NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
10496 | 1pu3 | 4371 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 H1 MET 1 -6.791 14.284 -0.797 2 2H MET 1 H2 MET 1 -7.207 15.890 -0.429 3 3H MET 1 H3 MET 1 -7.536 14.654 0.683 4 HA MET 1 HA MET 1 -4.872 15.640 -0.151 5 1HB MET 1 HB2 MET 1 -6.076 17.058 1.478 6 2HB MET 1 HB3 MET 1 -6.269 15.668 2.535 7 1HG MET 1 HG2 MET 1 -3.838 15.520 2.770 8 2HG MET 1 HG3 MET 1 -3.661 16.934 1.733 9 1HE MET 1 HE1 MET 1 -2.214 18.180 3.589 10 2HE MET 1 HE2 MET 1 -2.720 18.327 5.273 11 3HE MET 1 HE3 MET 1 -2.344 16.740 4.600 12 H GLN 2 HN GLN 2 -5.948 13.859 2.730 13 HA GLN 2 HA GLN 2 -4.119 11.693 2.018 14 1HB GLN 2 HB2 GLN 2 -5.526 12.512 4.518 15 2HB GLN 2 HB3 GLN 2 -5.150 10.809 4.308 16 1HG GLN 2 HG2 GLN 2 -3.434 11.944 5.594 17 2HG GLN 2 HG3 GLN 2 -2.792 11.338 4.071 18 1HE2 GLN 2 HE21 GLN 2 -2.135 12.800 2.497 19 2HE2 GLN 2 HE22 GLN 2 -1.918 14.481 2.828 20 H ASP 3 HN ASP 3 -5.356 11.100 0.184 21 HA ASP 3 HA ASP 3 -7.731 9.515 0.800 22 1HB ASP 3 HB2 ASP 3 -9.015 10.523 -0.990 23 2HB ASP 3 HB3 ASP 3 -8.474 11.796 0.100 24 H TRP 4 HN TRP 4 -8.479 8.863 -1.692 25 HA TRP 4 HA TRP 4 -6.944 6.624 -2.177 26 1HB TRP 4 HB2 TRP 4 -9.285 6.784 -2.776 27 2HB TRP 4 HB3 TRP 4 -8.931 8.035 -3.959 28 HD1 TRP 4 HD1 TRP 4 -8.944 7.157 -6.339 29 HE1 TRP 4 HE1 TRP 4 -8.458 4.911 -7.501 30 HE3 TRP 4 HE3 TRP 4 -7.584 4.418 -2.247 31 HZ2 TRP 4 HZ2 TRP 4 -7.615 2.321 -6.764 32 HZ3 TRP 4 HZ3 TRP 4 -6.958 2.060 -2.558 33 HH2 TRP 4 HH2 TRP 4 -6.965 1.037 -4.774 34 H LEU 5 HN LEU 5 -6.782 9.790 -3.793 35 HA LEU 5 HA LEU 5 -5.238 8.926 -5.994 36 1HB LEU 5 HB2 LEU 5 -5.666 11.589 -4.685 37 2HB LEU 5 HB3 LEU 5 -4.517 11.416 -5.998 38 HG LEU 5 HG LEU 5 -6.659 12.240 -6.807 39 1HD1 LEU 5 HD11 LEU 5 -7.024 10.621 -8.594 40 2HD1 LEU 5 HD12 LEU 5 -5.303 10.857 -8.286 41 3HD1 LEU 5 HD13 LEU 5 -6.115 9.411 -7.686 42 1HD2 LEU 5 HD21 LEU 5 -7.806 9.648 -5.789 43 2HD2 LEU 5 HD22 LEU 5 -8.131 11.254 -5.138 44 3HD2 LEU 5 HD23 LEU 5 -8.659 10.840 -6.770 45 H THR 6 HN THR 6 -4.253 10.388 -2.910 46 HA THR 6 HA THR 6 -1.458 10.145 -3.454 47 HB THR 6 HB THR 6 -2.829 10.471 -0.770 48 HG1 THR 6 HG1 THR 6 -3.053 12.547 -1.247 49 1HG2 THR 6 HG21 THR 6 -0.480 9.844 -0.578 50 2HG2 THR 6 HG22 THR 6 -0.709 11.527 -0.097 51 3HG2 THR 6 HG23 THR 6 -0.027 11.147 -1.678 52 H PHE 7 HN PHE 7 -3.888 8.214 -1.853 53 HA PHE 7 HA PHE 7 -2.291 6.291 -0.603 54 1HB PHE 7 HB2 PHE 7 -4.763 6.610 -0.325 55 2HB PHE 7 HB3 PHE 7 -5.000 5.891 -1.911 56 HD1 PHE 7 HD1 PHE 7 -4.641 5.310 1.577 57 HD2 PHE 7 HD2 PHE 7 -4.245 3.474 -2.245 58 HE1 PHE 7 HE1 PHE 7 -4.760 3.087 2.632 59 HE2 PHE 7 HE2 PHE 7 -4.366 1.252 -1.194 60 HZ PHE 7 HZ PHE 7 -4.626 1.057 1.245 61 H GLN 8 HN GLN 8 -3.557 6.465 -3.904 62 HA GLN 8 HA GLN 8 -2.860 3.933 -4.796 63 1HB GLN 8 HB2 GLN 8 -3.340 6.559 -6.087 64 2HB GLN 8 HB3 GLN 8 -2.578 5.305 -7.043 65 1HG GLN 8 HG2 GLN 8 -4.480 3.808 -6.470 66 2HG GLN 8 HG3 GLN 8 -5.259 5.192 -5.697 67 1HE2 GLN 8 HE21 GLN 8 -5.968 6.917 -6.990 68 2HE2 GLN 8 HE22 GLN 8 -6.204 6.742 -8.695 69 H LYS 9 HN LYS 9 -1.047 6.938 -5.492 70 HA LYS 9 HA LYS 9 1.034 5.707 -6.816 71 1HB LYS 9 HB2 LYS 9 1.523 8.150 -5.168 72 2HB LYS 9 HB3 LYS 9 2.101 7.764 -6.787 73 1HG LYS 9 HG2 LYS 9 -0.317 7.892 -7.522 74 2HG LYS 9 HG3 LYS 9 -0.638 8.606 -5.948 75 1HD LYS 9 HD2 LYS 9 1.221 9.676 -8.037 76 2HD LYS 9 HD3 LYS 9 -0.369 10.303 -7.619 77 1HE LYS 9 HE2 LYS 9 0.396 10.900 -5.412 78 2HE LYS 9 HE3 LYS 9 1.970 10.170 -5.726 79 1HZ LYS 9 HZ1 LYS 9 1.997 12.590 -5.962 80 2HZ LYS 9 HZ2 LYS 9 0.846 12.493 -7.202 81 3HZ LYS 9 HZ3 LYS 9 2.385 11.816 -7.420 82 H LYS 10 HN LYS 10 0.511 6.039 -3.420 83 HA LYS 10 HA LYS 10 3.275 5.357 -2.791 84 1HB LYS 10 HB2 LYS 10 0.979 6.230 -1.039 85 2HB LYS 10 HB3 LYS 10 2.581 5.841 -0.435 86 1HG LYS 10 HG2 LYS 10 3.492 7.604 -1.962 87 2HG LYS 10 HG3 LYS 10 1.828 8.065 -2.317 88 1HD LYS 10 HD2 LYS 10 2.660 9.543 -0.632 89 2HD LYS 10 HD3 LYS 10 1.502 8.456 0.133 90 1HE LYS 10 HE2 LYS 10 3.235 7.167 1.119 91 2HE LYS 10 HE3 LYS 10 4.470 7.966 0.149 92 1HZ LYS 10 HZ1 LYS 10 2.794 9.405 2.130 93 2HZ LYS 10 HZ2 LYS 10 4.201 9.959 1.364 94 3HZ LYS 10 HZ3 LYS 10 4.296 8.718 2.514 95 H HIS 11 HN HIS 11 0.430 3.599 -3.283 96 HA HIS 11 HA HIS 11 1.554 1.412 -1.674 97 1HB HIS 11 HB2 HIS 11 -1.306 2.346 -1.530 98 2HB HIS 11 HB3 HIS 11 -0.774 0.772 -0.951 99 HD1 HIS 11 HD1 HIS 11 1.169 0.909 0.984 100 HD2 HIS 11 HD2 HIS 11 -1.099 4.332 0.296 101 HE1 HIS 11 HE1 HIS 11 1.479 2.355 3.021 102 HE2 HIS 11 HE2 HIS 11 -0.044 4.333 2.659 103 H ILE 12 HN ILE 12 0.075 2.369 -4.594 104 HA ILE 12 HA ILE 12 -0.785 -0.376 -5.157 105 HB ILE 12 HB ILE 12 -1.334 2.166 -6.711 106 1HG1 ILE 12 HG12 ILE 12 -2.509 2.127 -4.582 107 2HG1 ILE 12 HG13 ILE 12 -3.646 1.889 -5.900 108 1HG2 ILE 12 HG21 ILE 12 -2.924 0.830 -7.995 109 2HG2 ILE 12 HG22 ILE 12 -1.279 0.216 -8.171 110 3HG2 ILE 12 HG23 ILE 12 -2.423 -0.614 -7.117 111 1HD1 ILE 12 HD11 ILE 12 -4.173 0.439 -4.046 112 2HD1 ILE 12 HD12 ILE 12 -3.651 -0.517 -5.433 113 3HD1 ILE 12 HD13 ILE 12 -2.547 -0.244 -4.086 114 H THR 13 HN THR 13 0.868 -1.572 -5.873 115 HA THR 13 HA THR 13 2.463 -0.452 -8.079 116 HB THR 13 HB THR 13 3.874 -0.956 -6.099 117 HG1 THR 13 HG1 THR 13 5.244 -2.574 -7.364 118 1HG2 THR 13 HG21 THR 13 2.689 -2.817 -5.123 119 2HG2 THR 13 HG22 THR 13 4.328 -3.326 -5.547 120 3HG2 THR 13 HG23 THR 13 2.965 -3.792 -6.570 121 H ASN 14 HN ASN 14 2.863 -1.790 -9.868 122 HA ASN 14 HA ASN 14 0.895 -3.961 -10.124 123 1HB ASN 14 HB2 ASN 14 0.889 -3.510 -12.525 124 2HB ASN 14 HB3 ASN 14 0.516 -2.045 -11.625 125 1HD2 ASN 14 HD21 ASN 14 2.064 -0.382 -11.522 126 2HD2 ASN 14 HD22 ASN 14 3.351 -0.287 -12.684 127 H THR 15 HN THR 15 3.809 -3.847 -9.200 128 HA THR 15 HA THR 15 4.549 -6.292 -10.610 129 HB THR 15 HB THR 15 5.875 -4.552 -11.696 130 HG1 THR 15 HG1 THR 15 7.764 -5.636 -11.538 131 1HG2 THR 15 HG21 THR 15 6.921 -3.927 -8.932 132 2HG2 THR 15 HG22 THR 15 5.904 -2.880 -9.922 133 3HG2 THR 15 HG23 THR 15 7.548 -3.260 -10.440 134 H ARG 16 HN ARG 16 5.503 -7.823 -9.326 135 HA ARG 16 HA ARG 16 5.171 -7.614 -6.513 136 1HB ARG 16 HB2 ARG 16 6.531 -9.650 -8.273 137 2HB ARG 16 HB3 ARG 16 6.493 -9.809 -6.523 138 1HG ARG 16 HG2 ARG 16 4.028 -9.551 -8.225 139 2HG ARG 16 HG3 ARG 16 4.738 -11.094 -7.743 140 1HD ARG 16 HD2 ARG 16 3.978 -8.981 -5.748 141 2HD ARG 16 HD3 ARG 16 2.828 -10.187 -6.319 142 HE ARG 16 HE ARG 16 4.722 -11.801 -5.507 143 1HH1 ARG 16 HH12 ARG 16 3.791 -8.797 -3.976 144 2HH1 ARG 16 HH11 ARG 16 4.028 -9.386 -2.363 145 1HH2 ARG 16 HH22 ARG 16 5.000 -12.616 -3.382 146 2HH2 ARG 16 HH21 ARG 16 4.697 -11.570 -2.027 147 H ASP 17 HN ASP 17 7.729 -6.779 -8.630 148 HA ASP 17 HA ASP 17 9.621 -6.666 -6.375 149 1HB ASP 17 HB2 ASP 17 10.063 -8.004 -8.625 150 2HB ASP 17 HB3 ASP 17 10.529 -6.413 -9.215 151 H VAL 18 HN VAL 18 8.632 -4.657 -5.703 152 HA VAL 18 HA VAL 18 8.938 -2.363 -7.423 153 HB VAL 18 HB VAL 18 7.081 -2.146 -6.001 154 1HG1 VAL 18 HG11 VAL 18 8.870 -2.868 -3.688 155 2HG1 VAL 18 HG12 VAL 18 7.214 -2.276 -3.534 156 3HG1 VAL 18 HG13 VAL 18 7.529 -3.817 -4.335 157 1HG2 VAL 18 HG21 VAL 18 7.673 -0.238 -4.496 158 2HG2 VAL 18 HG22 VAL 18 9.366 -0.535 -4.900 159 3HG2 VAL 18 HG23 VAL 18 8.224 -0.071 -6.165 160 H ASP 19 HN ASP 19 10.766 -1.225 -7.649 161 HA ASP 19 HA ASP 19 13.060 -1.915 -6.078 162 1HB ASP 19 HB2 ASP 19 13.282 -1.383 -8.478 163 2HB ASP 19 HB3 ASP 19 12.776 0.272 -8.147 164 H CYS 20 HN CYS 20 12.500 -1.365 -4.021 165 HA CYS 20 HA CYS 20 11.500 0.989 -3.033 166 1HB CYS 20 HB2 CYS 20 13.667 -0.499 -1.584 167 2HB CYS 20 HB3 CYS 20 12.223 