYS 29 11.540 -9.058 1.293 230 H CYS 30 HN CYS 30 8.391 -3.517 -4.285 231 HA CYS 30 HA CYS 30 5.661 -4.525 -3.952 232 HB2 CYS 30 HB2 CYS 30 6.641 -1.700 -4.465 233 HB3 CYS 30 HB3 CYS 30 4.957 -2.181 -4.522 234 H HIS 31 HN HIS 31 8.229 -3.355 -6.164 235 HA HIS 31 HA HIS 31 6.537 -4.176 -8.410 236 HB2 HIS 31 HB2 HIS 31 8.832 -2.197 -8.339 237 HB3 HIS 31 HB3 HIS 31 7.982 -2.696 -9.788 238 HD1 HIS 31 HD1 HIS 31 5.146 -2.322 -9.439 239 HD2 HIS 31 HD2 HIS 31 7.840 0.145 -7.378 240 HE1 HIS 31 HE1 HIS 31 3.843 -0.228 -8.789 241 H GLU 32 HN GLU 32 7.371 -6.382 -7.421 242 HA GLU 32 HA GLU 32 10.018 -7.075 -7.694 243 HB2 GLU 32 HB2 GLU 32 9.128 -9.443 -7.768 244 HB3 GLU 32 HB3 GLU 32 8.518 -8.482 -6.436 245 HG2 GLU 32 HG2 GLU 32 6.444 -9.112 -7.136 246 HG3 GLU 32 HG3 GLU 32 6.650 -7.935 -8.418 247 HE2 GLU 32 HE2 GLU 32 5.630 -10.852 -9.934 248 H LYS 33 HN LYS 33 7.304 -7.100 -10.054 249 HA LYS 33 HA LYS 33 9.075 -8.191 -12.085 250 HB2 LYS 33 HB2 LYS 33 7.155 -8.624 -13.347 251 HB3 LYS 33 HB3 LYS 33 6.671 -8.966 -11.699 252 HG2 LYS 33 HG2 LYS 33 5.013 -7.431 -11.849 253 HG3 LYS 33 HG3 LYS 33 6.190 -6.168 -12.149 254 HD2 LYS 33 HD2 LYS 33 6.078 -6.469 -14.531 255 HD3 LYS 33 HD3 LYS 33 5.281 -8.023 -14.382 256 HE2 LYS 33 HE2 LYS 33 3.294 -6.944 -14.585 257 HE3 LYS 33 HE3 LYS 33 3.574 -6.242 -13.004 258 HZ1 LYS 33 HZ1 LYS 33 4.324 -4.280 -13.937 259 HZ2 LYS 33 HZ2 LYS 33 4.864 -4.966 -15.312 260 H GLY 34 HN GLY 34 9.827 -5.653 -10.972 261 HA2 GLY 34 HA1 GLY 34 10.716 -3.766 -11.873 262 HA3 GLY 34 HA2 GLY 34 9.961 -4.132 -13.411 263 HA PRO 35 HA PRO 35 7.934 -0.618 -10.712 264 HB2 PRO 35 HB2 PRO 35 8.568 1.302 -12.700 265 HB3 PRO 35 HB3 PRO 35 9.447 1.035 -11.160 266 HG2 PRO 35 HG2 PRO 35 10.079 -0.072 -13.894 267 HG3 PRO 35 HG3 PRO 35 11.304 0.588 -12.762 268 HD2 PRO 35 HD2 PRO 35 11.005 -2.051 -12.887 269 HD3 PRO 35 HD3 PRO 35 10.984 -1.301 -11.262 270 H GLY 36 HN GLY 36 5.977 0.645 -11.526 271 HA2 GLY 36 HA1 GLY 36 4.623 1.035 -13.552 272 HA3 GLY 36 HA2 GLY 36 4.878 -0.653 -13.950 273 H LYS 37 HN LYS 37 2.543 -0.986 -13.935 274 HA LYS 37 HA LYS 37 1.184 -0.590 -11.418 275 HB2 LYS 37 HB2 LYS 37 -0.784 -0.953 -12.589 276 HB3 LYS 37 HB3 LYS 37 0.238 -0.187 -13.788 277 HG2 LYS 37 HG2 LYS 37 -0.046 -3.215 -13.509 278 HG3 LYS 37 HG3 LYS 37 -1.016 -2.253 -14.605 279 HD2 LYS 37 HD2 LYS 37 1.342 -1.349 -15.448 280 HD3 LYS 37 HD3 LYS 37 1.958 -2.812 -14.705 281 HE2 LYS 37 HE2 LYS 37 1.102 -4.150 -16.352 282 HE3 LYS 37 HE3 LYS 37 -0.443 -3.324 -16.347 283 HZ1 LYS 37 HZ1 LYS 37 0.854 -3.028 -18.440 284 HZ2 LYS 37 HZ2 LYS 37 0.473 -1.606 -17.745 285 H ILE 38 HN ILE 38 -0.250 -2.542 -10.659 286 HA ILE 38 HA ILE 38 1.478 -4.919 -10.697 287 HB ILE 38 HB ILE 38 -0.182 -3.772 -8.451 288 HG12 ILE 38 HG12 ILE 38 2.803 -4.252 -8.527 289 HG13 ILE 38 HG13 ILE 38 2.083 -2.733 -9.021 290 HG21 ILE 38 HG21 ILE 38 -0.472 -6.027 -8.094 291 HG22 ILE 38 HG22 ILE 38 1.095 -6.460 -8.817 292 HG23 ILE 38 HG23 ILE 38 1.035 -5.722 -7.199 293 HD11 ILE 38 HD11 ILE 38 0.802 -3.028 -6.649 294 HD12 ILE 38 HD12 ILE 38 2.284 -3.944 -6.288 295 HD13 ILE 38 HD13 ILE 38 2.391 -2.239 -6.787 296 H GLU 39 HN GLU 39 0.531 -6.220 -12.215 297 HA GLU 39 HA GLU 39 -2.303 -6.263 -12.448 298 HB2 GLU 39 HB2 GLU 39 0.007 -7.634 -13.826 299 HB3 GLU 39 HB3 GLU 39 -1.605 -8.289 -14.036 300 HG2 GLU 39 HG2 GLU 39 -1.853 -5.457 -14.351 301 HG3 GLU 39 HG3 GLU 39 -0.424 -5.921 -15.252 302 HE2 GLU 39 HE2 GLU 39 -2.493 -6.448 -17.776 303 H GLY 40 HN GLY 40 -1.949 -6.854 -9.849 304 HA2 GLY 40 HA1 GLY 40 -3.167 -9.343 -9.506 305 HA3 GLY 40 HA2 GLY 40 -1.452 -9.555 -9.211 306 H PHE 41 HN PHE 41 -3.282 -6.517 -8.615 307 HA PHE 41 HA PHE 41 -2.522 -6.753 -5.810 308 HB2 PHE 41 HB2 PHE 41 -1.938 -4.722 -7.233 309 HB3 PHE 41 HB3 PHE 41 -3.644 -4.469 -7.542 310 HD1 PHE 41 HD2 PHE 41 -1.263 -4.762 -4.684 311 HD2 PHE 41 HD1 PHE 41 -4.813 -2.996 -6.196 312 HE1 PHE 41 HE2 PHE 41 -1.421 -3.325 -2.632 313 HE2 PHE 41 HE1 PHE 41 -4.971 -1.559 -4.144 314 HZ PHE 41 HZ PHE 41 -3.274 -1.741 -2.386 315 H GLY 42 HN GLY 42 -4.183 -5.667 -4.236 316 HA2 GLY 42 HA1 GLY 42 -6.701 -5.201 -4.295 317 HA3 GLY 42 HA2 GLY 42 -6.809 -6.867 -4.826 318 H LYS 43 HN LYS 43 -8.124 -6.221 -2.507 319 HA LYS 43 HA LYS 43 -7.046 -6.114 -0.117 320 HB2 LYS 43 HB2 LYS 43 -8.784 -8.091 0.419 321 HB3 LYS 43 HB3 LYS 43 -9.272 -6.443 0.080 322 HG2 LYS 43 HG2 LYS 43 -10.154 -6.977 -1.978 323 HG3 LYS 43 HG3 LYS 43 -8.876 -8.118 -2.349 324 HD2 LYS 43 HD2 LYS 43 -10.977 -9.346 -2.099 325 HD3 LYS 43 HD3 LYS 43 -9.913 -9.776 -0.774 326 HE2 LYS 43 HE2 LYS 43 -11.243 -7.593 0.295 327 HE3 LYS 43 HE3 LYS 43 -12.490 -8.285 -0.722 328 HZ1 LYS 43 HZ1 LYS 43 -12.769 -9.867 0.826 329 HZ2 LYS 43 HZ2 LYS 43 -11.239 -10.392 0.639 330 H GLU 44 HN GLU 44 -6.862 -9.000 -2.262 331 HA GLU 