0.273 -0.934 168 H ASP 21 HN ASP 21 14.884 0.177 -3.634 169 HA ASP 21 HA ASP 21 16.275 2.212 -2.530 170 1HB ASP 21 HB2 ASP 21 16.684 0.831 -5.165 171 2HB ASP 21 HB3 ASP 21 17.807 2.059 -4.596 172 H ASN 22 HN ASN 22 14.922 2.416 -5.833 173 HA ASN 22 HA ASN 22 15.645 5.227 -5.948 174 1HB ASN 22 HB2 ASN 22 15.934 3.750 -7.905 175 2HB ASN 22 HB3 ASN 22 14.203 3.494 -7.957 176 1HD2 ASN 22 HD21 ASN 22 14.084 4.300 -10.040 177 2HD2 ASN 22 HD22 ASN 22 14.215 5.993 -10.380 178 H ILE 23 HN ILE 23 12.705 3.294 -6.065 179 HA ILE 23 HA ILE 23 10.918 5.389 -6.503 180 HB ILE 23 HB ILE 23 10.464 2.732 -5.147 181 1HG1 ILE 23 HG12 ILE 23 9.904 3.745 -7.948 182 2HG1 ILE 23 HG13 ILE 23 11.188 2.630 -7.491 183 1HG2 ILE 23 HG21 ILE 23 8.070 3.093 -5.514 184 2HG2 ILE 23 HG22 ILE 23 8.740 4.323 -4.437 185 3HG2 ILE 23 HG23 ILE 23 8.405 4.715 -6.125 186 1HD1 ILE 23 HD11 ILE 23 9.342 1.456 -8.518 187 2HD1 ILE 23 HD12 ILE 23 9.507 0.986 -6.827 188 3HD1 ILE 23 HD13 ILE 23 8.233 2.103 -7.308 189 H LEU 24 HN LEU 24 12.171 4.126 -3.418 190 HA LEU 24 HA LEU 24 10.289 5.746 -1.938 191 1HB LEU 24 HB2 LEU 24 12.612 4.153 -0.879 192 2HB LEU 24 HB3 LEU 24 11.304 4.836 0.063 193 HG LEU 24 HG LEU 24 11.162 2.542 -1.874 194 1HD1 LEU 24 HD11 LEU 24 10.595 2.783 1.067 195 2HD1 LEU 24 HD12 LEU 24 10.380 1.330 0.093 196 3HD1 LEU 24 HD13 LEU 24 11.992 1.998 0.330 197 1HD2 LEU 24 HD21 LEU 24 8.791 2.398 -1.292 198 2HD2 LEU 24 HD22 LEU 24 8.913 3.953 -0.469 199 3HD2 LEU 24 HD23 LEU 24 9.177 3.856 -2.211 200 H SER 25 HN SER 25 13.299 6.348 -3.328 201 HA SER 25 HA SER 25 14.093 8.221 -1.242 202 1HB SER 25 HB2 SER 25 16.075 8.606 -2.830 203 2HB SER 25 HB3 SER 25 15.952 7.033 -2.043 204 HG SER 25 HG SER 25 15.544 6.107 -3.906 205 H THR 26 HN THR 26 11.919 8.316 -3.592 206 HA THR 26 HA THR 26 12.418 10.946 -4.644 207 HB THR 26 HB THR 26 10.080 10.811 -5.471 208 HG1 THR 26 HG1 THR 26 9.926 8.139 -4.570 209 1HG2 THR 26 HG21 THR 26 11.727 8.336 -5.997 210 2HG2 THR 26 HG22 THR 26 11.888 9.885 -6.824 211 3HG2 THR 26 HG23 THR 26 10.415 8.932 -7.013 212 H ASN 27 HN ASN 27 10.570 12.639 -4.276 213 HA ASN 27 HA ASN 27 10.611 13.272 -1.483 214 1HB ASN 27 HB2 ASN 27 10.716 14.982 -3.288 215 2HB ASN 27 HB3 ASN 27 9.053 14.601 -3.716 216 1HD2 ASN 27 HD21 ASN 27 8.338 16.666 -3.291 217 2HD2 ASN 27 HD22 ASN 27 8.206 17.291 -1.685 218 H LEU 28 HN LEU 28 8.638 11.366 -3.378 219 HA LEU 28 HA LEU 28 6.099 11.828 -2.172 220 1HB LEU 28 HB2 LEU 28 6.424 10.819 -4.413 221 2HB LEU 28 HB3 LEU 28 7.121 9.401 -3.657 222 HG LEU 28 HG LEU 28 4.933 9.006 -2.515 223 1HD1 LEU 28 HD11 LEU 28 4.042 11.253 -2.558 224 2HD1 LEU 28 HD12 LEU 28 4.019 11.239 -4.322 225 3HD1 LEU 28 HD13 LEU 28 2.954 10.161 -3.419 226 1HD2 LEU 28 HD21 LEU 28 3.807 8.156 -4.519 227 2HD2 LEU 28 HD22 LEU 28 4.883 9.120 -5.529 228 3HD2 LEU 28 HD23 LEU 28 5.536 7.810 -4.547 229 H PHE 29 HN PHE 29 8.862 9.857 -1.406 230 HA PHE 29 HA PHE 29 7.407 8.779 0.920 231 1HB PHE 29 HB2 PHE 29 9.695 7.467 -0.560 232 2HB PHE 29 HB3 PHE 29 8.870 6.815 0.851 233 HD1 PHE 29 HD1 PHE 29 8.847 7.152 -2.723 234 HD2 PHE 29 HD2 PHE 29 6.469 6.145 0.655 235 HE1 PHE 29 HE1 PHE 29 7.240 6.030 -4.200 236 HE2 PHE 29 HE2 PHE 29 4.852 5.018 -0.817 237 HZ PHE 29 HZ PHE 29 5.235 4.960 -3.248 238 H HIS 30 HN HIS 30 10.447 9.997 -0.344 239 HA HIS 30 HA HIS 30 12.220 11.041 0.585 240 1HB HIS 30 HB2 HIS 30 10.204 12.374 1.542 241 2HB HIS 30 HB3 HIS 30 10.608 11.583 3.062 242 HD1 HIS 30 HD1 HIS 30 11.981 13.078 4.476 243 HD2 HIS 30 HD2 HIS 30 12.823 13.552 0.429 244 HE1 HIS 30 HE1 HIS 30 13.787 14.831 4.358 245 HE2 HIS 30 HE2 HIS 30 14.449 14.905 1.925 246 H CYS 31 HN CYS 31 11.839 8.228 1.033 247 HA CYS 31 HA CYS 31 12.518 6.464 2.245 248 1HB CYS 31 HB2 CYS 31 14.757 8.422 2.487 249 2HB CYS 31 HB3 CYS 31 14.863 6.878 3.333 250 H LYS 32 HN LYS 32 10.560 7.148 3.638 251 HA LYS 32 HA LYS 32 11.142 7.514 6.406 252 1HB LYS 32 HB2 LYS 32 8.853 7.029 6.799 253 2HB LYS 32 HB3 LYS 32 8.921 7.967 5.320 254 1HG LYS 32 HG2 LYS 32 8.786 4.976 5.251 255 2HG LYS 32 HG3 LYS 32 7.340 5.953 5.445 256 1HD LYS 32 HD2 LYS 32 7.324 5.731 3.182 257 2HD LYS 32 HD3 LYS 32 8.320 7.179 3.310 258 1HE LYS 32 HE2 LYS 32 9.160 5.368 1.751 259 2HE LYS 32 HE3 LYS 32 10.310 5.969 2.945 260 1HZ LYS 32 HZ1 LYS 32 10.214 3.495 2.657 261 2HZ LYS 32 HZ2 LYS 32 8.681 3.535 3.380 262 3HZ LYS 32 HZ3 LYS 32 10.043 4.048 4.246 263 H ASP 33 HN ASP 33 10.200 5.622 7.909 264 HA ASP 33 HA ASP 33 12.190 3.710 8.004 265 1HB ASP 33 HB2 ASP 33 10.813 4.302 9.929 266 2HB ASP 33 HB3 ASP 33 9.410 3.550 9.181 267 H LYS 34 HN LYS 34 8.828 3.186 6.845 268 HA LYS 34 HA LYS 34 9.866 1.267 4.931 269 1HB LYS 34 HB2 LYS 34 8.496 -0.608 5.594 270 2HB LYS 34 HB3 LYS 34 9.554 -0.148 6.916 271 1HG LYS 34 HG2 LYS 34 6.976 1.163 7.089 272 2HG LYS 34 HG3 LYS 34 6.836 -0.596 7.059 273 1HD LYS 34 HD2 LYS 34 8.494 1.064 8.952 274 2HD LYS 34 HD3 LYS 34 7.048 0.128 9.343 275 1HE LYS 34 HE2 LYS 34 8.192 -1.936 8.849 276 2HE LYS 34 HE3 LYS 34 9.610 -1.056 8.278 277 1HZ LYS 34 HZ1 LYS 34 8.582 -1.227 11.052 278 2HZ LYS 34 HZ2 