44 HA GLU 44 -5.924 -10.888 -0.708 332 HB2 GLU 44 HB2 GLU 44 -5.144 -9.998 -3.468 333 HB3 GLU 44 HB3 GLU 44 -4.156 -11.240 -2.725 334 HG2 GLU 44 HG2 GLU 44 -5.985 -12.758 -2.526 335 HG3 GLU 44 HG3 GLU 44 -7.181 -11.489 -2.698 336 HE2 GLU 44 HE2 GLU 44 -5.652 -13.854 -4.354 337 H MET 45 HN MET 45 -3.455 -8.816 -2.385 338 HA MET 45 HA MET 45 -1.545 -9.453 -0.413 339 HB2 MET 45 HB2 MET 45 -1.485 -8.571 -3.029 340 HB3 MET 45 HB3 MET 45 -1.153 -7.064 -2.200 341 HG2 MET 45 HG2 MET 45 0.634 -8.446 -0.850 342 HG3 MET 45 HG3 MET 45 0.456 -9.643 -2.118 343 HE1 MET 45 HE1 MET 45 0.961 -7.407 -5.273 344 HE2 MET 45 HE2 MET 45 1.549 -9.036 -4.863 345 HE3 MET 45 HE3 MET 45 -0.127 -8.574 -4.484 346 H ALA 46 HN ALA 46 -3.439 -6.480 -1.252 347 HA ALA 46 HA ALA 46 -2.342 -4.683 0.447 348 HB1 ALA 46 HB1 ALA 46 -4.760 -3.791 0.595 349 HB2 ALA 46 HB2 ALA 46 -4.059 -3.985 -1.030 350 HB3 ALA 46 HB3 ALA 46 -5.206 -5.194 -0.405 351 H HIS 47 HN HIS 47 -4.150 -7.602 1.240 352 HA HIS 47 HA HIS 47 -4.357 -6.713 4.010 353 HB2 HIS 47 HB2 HIS 47 -5.625 -9.048 2.554 354 HB3 HIS 47 HB3 HIS 47 -5.811 -8.729 4.267 355 HD1 HIS 47 HD1 HIS 47 -8.252 -8.748 2.328 356 HD2 HIS 47 HD2 HIS 47 -6.155 -5.304 3.480 357 HE1 HIS 47 HE1 HIS 47 -9.857 -6.792 2.001 358 H GLY 48 HN GLY 48 -3.362 -9.624 2.069 359 HA2 GLY 48 HA1 GLY 48 -2.059 -10.963 4.136 360 HA3 GLY 48 HA2 GLY 48 -1.757 -11.156 2.421 361 H LYS 49 HN LYS 49 0.511 -11.295 2.505 362 HA LYS 49 HA LYS 49 1.995 -9.321 3.964 363 HB2 LYS 49 HB2 LYS 49 2.543 -11.846 2.523 364 HB3 LYS 49 HB3 LYS 49 3.828 -10.657 2.440 365 HG2 LYS 49 HG2 LYS 49 3.615 -10.405 4.990 366 HG3 LYS 49 HG3 LYS 49 2.538 -11.787 4.964 367 HD2 LYS 49 HD2 LYS 49 4.455 -13.011 5.221 368 HD3 LYS 49 HD3 LYS 49 4.635 -12.783 3.493 369 HE2 LYS 49 HE2 LYS 49 6.671 -11.889 4.058 370 HE3 LYS 49 HE3 LYS 49 5.744 -10.439 4.389 371 HZ1 LYS 49 HZ1 LYS 49 6.103 -12.474 6.501 372 HZ2 LYS 49 HZ2 LYS 49 7.256 -11.353 6.240 373 H GLY 50 HN GLY 50 0.420 -7.798 2.447 374 HA2 GLY 50 HA1 GLY 50 2.037 -7.080 0.078 375 HA3 GLY 50 HA2 GLY 50 0.317 -6.795 0.259 376 H CYS 51 HN CYS 51 -0.202 -5.534 2.500 377 HA CYS 51 HA CYS 51 1.728 -3.330 2.612 378 HB2 CYS 51 HB2 CYS 51 -1.254 -3.061 3.000 379 HB3 CYS 51 HB3 CYS 51 -0.066 -1.776 2.905 380 H LYS 52 HN LYS 52 -0.988 -5.037 4.333 381 HA LYS 52 HA LYS 52 -0.350 -4.047 6.865 382 HB2 LYS 52 HB2 LYS 52 -1.697 -6.698 6.338 383 HB3 LYS 52 HB3 LYS 52 -1.938 -5.599 7.681 384 HG2 LYS 52 HG2 LYS 52 -2.523 -3.950 5.537 385 HG3 LYS 52 HG3 LYS 52 -3.067 -5.499 4.925 386 HD2 LYS 52 HD2 LYS 52 -3.904 -4.269 7.595 387 HD3 LYS 52 HD3 LYS 52 -4.881 -4.283 6.141 388 HE2 LYS 52 HE2 LYS 52 -5.145 -6.669 6.199 389 HE3 LYS 52 HE3 LYS 52 -3.821 -6.875 7.328 390 HZ1 LYS 52 HZ1 LYS 52 -6.044 -5.214 8.238 391 HZ2 LYS 52 HZ2 LYS 52 -6.343 -6.811 8.122 392 H GLY 53 HN GLY 53 1.071 -6.564 4.857 393 HA2 GLY 53 HA1 GLY 53 2.297 -8.078 6.910 394 HA3 GLY 53 HA2 GLY 53 2.741 -8.031 5.215 395 H CYS 54 HN CYS 54 3.345 -5.245 4.910 396 HA CYS 54 HA CYS 54 5.880 -5.228 6.298 397 HB2 CYS 54 HB2 CYS 54 5.353 -4.701 3.736 398 HB3 CYS 54 HB3 CYS 54 5.104 -3.083 4.359 399 H HIS 55 HN HIS 55 3.069 -4.665 7.510 400 HA HIS 55 HA HIS 55 3.734 -2.004 8.545 401 HB2 HIS 55 HB2 HIS 55 1.071 -3.233 7.850 402 HB3 HIS 55 HB3 HIS 55 1.184 -1.938 9.025 403 HD1 HIS 55 HD1 HIS 55 -0.417 -1.078 6.763 404 HD2 HIS 55 HD2 HIS 55 3.771 -0.954 6.551 405 HE1 HIS 55 HE1 HIS 55 0.157 0.587 4.917 406 H GLU 56 HN GLU 56 1.557 -4.774 9.448 407 HA GLU 56 HA GLU 56 1.715 -4.418 12.117 408 HB2 GLU 56 HB2 GLU 56 1.002 -6.614 10.289 409 HB3 GLU 56 HB3 GLU 56 1.599 -7.206 11.827 410 HG2 GLU 56 HG2 GLU 56 -0.021 -5.559 12.963 411 HG3 GLU 56 HG3 GLU 56 -0.715 -5.268 11.380 412 HE2 GLU 56 HE2 GLU 56 -2.882 -7.641 11.908 413 H GLU 57 HN GLU 57 3.956 -6.287 9.989 414 HA GLU 57 HA GLU 57 5.460 -7.564 11.774 415 HB2 GLU 57 HB2 GLU 57 5.889 -6.405 9.102 416 HB3 GLU 57 HB3 GLU 57 7.378 -6.505 10.020 417 HG2 GLU 57 HG2 GLU 57 5.826 -8.952 10.380 418 HG3 GLU 57 HG3 GLU 57 6.031 -8.624 8.671 419 HE2 GLU 57 HE2 GLU 57 7.852 -8.916 11.618 420 H MET 58 HN MET 58 5.650 -4.055 10.954 421 HA MET 58 HA MET 58 7.641 -3.761 13.044 422 HB2 MET 58 HB2 MET 58 6.574 -1.792 10.943 423 HB3 MET 58 HB3 MET 58 7.887 -1.446 12.051 424 HG2 MET 58 HG2 MET 58 8.464 -3.955 10.722 425 HG3 MET 58 HG3 MET 58 8.025 -2.777 9.502 426 HE1 MET 58 HE1 MET 58 10.337 -0.851 8.705 427 HE2 MET 58 HE2 MET 58 11.431 -2.252 8.801 428 HE3 MET 58 HE3 MET 58 9.724 -2.484 8.353 429 H LYS 59 HN LYS 59 4.266 -3.559 12.547 430 HA LYS 59 HA LYS 59 2.599 -2.809 13.783 431 HB2 LYS 59 HB2 LYS 59 4.707 -2.306 15.906 432 HB3 LYS 59 HB3 LYS 59 2.975 -2.313 16.170 433 HG2 LYS 59 HG2 LYS 59 4.481 -4.696 15.000 434 HG3 LYS 59 HG3 LYS 59 4.194 -4.503 16.718 435 HD2 LYS 59 HD2 LYS 59 1.652 -4.091 15.742 436 HD3 LYS 59 HD3 LYS 59 2.274 -5.205 14.541 437 HE2 LYS 59 HE2 LYS 59 1.842 -6.899 15.989 438 HE3 LYS 59 HE3 LYS 59 3.139 -6.295 17.001 439 HZ1 LYS 59 HZ1 LYS 59 1.122 -6.373 18.289 440 HZ2 LYS 59 HZ2 LYS 59 1.462 -4.798 18.055 441 H LYS 60 HN LYS 60 3.540 -1.128 11.810 442 HA LYS 60 HA LYS 60 2.840 1.433 12.966 443 HB2 LYS 60 HB2 LYS 60 5.552 0.763 11.969 444 HB3 LYS 60 HB3 LYS 60 4.878 2.268 11.376 445 HG2 LYS 60 HG2 LYS 60 4.713 1.613 14.333 446 HG3 LYS 60 HG3 LYS 60 6.210 2.232 13.666 447 HD2 LYS 60 HD2 LYS 60 5.158 4.279 12.928 448 HD3 LYS 60 HD3 LYS 60 3.549 3.630 13.176 449 HE2 LYS 60 HE2 LYS 60 5.288 3.611 15.602 450 HE3 LYS 60 HE3 LYS 60 4.887 5.207 15.001 451 HZ1 LYS 60 HZ1 LYS 60 2.650 4.869 15.408 452 HZ2 LYS 60 HZ2 LYS 60 2.712 3.250 15.243 453 H GLY 61 HN GLY 61 1.346 2.393 11.687 454 HA2 GLY 61 HA1 GLY 61 0.868 3.152 9.416 455 HA3 GLY 61 HA2 GLY 61 1.259 1.539 8.854 456 HA PRO 62 HA PRO 62 -3.355 1.995 9.717 457 HB2 PRO 62 HB2 PRO 62 -4.210 1.530 7.167 458 HB3 PRO 62 HB3 PRO 62 -3.651 3.148 7.703 459 HG2 PRO 62 HG2 PRO 62 -1.981 1.123 6.229 460 HG3 PRO 62 HG3 PRO 62 -2.246 2.856 5.850 461 HD2 PRO 62 HD2 PRO 62 -0.075 2.036 7.274 462 HD3 PRO 62 HD3 PRO 62 -0.943 3.533 7.733 463 H THR 63 HN THR 63 -3.338 0.025 10.953 464 HA THR 63 HA THR 63 -3.132 -2.425 9.337 465 HB THR 63 HB THR 63 -2.852 -3.364 11.800 466 HG1 THR 63 HG1 THR 63 -1.927 -0.619 12.085 467 HG21 THR 63 HG21 THR 63 -0.901 -3.293 10.293 468 HG22 THR 63 HG22 THR 63 -0.770 -1.530 10.502 469 HG23 THR 63 HG23 THR 63 -0.427 -2.616 11.870 470 H LYS 64 HN LYS 64 -5.339 -0.304 10.900 471 HA LYS 64 HA LYS 64 -7.260 -2.460 11.306 472 HB2 LYS 64 HB2 LYS 64 -7.592 0.471 11.982 473 HB3 LYS 64 HB3 LYS 64 -8.536 -0.883 12.569 474 HG2 LYS 64 HG2 LYS 64 -7.119 -0.820 14.363 475 HG3 LYS 64 HG3 LYS 64 -6.016 -1.690 13.316 476 HD2 LYS 64 HD2 LYS 64 -4.777 0.263 12.773 477 HD3 LYS 64 HD3 LYS 64 -6.084 1.340 13.224 478 HE2 LYS 64 HE2 LYS 64 -4.689 -0.433 15.273 479 HE3 LYS 64 HE3 LYS 64 -4.080 1.159 14.864 480 HZ1 LYS 64 HZ1 LYS 64 -5.534 1.839 16.442 481 HZ2 LYS 64 HZ2 LYS 64 -6.703 1.646 15.325 482 H CYS 65 HN CYS 65 -9.564 -1.994 10.521 483 HA CYS 65 HA CYS 65 -9.368 -1.440 7.726 484 HB2 CYS 65 HB2 CYS 65 -12.031 -1.804 8.969 485 HB3 CYS 65 HB3 CYS 65 -11.356 -2.501 7.509 486 H GLY 66 HN GLY 66 -9.671 0.424 10.542 487 HA2 GLY 66 HA1 GLY 66 -11.443 2.426 9.328 488 HA3 GLY 66 HA2 GLY 66 -10.921 2.350 10.999 489 H GLU 67 HN GLU 67 -8.235 1.601 9.075 490 HA GLU 67 HA GLU 67 -7.373 4.379 9.244 491 HB2 GLU 67 HB2 GLU 67 -6.207 2.230 10.423 492 HB3 GLU 67 HB3 GLU 67 -5.378 2.170 8.880 493 HG2 GLU 67 HG2 GLU 67 -4.026 3.869 9.526 494 HG3 GLU 67 HG3 GLU 67 -5.415 4.924 9.698 495 HE2 GLU 67 HE2 GLU 67 -3.666 5.442 11.660 496 H CYS 68 HN CYS 68 -7.404 1.413 7.194 497 HA CYS 68 HA CYS 68 -6.254 2.883 4.996 498 HB2 CYS 68 HB2 CYS 68 -6.792 0.034 5.619 499 HB3 CYS 68 HB3 CYS 68 -6.971 0.476 3.932 500 H HIS 69 HN HIS 69 -9.306 1.046 5.764 501 HA HIS 69 HA HIS 69 -10.603 2.282 3.508 502 HB2 HIS 69 HB2 HIS 69 -11.591 0.302 5.580 503 HB3 HIS 69 HB3 HIS 69 -12.529 0.864 4.210 504 HD1 HIS 69 HD1 HIS 69 -11.276 0.371 1.755 505 HD2 HIS 69 HD2 HIS 69 -10.146 -1.958 5.055 506 HE1 HIS 69 HE1 HIS 69 -10.149 -1.712 0.807 507 H LYS 70 HN LYS 70 -10.405 4.525 4.249 508 HA LYS 70 HA LYS 70 -12.295 5.113 6.421 509 HB2 LYS 70 HB2 LYS 70 -10.007 5.710 7.015 510 HB3 LYS 70 HB3 LYS 70 -9.826 6.638 5.540 511 HG2 LYS 70 HG2 LYS 70 -12.163 7.706 6.635 512 HG3 LYS 70 HG3 LYS 70 -11.205 7.360 8.061 513 HD2 LYS 70 HD2 LYS 70 -9.608 8.597 5.903 514 HD3 LYS 70 HD3 LYS 70 -10.945 9.610 6.408 515 HE2 LYS 70 HE2 LYS 70 -9.386 8.336 8.624 516 HE3 LYS 70 HE3 LYS 70 -8.523 9.541 7.690 517 HZ1 LYS 70 HZ1 LYS 70 -10.136 10.178 9.705 518 HZ2 LYS 70 HZ2 LYS 70 -9.880 11.193 8.458 519 H LYS 71 HN LYS 71 -11.140 7.809 4.614 520 HA LYS 71 HA LYS 71 -13.537 8.742 3.846 521 HB2 LYS 71 HB2 LYS 71 -12.352 10.354 2.817 522 HB3 LYS 71 HB3 LYS 71 -10.974 9.557 3.551 523 HG2 LYS 71 HG2 LYS 71 -10.771 8.129 1.446 524 HG3 LYS 71 HG3 LYS 71 -12.032 9.107 0.722 525 HD2 LYS 71 HD2 LYS 71 -10.199 10.304 -0.031 526 HD3 LYS 71 HD3 LYS 71 -10.434 11.127 1.498 527 HE2 LYS 71 HE2 LYS 71 -8.851 9.059 2.339 528 HE3 LYS 71 HE3 LYS 71 -8.285 9.202 0.687 529 HZ1 LYS 71 HZ1 LYS 71 -7.831 10.983 2.874 530 HZ2 LYS 71 HZ2 LYS 71 -7.058 10.915 1.442 Start of MODEL 20 1 H1 ALA 1 HN ALA 1 -0.453 13.316 -9.227 2 HA ALA 1 HA ALA 1 0.603 14.939 -7.017 3 HB1 ALA 1 HB1 ALA 1 -1.977 14.430 -7.478 4 HB2 ALA 1 HB2 ALA 1 -1.574 12.906 -6.651 5 HB3 ALA 1 HB3 ALA 1 -1.317 14.462 -5.826 6 H ASP 2 HN ASP 2 2.492 14.092 -6.283 7 HA ASP 2 HA ASP 2 3.558 11.736 -6.836 8 HB2 ASP 2 HB2 ASP 2 3.799 12.580 -3.961 9 HB3 ASP 2 HB3 ASP 2 5.062 12.144 -5.095 10 