LYS 34 9.773 -0.118 10.569 279 3HZ LYS 34 HZ3 LYS 34 10.071 -1.781 10.456 280 H ASN 35 HN ASN 35 7.907 0.199 3.744 281 HA ASN 35 HA ASN 35 5.500 1.758 3.628 282 1HB ASN 35 HB2 ASN 35 7.189 3.124 2.287 283 2HB ASN 35 HB3 ASN 35 7.227 1.787 1.149 284 1HD2 ASN 35 HD21 ASN 35 5.452 1.384 -0.135 285 2HD2 ASN 35 HD22 ASN 35 4.170 2.532 -0.336 286 H THR 36 HN THR 36 4.041 0.193 3.404 287 HA THR 36 HA THR 36 4.739 -2.290 2.079 288 HB THR 36 HB THR 36 2.054 -1.576 3.257 289 HG1 THR 36 HG1 THR 36 4.465 -2.414 4.543 290 1HG2 THR 36 HG21 THR 36 2.135 -3.635 1.947 291 2HG2 THR 36 HG22 THR 36 1.935 -4.003 3.660 292 3HG2 THR 36 HG23 THR 36 3.511 -4.201 2.895 293 H PHE 37 HN PHE 37 4.552 -2.420 -0.070 294 HA PHE 37 HA PHE 37 2.468 -0.899 -1.450 295 1HB PHE 37 HB2 PHE 37 4.699 -2.624 -2.551 296 2HB PHE 37 HB3 PHE 37 3.553 -1.716 -3.525 297 HD1 PHE 37 HD1 PHE 37 6.393 -1.471 -1.219 298 HD2 PHE 37 HD2 PHE 37 3.825 0.639 -3.885 299 HE1 PHE 37 HE1 PHE 37 7.937 0.438 -1.196 300 HE2 PHE 37 HE2 PHE 37 5.372 2.539 -3.867 301 HZ PHE 37 HZ PHE 37 7.429 2.429 -2.535 302 H ILE 38 HN ILE 38 0.962 -1.883 -2.787 303 HA ILE 38 HA ILE 38 0.370 -4.693 -2.131 304 HB ILE 38 HB ILE 38 -1.529 -2.540 -3.092 305 1HG1 ILE 38 HG12 ILE 38 -1.344 -3.673 -0.299 306 2HG1 ILE 38 HG13 ILE 38 -0.504 -2.203 -0.780 307 1HG2 ILE 38 HG21 ILE 38 -2.067 -5.290 -1.968 308 2HG2 ILE 38 HG22 ILE 38 -3.285 -4.108 -2.447 309 3HG2 ILE 38 HG23 ILE 38 -2.220 -4.818 -3.660 310 1HD1 ILE 38 HD11 ILE 38 -3.480 -2.634 -0.864 311 2HD1 ILE 38 HD12 ILE 38 -2.595 -1.720 0.358 312 3HD1 ILE 38 HD13 ILE 38 -2.630 -1.153 -1.311 313 H TYR 39 HN TYR 39 0.818 -6.045 -3.773 314 HA TYR 39 HA TYR 39 0.977 -5.088 -6.488 315 1HB TYR 39 HB2 TYR 39 2.547 -6.805 -5.855 316 2HB TYR 39 HB3 TYR 39 1.248 -7.861 -5.311 317 HD1 TYR 39 HD1 TYR 39 2.452 -6.117 -8.387 318 HD2 TYR 39 HD2 TYR 39 0.453 -9.493 -6.750 319 HE1 TYR 39 HE1 TYR 39 2.341 -7.131 -10.624 320 HE2 TYR 39 HE2 TYR 39 0.339 -10.516 -8.980 321 HH TYR 39 HH TYR 39 0.377 -9.790 -11.347 322 H SER 40 HN SER 40 -1.007 -4.381 -6.986 323 HA SER 40 HA SER 40 -2.811 -6.162 -8.151 324 1HB SER 40 HB2 SER 40 -3.344 -6.556 -5.675 325 2HB SER 40 HB3 SER 40 -3.925 -4.895 -5.633 326 HG SER 40 HG SER 40 -4.954 -7.105 -7.062 327 H ARG 41 HN ARG 41 -4.572 -4.940 -9.163 328 HA ARG 41 HA ARG 41 -3.683 -2.324 -9.882 329 1HB ARG 41 HB2 ARG 41 -6.338 -3.605 -10.533 330 2HB ARG 41 HB3 ARG 41 -5.576 -2.262 -11.371 331 1HG ARG 41 HG2 ARG 41 -3.657 -4.042 -11.726 332 2HG ARG 41 HG3 ARG 41 -5.006 -5.164 -11.514 