HD2 ASP 2 HD2 ASP 2 2.900 14.910 -4.416 11 H ASP 3 HN ASP 3 0.889 12.430 -4.597 12 HA ASP 3 HA ASP 3 1.054 10.050 -3.135 13 HB2 ASP 3 HB2 ASP 3 -0.252 12.280 -2.664 14 HB3 ASP 3 HB3 ASP 3 -1.510 11.594 -3.673 15 HD2 ASP 3 HD2 ASP 3 -3.095 10.219 -1.783 16 H ILE 4 HN ILE 4 -1.389 8.771 -3.204 17 HA ILE 4 HA ILE 4 -2.271 8.343 -5.896 18 HB ILE 4 HB ILE 4 -0.587 6.287 -4.481 19 HG12 ILE 4 HG12 ILE 4 -0.411 7.799 -7.076 20 HG13 ILE 4 HG13 ILE 4 0.796 7.608 -5.820 21 HG21 ILE 4 HG21 ILE 4 -2.693 5.232 -5.198 22 HG22 ILE 4 HG22 ILE 4 -2.414 5.822 -6.854 23 HG23 ILE 4 HG23 ILE 4 -1.291 4.648 -6.127 24 HD11 ILE 4 HD11 ILE 4 0.719 5.060 -6.401 25 HD12 ILE 4 HD12 ILE 4 -0.100 5.582 -7.892 26 HD13 ILE 4 HD13 ILE 4 1.546 6.155 -7.534 27 H VAL 5 HN VAL 5 -4.384 7.655 -5.898 28 HA VAL 5 HA VAL 5 -5.430 6.826 -3.278 29 HB VAL 5 HB VAL 5 -6.940 8.340 -5.405 30 HG11 VAL 5 HG11 VAL 5 -7.451 7.627 -2.513 31 HG12 VAL 5 HG12 VAL 5 -8.311 8.961 -3.319 32 HG13 VAL 5 HG13 VAL 5 -8.461 7.301 -3.942 33 HG21 VAL 5 HG21 VAL 5 -4.987 9.676 -4.657 34 HG22 VAL 5 HG22 VAL 5 -6.541 10.393 -4.167 35 HG23 VAL 5 HG23 VAL 5 -5.549 9.518 -2.976 36 H PHE 6 HN PHE 6 -6.764 5.019 -3.221 37 HA PHE 6 HA PHE 6 -7.150 3.706 -5.819 38 HB2 PHE 6 HB2 PHE 6 -6.557 2.651 -2.992 39 HB3 PHE 6 HB3 PHE 6 -7.013 1.592 -4.312 40 HD1 PHE 6 HD1 PHE 6 -5.483 1.262 -6.222 41 HD2 PHE 6 HD2 PHE 6 -4.344 3.568 -2.847 42 HE1 PHE 6 HE1 PHE 6 -3.077 1.091 -6.917 43 HE2 PHE 6 HE2 PHE 6 -1.938 3.397 -3.541 44 HZ PHE 6 HZ PHE 6 -1.333 2.160 -5.568 45 H LYS 7 HN LYS 7 -9.283 3.870 -6.354 46 HA LYS 7 HA LYS 7 -11.337 4.515 -4.706 47 HB2 LYS 7 HB2 LYS 7 -11.158 3.016 -7.300 48 HB3 LYS 7 HB3 LYS 7 -12.706 3.129 -6.487 49 HG2 LYS 7 HG2 LYS 7 -11.505 5.745 -6.404 50 HG3 LYS 7 HG3 LYS 7 -11.340 5.149 -8.044 51 HD2 LYS 7 HD2 LYS 7 -13.596 5.244 -8.447 52 HD3 LYS 7 HD3 LYS 7 -14.008 4.610 -6.866 53 HE2 LYS 7 HE2 LYS 7 -13.289 6.938 -5.935 54 HE3 LYS 7 HE3 LYS 7 -13.329 7.486 -7.600 55 HZ1 LYS 7 HZ1 LYS 7 -15.483 7.886 -6.785 56 HZ2 LYS 7 HZ2 LYS 7 -15.684 6.502 -7.619 57 H ALA 8 HN ALA 8 -12.511 3.555 -3.114 58 HA ALA 8 HA ALA 8 -12.331 0.641 -2.902 59 HB1 ALA 8 HB1 ALA 8 -11.047 0.807 -1.066 60 HB2 ALA 8 HB2 ALA 8 -11.080 2.584 -1.168 61 HB3 ALA 8 HB3 ALA 8 -12.352 1.720 -0.270 62 H LYS 9 HN LYS 9 -14.198 -0.346 -1.987 63 HA LYS 9 HA LYS 9 -16.539 1.345 -2.176 64 HB2 LYS 9 HB2 LYS 9 -16.492 -1.622 -1.620 65 HB3 LYS 9 HB3 LYS 9 -17.779 -0.663 -2.322 66 HG2 LYS 9 HG2 LYS 9 -15.856 -0.107 -4.143 67 HG3 LYS 9 HG3 LYS 9 -15.233 -1.649 -3.591 68 HD2 LYS 9 HD2 LYS 9 -16.656 -2.393 -5.272 69 HD3 LYS 9 HD3 LYS 9 -17.764 -2.442 -3.916 70 HE2 LYS 9 HE2 LYS 9 -18.513 -0.085 -4.525 71 HE3 LYS 9 HE3 LYS 9 -17.505 -0.181 -5.954 72 HZ1 LYS 9 HZ1 LYS 9 -19.920 -1.759 -5.343 73 HZ2 LYS 9 HZ2 LYS 9 -19.579 -0.918 -6.695 74 H ASN 10 HN ASN 10 -14.366 1.262 0.114 75 HA ASN 10 HA ASN 10 -16.381 1.411 2.175 76 HB2 ASN 10 HB2 ASN 10 -14.245 -0.630 2.019 77 HB3 ASN 10 HB3 ASN 10 -14.157 0.290 3.508 78 HD21 ASN 10 HD21 ASN 10 -14.696 -1.706 4.543 79 HD22 ASN 10 HD22 ASN 10 -16.343 -2.224 4.682 80 H GLY 11 HN GLY 11 -14.525 3.190 0.462 81 HA2 GLY 11 HA1 GLY 11 -13.894 5.348 1.344 82 HA3 GLY 11 HA2 GLY 11 -13.144 4.537 2.705 83 H ASP 12 HN ASP 12 -12.240 6.301 0.210 84 HA ASP 12 HA ASP 12 -10.623 4.820 -1.391 85 HB2 ASP 12 HB2 ASP 12 -10.851 7.630 -0.543 86 HB3 ASP 12 HB3 ASP 12 -9.190 7.205 -0.905 87 HD2 ASP 12 HD2 ASP 12 -11.789 6.171 -3.596 88 H VAL 13 HN VAL 13 -8.438 4.049 -1.208 89 HA VAL 13 HA VAL 13 -7.375 4.114 1.521 90 HB VAL 13 HB VAL 13 -7.276 2.175 -0.753 91 HG11 VAL 13 HG11 VAL 13 -5.046 1.946 -0.498 92 HG12 VAL 13 HG12 VAL 13 -5.034 2.797 1.066 93 HG13 VAL 13 HG13 VAL 13 -5.481 1.076 0.993 94 HG21 VAL 13 HG21 VAL 13 -7.306 1.095 1.942 95 HG22 VAL 13 HG22 VAL 13 -8.589 2.309 1.723 96 HG23 VAL 13 HG23 VAL 13 -8.493 0.909 0.628 97 H LYS 14 HN LYS 14 -6.462 6.252 1.338 98 HA LYS 14 HA LYS 14 -4.794 7.008 -0.768 99 HB2 LYS 14 HB2 LYS 14 -5.838 8.153 1.575 100 HB3 LYS 14 HB3 LYS 14 -4.098 8.249 1.766 101 HG2 LYS 14 HG2 LYS 14 -4.419 8.975 -0.902 102 HG3 LYS 14 HG3 LYS 14 -5.864 9.646 -0.170 103 HD2 LYS 14 HD2 LYS 14 -3.060 10.099 0.950 104 HD3 LYS 14 HD3 LYS 14 -3.827 11.193 -0.184 105 HE2 LYS 14 HE2 LYS 14 -4.414 12.180 1.860 106 HE3 LYS 14 HE3 LYS 14 -5.827 11.193 1.548 107 HZ1 LYS 14 HZ1 LYS 14 -3.623 10.637 3.430 108 HZ2 LYS 14 HZ2 LYS 14 -5.224 10.645 3.728 109 H PHE 15 HN PHE 15 -2.546 6.934 -1.070 110 HA PHE 15 HA PHE 15 -0.980 5.557 0.942 111 HB2 PHE 15 HB2 PHE 15 -1.914 3.773 -0.554 112 HB3 PHE 15 HB3 PHE 15 -1.418 4.674 -1.973 113 HD1 PHE 15 HD1 PHE 15 0.194 3.403 1.156 114 HD2 PHE 15 HD2 PHE 15 0.432 3.856 -3.056 115 HE1 PHE 15 HE1 PHE 15 2.389 2.186 1.150 116 HE2 PHE 15 HE2 PHE 15 2.627 2.638 -3.063 117 HZ PHE 15 HZ PHE 15 3.579 1.818 -0.960 118 HA PRO 16 HA PRO 16 1.661 8.770 -0.649 119 HB2 PRO 16 HB2 PRO 16 3.511 8.604 1.368 120 HB3 PRO 16 HB3 PRO 16 1.884 9.321 1.605 121 HG2 PRO 16 HG2 PRO 16 2.730 6.442 2.604 122 HG3 PRO 16 HG3 PRO 16 1.899 7.969 3.045 123 HD2 PRO 16 HD2 PRO 16 0.791 5.591 1.770 124 HD3 PRO 16 HD3 PRO 16 -0.049 7.131 2.125 125 H HIS 17 HN HIS 17 2.607 7.943 -2.570 126 HA HIS 17 HA HIS 17 4.197 5.589 -2.451 127 HB2 HIS 17 HB2 HIS 17 2.791 6.372 -4.401 128 HB3 HIS 17 HB3 HIS 17 3.994 7.611 -4.695 129 HD1 HIS 17 HD1 HIS 17 6.347 6.834 -5.589 130 HD2 HIS 17 HD2 HIS 17 3.520 3.763 -5.173 131 HE1 HIS 17 HE1 HIS 17 7.280 4.827 -6.858 132 H LYS 18 HN LYS 18 4.879 9.115 -2.997 133 HA LYS 18 HA LYS 18 7.595 8.950 -3.242 134 HB2 LYS 18 HB2 LYS 18 6.289 10.977 -3.642 135 HB3 LYS 18 HB3 LYS 18 5.927 11.119 -1.934 136 HG2 LYS 18 HG2 LYS 18 8.054 11.862 -1.393 137 HG3 LYS 18 HG3 LYS 18 8.831 10.876 -2.616 138 HD2 LYS 18 HD2 LYS 18 7.067 13.013 -3.709 139 HD3 LYS 18 HD3 LYS 18 8.444 13.611 -2.805 140 HE2 LYS 18 HE2 LYS 18 9.583 11.585 -4.357 141 HE3 LYS 18 HE3 LYS 18 8.370 12.246 -5.435 142 HZ1 LYS 18 HZ1 LYS 18 9.894 13.847 -5.818 143 HZ2 LYS 18 HZ2 LYS 18 9.528 14.467 -4.357 144 H ALA 19 HN ALA 19 5.571 8.876 -0.276 145 HA ALA 19 HA ALA 19 7.684 9.101 1.545 146 HB1 ALA 19 HB1 ALA 19 5.190 9.369 1.954 147 HB2 ALA 19 HB2 ALA 19 5.071 7.593 1.920 148 HB3 ALA 19 HB3 ALA 19 6.057 8.395 3.166 149 H HIS 20 HN HIS 20 5.852 6.141 0.475 150 HA HIS 20 HA HIS 20 7.566 4.353 1.702 151 HB2 HIS 20 HB2 HIS 20 5.607 4.166 -0.573 152 HB3 HIS 20 HB3 HIS 20 6.606 2.786 -0.162 153 HD1 HIS 20 HD1 HIS 20 3.935 5.041 1.343 154 HD2 HIS 20 HD2 HIS 20 5.792 1.352 2.075 155 HE1 HIS 20 HE1 HIS 20 2.614 3.937 3.226 156 H GLN 21 HN GLN 21 8.082 6.420 -1.010 157 HA GLN 21 HA GLN 21 9.914 4.701 -2.331 158 HB2 GLN 21 HB2 GLN 21 9.248 7.658 -2.609 159 HB3 GLN 21 HB3 GLN 21 10.468 6.876 -3.595 160 HG2 GLN 21 HG2 GLN 21 7.871 5.420 -3.470 161 HG3 GLN 21 HG3 GLN 21 7.778 6.999 -4.224 162 HE21 GLN 21 HE21 GLN 21 9.832 4.093 -4.153 163 HE22 GLN 21 HE22 GLN 21 10.187 4.031 -5.847 164 H LYS 22 HN LYS 22 10.000 6.646 0.500 165 HA LYS 22 HA LYS 22 12.929 6.796 0.330 166 HB2 LYS 22 HB2 LYS 22 11.177 8.885 0.679 167 HB3 LYS 22 HB3 LYS 22 11.581 8.483 2.336 168 HG2 LYS 22 HG2 LYS 22 14.071 8.352 1.130 169 HG3 LYS 22 HG3 LYS 22 13.305 9.615 0.188 170 HD2 LYS 22 HD2 LYS 22 13.142 9.670 3.219 171 HD3 LYS 22 HD3 LYS 22 14.583 10.250 2.408 172 HE2 LYS 22 HE2 LYS 22 13.564 12.201 1.849 173 HE3 LYS 22 HE3 LYS 22 12.239 11.349 1.081 174 HZ1 LYS 22 HZ1 LYS 22 11.537 12.718 3.012 175 HZ2 LYS 22 HZ2 LYS 22 11.147 11.150 3.217 176 H ALA 23 HN ALA 23 10.047 5.852 2.220 177 HA ALA 23 HA ALA 23 11.386 5.143 4.567 178 HB1 ALA 23 HB1 ALA 23 8.745 4.675 3.283 179 HB2 ALA 23 HB2 ALA 23 9.234 3.471 4.499 180 HB3 ALA 23 HB3 ALA 23 9.137 5.193 4.940 181 H VAL 24 HN VAL 24 10.395 3.168 1.683 182 HA VAL 24 HA VAL 24 12.282 1.124 2.620 183 HB VAL 24 HB VAL 24 9.918 0.922 0.743 184 HG11 VAL 24 HG11 VAL 24 10.310 -1.403 0.600 185 HG12 VAL 24 HG12 VAL 24 11.904 -0.649 0.355 186 HG13 VAL 24 HG13 VAL 24 11.494 -1.373 1.929 187 HG21 VAL 24 HG21 VAL 24 10.030 -0.490 3.377 188 HG22 VAL 24 HG22 VAL 24 9.672 1.253 3.374 189 HG23 VAL 24 HG23 VAL 24 8.632 0.130 2.467 190 HA PRO 25 HA PRO 25 14.789 2.188 -0.837 191 HB2 PRO 25 HB2 PRO 25 16.628 0.186 -0.586 192 HB3 PRO 25 HB3 PRO 25 16.475 1.495 0.631 193 HG2 PRO 25 HG2 PRO 25 15.420 -1.432 0.990 194 HG3 PRO 25 HG3 PRO 25 16.258 -0.106 1.859 195 HD2 PRO 25 HD2 PRO 25 13.396 -0.673 1.702 196 HD3 PRO 25 HD3 PRO 25 14.199 0.687 2.544 197 H ASP 26 HN ASP 26 15.347 -1.329 -0.953 198 HA ASP 26 HA ASP 26 15.030 -1.618 -3.556 199 HB2 ASP 26 HB2 ASP 26 15.717 -3.434 -2.021 200 HB3 ASP 26 HB3 ASP 26 14.087 -3.551 -1.387 201 HD2 ASP 26 HD2 ASP 26 15.046 -5.095 -4.938 202 H CYS 27 HN CYS 27 13.320 -1.465 -5.034 203 HA CYS 27 HA CYS 27 10.688 -1.001 -3.934 204 HB2 CYS 27 HB2 CYS 27 11.691 -0.799 -6.781 205 HB3 CYS 27 HB3 CYS 27 10.095 -0.338 -6.225 206 H LYS 28 HN LYS 28 12.648 -3.475 -5.476 207 HA LYS 28 HA LYS 28 10.804 -4.969 -6.830 208 HB2 LYS 28 HB2 LYS 28 13.170 -5.880 -5.168 209 HB3 LYS 28 HB3 LYS 28 12.300 -6.900 -6.296 210 HG2 LYS 28 HG2 LYS 28 12.774 -4.796 -7.945 211 HG3 LYS 28 HG3 LYS 28 14.125 -4.575 -6.851 212 HD2 LYS 28 HD2 LYS 28 15.118 -6.628 -7.428 213 HD3 LYS 28 HD3 LYS 28 13.597 -7.352 -7.911 214 HE2 LYS 28 HE2 LYS 28 13.890 -6.703 -10.070 215 HE3 LYS 28 HE3 LYS 28 14.142 -5.036 -9.594 216 HZ1 LYS 28 HZ1 LYS 28 16.089 -6.240 -10.697 217 HZ2 LYS 28 HZ2 LYS 28 16.444 -5.411 -9.342 218 H LYS 29 HN LYS 29 10.985 -4.275 -3.413 219 HA LYS 29 HA LYS 29 9.665 -6.572 -2.473 220 HB2 LYS 29 HB2 LYS 29 10.039 -3.782 -1.367 221 HB3 LYS 29 HB3 LYS 29 9.165 -5.026 -0.496 222 HG2 LYS 29 HG2 LYS 29 12.014 -5.380 -1.540 223 HG3 LYS 29 HG3 LYS 29 11.637 -4.858 0.090 224 HD2 LYS 29 HD2 LYS 29 10.068 -7.222 -0.500 225 HD3 LYS 29 HD3 LYS 29 11.736 -7.543 -0.930 226 HE2 LYS 29 HE2 LYS 29 11.721 -8.123 1.347 227 HE3 LYS 29 HE3 LYS 29 12.305 -6.471 1.413 228 HZ1 LYS 29 HZ1 LYS 29 9.500 -6.392 1.460 229 HZ2 LYS 29 HZ2 LYS 29 9.962 -7.494 2.567 230 H CYS 30 HN CYS 30 8.603 -3.606 -4.087 231 HA CYS 30 HA CYS 30 5.839 -4.476 -3.651 232 HB2 CYS 30 HB2 CYS 30 6.916 -1.697 -4.226 233 HB3 CYS 30 HB3 CYS 30 5.214 -2.111 -4.199 234 H HIS 31 HN HIS 31 8.399 -3.448 -5.939 235 HA HIS 31 HA HIS 31 6.609 -4.206 -8.132 236 HB2 HIS 31 HB2 HIS 31 8.979 -2.315 -8.143 237 HB3 HIS 31 HB3 HIS 31 8.065 -2.789 -9.562 238 HD1 HIS 31 HD1 HIS 31 5.247 -2.322 -9.089 239 HD2 HIS 31 HD2 HIS 31 8.118 0.087 -7.205 240 HE1 HIS 31 HE1 HIS 31 4.049 -0.170 -8.422 241 H GLU 32 HN GLU 32 7.248 -6.474 -7.416 242 HA GLU 32 HA GLU 32 9.879 -7.306 -7.590 243 HB2 GLU 32 HB2 GLU 32 8.868 -9.605 -7.815 244 HB3 GLU 32 HB3 GLU 32 8.226 -8.677 -6.475 245 HG2 GLU 32 HG2 GLU 32 6.176 -9.202 -7.333 246 HG3 GLU 32 HG3 GLU 32 6.496 -7.933 -8.498 247 HE2 GLU 32 HE2 GLU 32 6.103 -11.594 -8.779 248 H LYS 33 HN LYS 33 7.274 -7.009 -10.047 249 HA LYS 33 HA LYS 33 9.099 -8.046 -12.072 250 HB2 LYS 33 HB2 LYS 33 7.231 -8.436 -13.409 251 HB3 LYS 33 HB3 LYS 33 6.668 -8.825 -11.796 252 HG2 LYS 33 HG2 LYS 33 5.021 -7.284 -11.994 253 HG3 LYS 33 HG3 LYS 33 6.221 -6.017 -12.155 254 HD2 LYS 33 HD2 LYS 33 6.317 -6.317 -14.582 255 HD3 LYS 33 HD3 LYS 33 5.316 -7.752 -14.497 256 HE2 LYS 33 HE2 LYS 33 3.930 -5.571 -13.172 257 HE3 LYS 33 HE3 LYS 33 4.462 -5.024 -14.750 258 HZ1 LYS 33 HZ1 LYS 33 3.266 -6.755 -15.798 259 HZ2 LYS 33 HZ2 LYS 33 3.078 -7.621 -14.432 260 H GLY 34 HN GLY 34 9.917 -5.631 -10.870 261 HA2 GLY 34 HA1 GLY 34 10.794 -3.680 -11.608 262 HA3 GLY 34 HA2 GLY 34 10.089 -3.961 -13.188 263 HA PRO 35 HA PRO 35 7.989 -0.642 -10.226 264 HB2 PRO 35 HB2 PRO 35 9.155 1.063 -12.445 265 HB3 PRO 35 HB3 PRO 35 8.961 1.398 -10.694 266 HG2 PRO 35 HG2 PRO 35 11.452 0.661 -11.649 267 HG3 PRO 35 HG3 PRO 35 10.605 0.312 -10.107 268 HD2 PRO 35 HD2 PRO 35 11.054 -1.454 -12.556 269 HD3 PRO 35 HD3 PRO 35 11.143 -1.887 -10.822 270 H GLY 36 HN GLY 36 6.040 0.621 -10.969 271 HA2 GLY 36 HA1 GLY 36 4.790 1.231 -13.023 272 HA3 GLY 36 HA2 GLY 36 5.066 -0.412 -13.566 273 H LYS 37 HN LYS 37 2.628 -0.447 -13.683 274 HA LYS 37 HA LYS 37 1.185 -0.357 -11.226 275 HB2 LYS 37 HB2 LYS 37 -0.644 -0.352 -12.540 276 HB3 LYS 37 HB3 LYS 37 0.503 0.010 -13.814 277 HG2 LYS 37 HG2 LYS 37 -0.381 -2.815 -13.056 278 HG3 LYS 37 HG3 LYS 37 -1.074 -1.887 -14.371 279 HD2 LYS 37 HD2 LYS 37 1.706 -1.722 -14.820 280 HD3 LYS 37 HD3 LYS 37 1.467 -3.369 -14.273 281 HE2 LYS 37 HE2 LYS 37 0.957 -3.754 -16.482 282 HE3 LYS 37 HE3 LYS 37 -0.631 -3.179 -16.012 283 HZ1 LYS 37 HZ1 LYS 37 0.075 -0.924 -16.697 284 HZ2 LYS 37 HZ2 LYS 37 1.519 -1.496 -17.185 285 H ILE 38 HN ILE 38 -0.078 -2.233 -10.367 286 HA ILE 38 HA ILE 38 1.564 -4.657 -10.587 287 HB ILE 38 HB ILE 38 -0.106 -3.573 -8.319 288 HG12 ILE 38 HG12 ILE 38 2.851 -4.185 -8.317 289 HG13 ILE 38 HG13 ILE 38 2.236 -2.631 -8.845 290 HG21 ILE 38 HG21 ILE 38 -0.214 -6.103 -8.670 291 HG22 ILE 38 HG22 ILE 38 1.512 -6.118 -8.234 292 HG23 ILE 38 HG23 ILE 38 0.305 -5.516 -7.072 293 HD11 ILE 38 HD11 ILE 38 2.613 -2.258 -6.554 294 HD12 ILE 38 HD12 ILE 38 0.882 -2.671 -6.577 295 HD13 ILE 38 HD13 ILE 38 2.082 -3.895 -6.100 296 H GLU 39 HN GLU 39 0.650 -5.967 -12.099 297 HA GLU 39 HA GLU 39 -2.178 -5.948 -12.432 298 HB2 GLU 39 HB2 GLU 39 -1.756 -7.519 -14.262 299 HB3 GLU 39 HB3 GLU 39 -0.614 -6.193 -14.354 300 HG2 GLU 39 HG2 GLU 39 1.138 -7.620 -14.167 301 HG3 GLU 39 HG3 GLU 39 0.513 -8.255 -12.658 302 HE2 GLU 39 HE2 GLU 39 1.659 -9.815 -14.870 303 H GLY 40 HN GLY 40 -1.874 -6.593 -9.826 304 HA2 GLY 40 HA1 GLY 40 -3.158 -9.061 -9.561 305 HA3 GLY 40 HA2 GLY 40 -1.454 -9.316 -9.236 306 H PHE 41 HN PHE 41 -3.230 -6.252 -8.615 307 HA PHE 41 HA PHE 41 -2.528 -6.555 -5.802 308 HB2 PHE 41 HB2 PHE 41 -1.894 -4.506 -7.183 309 HB3 PHE 41 HB3 PHE 41 -3.593 -4.221 -7.504 310 HD1 PHE 41 HD1 PHE 41 -1.308 -4.683 -4.583 311 HD2 PHE 41 HD2 PHE 41 -4.691 -2.683 -6.185 312 HE1 PHE 41 HE1 PHE 41 -1.467 -3.285 -2.504 313 HE2 PHE 41 HE2 PHE 41 -4.850 -1.286 -4.106 314 HZ PHE 41 HZ PHE 41 -3.235 -1.604 -2.290 315 H GLY 42 HN GLY 42 -4.190 -5.517 -4.220 316 HA2 GLY 42 HA1 GLY 42 -6.706 -5.000 -4.317 317 HA3 GLY 42 HA2 GLY 42 -6.825 -6.655 -4.881 318 H LYS 43 HN LYS 43 -8.158 -5.999 -2.558 319 HA LYS 43 HA LYS 43 -7.088 -5.973 -0.158 320 HB2 LYS 43 HB2 LYS 43 -8.912 -7.858 0.357 321 HB3 LYS 43 HB3 LYS 43 -9.337 -6.198 -0.009 322 HG2 LYS 43 HG2 LYS 43 -10.255 -6.742 -2.039 323 HG3 LYS 43 HG3 LYS 43 -8.969 -7.866 -2.433 324 HD2 LYS 43 HD2 LYS 43 -11.235 -8.959 -2.130 325 HD3 LYS 43 HD3 LYS 43 -9.977 -9.633 -1.112 326 HE2 LYS 43 HE2 LYS 43 -10.944 -8.861 0.834 327 HE3 LYS 43 HE3 LYS 43 -11.450 -7.347 0.110 328 HZ1 LYS 43 HZ1 LYS 43 -12.863 -9.911 0.131 329 HZ2 LYS 43 HZ2 LYS 43 -13.465 -8.410 0.319 330 H GLU 44 HN GLU 44 -6.983 -8.801 -2.376 331 HA GLU 44 HA GLU 44 -6.148 -10.767 -0.850 332 HB2 GLU 44 HB2 GLU 44 -5.175 -9.849 -3.562 333 HB3 GLU 44 HB3 GLU 44 -4.451 -11.264 -2.825 334 HG2 GLU 44 HG2 GLU 44 -7.411 -11.265 -2.672 335 HG3 GLU 44 HG3 GLU 44 -6.809 -11.238 -4.318 336 HE2 GLU 44 HE2 GLU 44 -7.730 -13.545 -4.183 337 H MET 45 HN MET 45 -3.619 -8.689 -2.436 338 HA MET 45 HA MET 45 -1.749 -9.461 -0.451 339 HB2 MET 45 HB2 MET 45 -1.630 -8.553 -3.074 340 HB3 MET 45 HB3 MET 45 -1.179 -7.097 -2.208 341 HG2 MET 45 HG2 MET 45 0.493 -8.626 -0.893 342 HG3 MET 45 HG3 MET 45 0.207 -9.806 -2.156 343 HE1 MET 45 HE1 MET 45 -0.434 -8.006 -4.580 344 HE2 MET 45 HE2 MET 45 1.130 -7.665 -5.360 345 HE3 MET 45 HE3 MET 45 0.752 -9.314 -4.805 346 H ALA 46 HN ALA 46 -3.563 -6.448 -1.289 347 HA ALA 46 HA ALA 46 -2.392 -4.674 0.401 348 HB1 ALA 46 HB1 ALA 46 -4.261 -4.302 -1.267 349 HB2 ALA 46 HB2 ALA 46 -5.388 -4.944 -0.048 350 HB3 ALA 46 HB3 ALA 46 -4.470 -3.457 0.286 351 H HIS 47 HN HIS 47 -4.260 -7.545 1.192 352 HA HIS 47 HA HIS 47 -4.471 -6.636 3.958 353 HB2 HIS 47 HB2 HIS 47 -5.812 -8.926 2.496 354 HB3 HIS 47 HB3 HIS 47 -5.992 -8.606 4.209 355 HD1 HIS 47 HD1 HIS 47 -8.430 -8.538 2.270 356 HD2 HIS 47 HD2 HIS 47 -6.215 -5.167 3.423 357 HE1 HIS 47 HE1 HIS 47 -9.965 -6.527 1.942 358 H GLY 48 HN GLY 48 -3.573 -9.589 2.031 359 HA2 GLY 48 HA1 GLY 48 -2.328 -10.969 4.102 360 HA3 GLY 48 HA2 GLY 48 -2.016 -11.168 2.389 361 H LYS 49 HN LYS 49 0.251 -11.411 2.555 362 HA LYS 49 HA LYS 49 1.773 -9.455 3.998 363 HB2 LYS 49 HB2 LYS 49 2.153 -12.102 3.113 364 HB3 LYS 49 HB3 LYS 49 3.317 -11.146 2.219 365 HG2 LYS 49 HG2 LYS 49 3.562 -10.038 4.739 366 HG3 LYS 49 HG3 LYS 49 3.164 -11.695 5.146 367 HD2 LYS 49 HD2 LYS 49 5.401 -12.083 4.870 368 HD3 LYS 49 HD3 LYS 49 5.024 -12.109 3.159 369 HE2 LYS 49 HE2 LYS 49 6.719 -10.514 3.155 370 HE3 LYS 49 HE3 LYS 49 5.332 -9.462 3.359 371 HZ1 LYS 49 HZ1 LYS 49 6.284 -8.795 5.266 372 HZ2 LYS 49 HZ2 LYS 49 6.043 -10.270 5.912 373 H GLY 50 HN GLY 50 0.281 -7.924 2.398 374 HA2 GLY 50 HA1 GLY 50 1.979 -7.322 0.055 375 HA3 GLY 50 HA2 GLY 50 0.268 -6.971 0.188 376 H CYS 51 HN CYS 51 -0.274 -5.616 2.353 377 HA CYS 51 HA CYS 51 1.726 -3.474 2.442 378 HB2 CYS 51 HB2 CYS 51 -1.259 -3.154 2.793 379 HB3 CYS 51 HB3 CYS 51 -0.055 -1.881 2.737 380 H LYS 52 HN LYS 52 -1.002 -5.116 4.202 381 HA LYS 52 HA LYS 52 -0.319 -4.070 6.715 382 HB2 LYS 52 HB2 LYS 52 -1.791 -6.665 6.256 383 HB3 LYS 52 HB3 LYS 52 -1.974 -5.523 7.572 384 HG2 LYS 52 HG2 LYS 52 -2.472 -3.935 5.329 385 HG3 LYS 52 HG3 LYS 52 -3.164 -5.475 4.859 386 HD2 LYS 52 HD2 LYS 52 -3.792 -3.967 7.442 387 HD3 LYS 52 HD3 LYS 52 -4.831 -4.043 6.032 388 HE2 LYS 52 HE2 LYS 52 -5.659 -6.071 6.645 389 HE3 LYS 52 HE3 LYS 52 -4.052 -6.740 6.852 390 HZ1 LYS 52 HZ1 LYS 52 -5.095 -6.751 8.980 391 HZ2 LYS 52 HZ2 LYS 52 -4.014 -5.535 9.057 392 H GLY 53 HN GLY 53 1.035 -6.612 4.725 393 HA2 GLY 53 HA1 GLY 53 2.155 -8.226 6.750 394 HA3 GLY 53 HA2 GLY 53 2.669 -8.116 5.078 395 H CYS 54 HN CYS 54 3.495 -5.477 4.780 396 HA CYS 54 HA CYS 54 5.889 -5.530 6.387 397 HB2 CYS 54 HB2 CYS 54 5.787 -5.133 3.840 398 HB3 CYS 54 HB3 CYS 54 5.237 -3.515 4.230 399 H HIS 55 HN HIS 55 3.129 -4.882 7.506 400 HA HIS 55 HA HIS 55 3.766 -2.175 8.431 401 HB2 HIS 55 HB2 HIS 55 1.142 -3.421 7.658 402 HB3 HIS 55 HB3 HIS 55 1.178 -2.153 8.867 403 HD1 HIS 55 HD1 HIS 55 -0.331 -1.101 6.715 404 HD2 HIS 55 HD2 HIS 55 3.848 -1.230 6.378 405 HE1 HIS 55 HE1 HIS 55 0.292 0.573 4.893 406 H GLU 56 HN GLU 56 1.612 -4.951 9.380 407 HA GLU 56 HA GLU 56 1.742 -4.456 12.056 408 HB2 GLU 56 HB2 GLU 56 0.957 -6.706 10.311 409 HB3 GLU 56 HB3 GLU 56 1.490 -7.233 11.895 410 HG2 GLU 56 HG2 GLU 56 -0.079 -5.436 12.882 411 HG3 GLU 56 HG3 GLU 56 -0.731 -5.240 11.267 412 HE2 GLU 56 HE2 GLU 56 -1.090 -7.076 14.038 413 H GLU 57 HN GLU 57 3.880 -6.526 10.003 414 HA GLU 57 HA GLU 57 5.335 -7.802 11.813 415 HB2 GLU 57 HB2 GLU 57 5.926 -6.597 9.151 416 HB3 GLU 57 HB3 GLU 57 7.338 -7.005 10.107 417 HG2 GLU 57 HG2 GLU 57 5.616 -9.228 10.418 418 HG3 GLU 57 HG3 GLU 57 5.451 -8.785 8.730 419 HE2 GLU 57 HE2 GLU 57 8.606 -10.707 9.914 420 H MET 58 HN MET 58 5.652 -4.317 10.939 421 HA MET 58 HA MET 58 7.656 -4.064 13.023 422 HB2 MET 58 HB2 MET 58 6.666 -2.074 10.905 423 HB3 MET 58 HB3 MET 58 8.013 -1.791 11.990 424 HG2 MET 58 HG2 MET 58 8.411 -4.341 10.655 425 HG3 MET 58 HG3 MET 58 8.054 -3.122 9.448 426 HE1 MET 58 HE1 MET 58 10.019 -1.225 8.703 427 HE2 MET 58 HE2 MET 58 11.490 -2.225 8.770 428 HE3 MET 58 HE3 MET 58 9.941 -2.953 8.281 429 H LYS 59 HN LYS 59 4.287 -3.686 12.469 430 HA LYS 59 HA LYS 59 2.649 -2.867 13.702 431 HB2 LYS 59 HB2 LYS 59 4.781 -2.449 15.819 432 HB3 LYS 59 HB3 LYS 59 3.054 -2.322 16.086 433 HG2 LYS 59 HG2 LYS 59 4.423 -4.830 15.005 434 HG3 LYS 59 HG3 LYS 59 4.052 -4.579 16.699 435 HD2 LYS 59 HD2 LYS 59 1.600 -4.031 15.600 436 HD3 LYS 59 HD3 LYS 59 2.208 -5.174 14.418 437 HE2 LYS 59 HE2 LYS 59 2.283 -6.944 15.949 438 HE3 LYS 59 HE3 LYS 59 2.549 -5.891 17.324 439 HZ1 LYS 59 HZ1 LYS 59 0.346 -6.348 17.642 440 HZ2 LYS 59 HZ2 LYS 59 0.112 -5.105 16.617 441 H LYS 60 HN LYS 60 3.633 -1.260 11.706 442 HA LYS 60 HA LYS 60 3.062 1.348 12.824 443 HB2 LYS 60 HB2 LYS 60 5.706 0.598 11.614 444 HB3 LYS 60 HB3 LYS 60 5.070 2.209 11.354 445 HG2 LYS 60 HG2 LYS 60 4.666 1.678 14.122 446 HG3 LYS 60 HG3 LYS 60 6.271 1.074 13.764 447 HD2 LYS 60 HD2 LYS 60 5.424 3.813 12.766 448 HD3 LYS 60 HD3 LYS 60 5.958 3.611 14.423 449 HE2 LYS 60 HE2 LYS 60 8.140 3.484 13.793 450 HE3 LYS 60 HE3 LYS 60 7.794 2.240 12.608 451 HZ1 LYS 60 HZ1 LYS 60 7.580 5.170 12.204 452 HZ2 LYS 60 HZ2 LYS 60 8.571 4.140 11.424 453 H GLY 61 HN GLY 61 1.538 2.277 11.569 454 HA2 GLY 61 HA1 GLY 61 1.071 3.050 9.293 455 HA3 GLY 61 HA2 GLY 61 1.426 1.427 8.736 456 HA PRO 62 HA PRO 62 -3.180 2.044 9.636 457 HB2 PRO 62 HB2 PRO 62 -4.041 1.517 7.088 458 HB3 PRO 62 HB3 PRO 62 -3.487 3.143 7.602 459 HG2 PRO 62 HG2 PRO 62 -1.848 1.093 6.207 460 HG3 PRO 62 HG3 PRO 62 -2.023 2.811 5.723 461 HD2 PRO 62 HD2 PRO 62 0.093 2.062 7.195 462 HD3 PRO 62 HD3 PRO 62 -0.802 3.537 7.673 463 H THR 63 HN THR 63 -3.293 0.117 10.906 464 HA THR 63 HA THR 63 -3.166 -2.378 9.345 465 HB THR 63 HB THR 63 -2.732 -3.338 11.725 466 HG1 THR 63 HG1 THR 63 -3.478 -1.332 12.775 467 HG21 THR 63 HG21 THR 63 -0.394 -1.844 11.744 468 HG22 THR 63 HG22 THR 63 -0.635 -3.307 10.759 469 HG23 THR 63 HG23 THR 63 -0.896 -1.699 10.042 470 H LYS 64 HN LYS 64 -5.322 -0.138 10.517 471 HA LYS 64 HA LYS 64 -7.266 -2.226 11.208 472 HB2 LYS 64 HB2 LYS 64 -7.331 0.734 11.868 473 HB3 LYS 64 HB3 LYS 64 -8.510 -0.464 12.362 474 HG2 LYS 64 HG2 LYS 64 -5.573 -0.844 13.035 475 HG3 LYS 64 HG3 LYS 64 -6.577 0.196 14.026 476 HD2 LYS 64 HD2 LYS 64 -8.133 -2.137 13.682 477 HD3 LYS 64 HD3 LYS 64 -6.502 -2.740 13.894 478 HE2 LYS 64 HE2 LYS 64 -6.812 -2.460 16.131 479 HE3 LYS 64 HE3 LYS 64 -6.676 -0.737 15.844 480 HZ1 LYS 64 HZ1 LYS 64 -8.839 -0.518 16.352 481 HZ2 LYS 64 HZ2 LYS 64 -9.299 -1.579 15.207 482 H CYS 65 HN CYS 65 -9.569 -1.707 10.461 483 HA CYS 65 HA CYS 65 -9.415 -1.202 7.652 484 HB2 CYS 65 HB2 CYS 65 -12.055 -1.503 8.964 485 HB3 CYS 65 HB3 CYS 65 -11.436 -2.216 7.487 486 H GLY 66 HN GLY 66 -9.662 0.689 10.467 487 HA2 GLY 66 HA1 GLY 66 -11.387 2.722 9.234 488 HA3 GLY 66 HA2 GLY 66 -10.882 2.641 10.910 489 H GLU 67 HN GLU 67 -8.204 1.831 8.989 490 HA GLU 67 HA GLU 67 -7.280 4.588 9.166 491 HB2 GLU 67 HB2 GLU 67 -6.165 2.464 10.388 492 HB3 GLU 67 HB3 GLU 67 -5.363 2.293 8.840 493 HG2 GLU 67 HG2 GLU 67 -3.894 3.897 9.476 494 HG3 GLU 67 HG3 GLU 67 -5.202 5.062 9.434 495 HE2 GLU 67 HE2 GLU 67 -4.965 3.181 12.924 496 H CYS 68 HN CYS 68 -7.339 1.614 7.124 497 HA CYS 68 HA CYS 68 -6.155 3.060 4.930 498 HB2 CYS 68 HB2 CYS 68 -6.737 0.224 5.561 499 HB3 CYS 68 HB3 CYS 68 -6.912 0.659 3.872 500 H HIS 69 HN HIS 69 -9.248 1.300 5.705 501 HA HIS 69 HA HIS 69 -10.507 2.554 3.431 502 HB2 HIS 69 HB2 HIS 69 -11.547 0.580 5.483 503 HB3 HIS 69 HB3 HIS 69 -12.455 1.157 4.100 504 HD1 HIS 69 HD1 HIS 69 -11.122 0.674 1.666 505 HD2 HIS 69 HD2 HIS 69 -10.175 -1.724 4.975 506 HE1 HIS 69 HE1 HIS 69 -10.023 -1.431 0.732 507 H LYS 70 HN LYS 70 -10.266 4.788 4.204 508 HA LYS 70 HA LYS 70 -12.589 5.631 5.576 509 HB2 LYS 70 HB2 LYS 70 -11.045 4.800 7.457 510 HB3 LYS 70 HB3 LYS 70 -10.034 6.184 7.091 511 HG2 LYS 70 HG2 LYS 70 -12.133 7.648 7.344 512 HG3 LYS 70 HG3 LYS 70 -12.960 6.229 7.956 513 HD2 LYS 70 HD2 LYS 70 -11.714 6.172 9.935 514 HD3 LYS 70 HD3 LYS 70 -10.310 6.925 9.206 515 HE2 LYS 70 HE2 LYS 70 -11.378 9.118 9.217 516 HE3 LYS 70 HE3 LYS 70 -12.925 8.429 9.665 517 HZ1 LYS 70 HZ1 LYS 70 -11.681 9.386 11.573 518 HZ2 LYS 70 HZ2 LYS 70 -12.016 7.810 11.804 519 H LYS 71 HN LYS 71 -12.521 6.511 3.316 520 HA LYS 71 HA LYS 71 -10.675 8.121 2.236 521 HB2 LYS 71 HB2 LYS 71 -12.291 8.611 0.762 522 HB3 LYS 71 HB3 LYS 71 -13.268 7.486 1.684 523 HG2 LYS 71 HG2 LYS 71 -14.671 9.346 1.708 524 HG3 LYS 71 HG3 LYS 71 -13.783 9.621 3.194 525 HD2 LYS 71 HD2 LYS 71 -12.363 11.266 2.183 526 HD3 LYS 71 HD3 LYS 71 -12.782 10.759 0.559 527 HE2 LYS 71 HE2 LYS 71 -15.200 11.522 2.003 528 HE3 LYS 71 HE3 LYS 71 -14.019 12.812 2.109 529 HZ1 LYS 71 HZ1 LYS 71 -15.197 13.153 0.095 530 HZ2 LYS 71 HZ2 LYS 71 -13.772 12.533 -0.391
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