333 1HD ARG 41 HD2 ARG 41 -5.302 -4.837 -13.714 334 2HD ARG 41 HD3 ARG 41 -6.110 -3.367 -13.191 335 HE ARG 41 HE ARG 41 -3.378 -3.559 -14.257 336 1HH1 ARG 41 HH12 ARG 41 -6.027 -1.521 -13.148 337 2HH1 ARG 41 HH11 ARG 41 -5.432 -0.120 -13.978 338 1HH2 ARG 41 HH22 ARG 41 -2.603 -1.707 -15.297 339 2HH2 ARG 41 HH21 ARG 41 -3.489 -0.214 -15.186 340 HA PRO 42 HA PRO 42 -5.845 0.207 -7.017 341 1HB PRO 42 HB2 PRO 42 -6.932 2.122 -8.677 342 2HB PRO 42 HB3 PRO 42 -5.258 2.117 -8.113 343 1HG PRO 42 HG2 PRO 42 -6.381 1.196 -10.720 344 2HG PRO 42 HG3 PRO 42 -4.879 2.072 -10.396 345 1HD PRO 42 HD2 PRO 42 -4.909 -0.565 -10.911 346 2HD PRO 42 HD3 PRO 42 -3.748 0.153 -9.777 347 H GLU 43 HN GLU 43 -7.610 -1.009 -9.830 348 HA GLU 43 HA GLU 43 -10.164 -0.155 -8.955 349 1HB GLU 43 HB2 GLU 43 -9.394 -2.384 -10.835 350 2HB GLU 43 HB3 GLU 43 -11.016 -1.772 -10.619 351 1HG GLU 43 HG2 GLU 43 -10.554 -0.430 -12.332 352 2HG GLU 43 HG3 GLU 43 -9.614 0.504 -11.168 353 HA PRO 44 HA PRO 44 -10.798 -4.702 -7.336 354 1HB PRO 44 HB2 PRO 44 -8.495 -6.127 -6.893 355 2HB PRO 44 HB3 PRO 44 -9.474 -6.255 -8.356 356 1HG PRO 44 HG2 PRO 44 -6.981 -4.670 -7.874 357 2HG PRO 44 HG3 PRO 44 -7.440 -5.637 -9.290 358 1HD PRO 44 HD2 PRO 44 -7.676 -2.961 -9.290 359 2HD PRO 44 HD3 PRO 44 -8.851 -3.991 -10.104 360 H VAL 45 HN VAL 45 -8.184 -2.626 -6.368 361 HA VAL 45 HA VAL 45 -8.335 -3.488 -3.592 362 HB VAL 45 HB VAL 45 -6.739 -1.247 -4.860 363 1HG1 VAL 45 HG11 VAL 45 -6.578 -2.356 -2.056 364 2HG1 VAL 45 HG12 VAL 45 -5.525 -1.123 -2.750 365 3HG1 VAL 45 HG13 VAL 45 -7.238 -0.782 -2.503 366 1HG2 VAL 45 HG21 VAL 45 -4.817 -2.729 -4.492 367 2HG2 VAL 45 HG22 VAL 45 -5.906 -3.982 -3.895 368 3HG2 VAL 45 HG23 VAL 45 -6.007 -3.453 -5.574 369 H LYS 46 HN LYS 46 -9.341 -0.808 -5.625 370 HA LYS 46 HA LYS 46 -10.468 0.745 -3.512 371 1HB LYS 46 HB2 LYS 46 -9.819 1.606 -5.790 372 2HB LYS 46 HB3 LYS 46 -11.214 0.764 -6.443 373 1HG LYS 46 HG2 LYS 46 -12.705 2.136 -5.119 374 2HG LYS 46 HG3 LYS 46 -11.326 2.941 -4.367 375 1HD LYS 46 HD2 LYS 46 -10.656 3.864 -6.486 376 2HD LYS 46 HD3 LYS 46 -11.912 2.949 -7.324 377 1HE LYS 46 HE2 LYS 46 -12.335 5.138 -5.296 378 2HE LYS 46 HE3 LYS 46 -12.599 5.249 -7.034 379 1HZ LYS 46 HZ1 LYS 46 -14.261 3.425 -6.762 380 2HZ LYS 46 HZ2 LYS 46 -14.693 4.896 -6.036 381 3HZ LYS 46 HZ3 LYS 46 -14.116 3.618 -5.081 382 H ALA 47 HN ALA 47 -11.507 -1.930 -5.450 383 HA ALA 47 HA ALA 47 -14.293 -1.752 -5.013 384 1HB ALA 47 HB1 ALA 47 -13.277 -3.116 -6.791 385 2HB ALA 47 HB2 ALA 47 -12.649 -4.218 -5.566 386 3HB ALA 47 HB3 ALA 47 -14.391 -4.043 -5.786 387 H ILE 48 HN ILE 48 -11.696 -2.751 -2.993 388 HA ILE 48 HA ILE 48 -13.091 -4.425 -1.198 389 HB ILE 48 HB ILE 48 -10.787 -2.562 -0.571 390 1HG1 ILE 48 HG12 ILE 48 -10.703 -5.472 -1.407 391 2HG1 ILE 48 HG13 ILE 48 -10.375 -4.122 -2.488 392 1HG2 ILE 48 HG21 ILE 48 -11.739 -5.063 0.827 393 2HG2 ILE 48 HG22 ILE 48 -10.302 -4.130 1.247 394 3HG2 ILE 48 HG23 ILE 48 -11.905 -3.412 1.426 395 1HD1 ILE 48 HD11 ILE 48 -8.817 -4.828 -0.019 396 2HD1 ILE 48 HD12 ILE 48 -8.327 -5.132 -1.685 397 3HD1 ILE 48 HD13 ILE 48 -8.483 -3.475 -1.100 398 H CYS 49 HN CYS 49 -12.916 -0.993 -1.654 399 HA CYS 49 HA CYS 49 -14.415 -0.489 0.807 400 1HB CYS 49 HB2 CYS 49 -12.942 1.348 -1.086 401 2HB CYS 49 HB3 CYS 49 -13.828 1.894 0.334 402 H LYS 50 HN LYS 50 -15.322 -1.496 -1.999 403 HA LYS 50 HA LYS 50 -17.017 0.453 -3.108 404 1HB LYS 50 HB2 LYS 50 -16.386 -1.574 -4.326 405 2HB LYS 50 HB3 LYS 50 -17.281 -2.559 -3.176 406 1HG LYS 50 HG2 LYS 50 -19.359 -1.473 -3.862 407 2HG LYS 50 HG3 LYS 50 -18.462 -0.492 -5.023 408 1HD LYS 50 HD2 LYS 50 -19.520 -2.379 -6.132 409 2HD LYS 50 HD3 LYS 50 -17.763 -2.537 -6.186 410 1HE LYS 50 HE2 LYS 50 -17.785 -4.165 -4.442 411 2HE LYS 50 HE3 LYS 50 -19.496 -3.882 -4.122 412 1HZ LYS 50 HZ1 LYS 50 -18.464 -4.922 -6.705 413 2HZ LYS 50 HZ2 LYS 50 -20.078 -4.853 -6.191 414 3HZ LYS 50 HZ3 LYS 50 -18.993 -5.919 -5.441 415 H GLY 51 HN GLY 51 -18.655 1.418 -2.171 416 1HA GLY 51 HA1 GLY 51 -20.884 1.387 -1.393 417 2HA GLY 51 HA2 GLY 51 -20.600 -0.206 -0.711 418 H ILE 52 HN ILE 52 -17.950 1.503 0.144 419 HA ILE 52 HA ILE 52 -19.134 2.117 2.758 420 HB ILE 52 HB ILE 52 -16.186 2.006 2.139 421 1HG1 ILE 52 HG12 ILE 52 -17.126 -0.158 1.512 422 2HG1 ILE 52 HG13 ILE 52 -16.204 -0.311 3.001 423 1HG2 ILE 52 HG21 ILE 52 -17.737 1.689 4.705 424 2HG2 ILE 52 HG22 ILE 52 -15.982 1.617 4.541 425 3HG2 ILE 52 HG23 ILE 52 -16.838 3.123 4.207 426 1HD1 ILE 52 HD11 ILE 52 -18.250 -1.602 3.092 427 2HD1 ILE 52 HD12 ILE 52 -18.279 -0.301 4.284 428 3HD1 ILE 52 HD13 ILE 52 -19.198 -0.147 2.786 429 H ILE 53 HN ILE 53 -19.982 4.136 2.432 430 HA ILE 53 HA ILE 53 -18.440 6.213 1.167 431 HB ILE 53 HB ILE 53 -21.179 6.098 2.396 432 1HG1 ILE 53 HG12 ILE 53 -21.873 6.704 0.111 433 2HG1 ILE 53 HG13 ILE 53 -20.195 6.722 -0.398 434 1HG2 ILE 53 HG21 ILE 53 -20.285 8.261 3.012 435 2HG2 ILE 53 HG22 ILE 53 -19.792 8.556 1.345 436 3HG2 ILE 53 HG23 ILE 53 -21.504 8.446 1.750 437 1HD1 ILE 53 HD11 ILE 53 -21.322 4.696 -1.107 438 2HD1 ILE 53 HD12 ILE 53 -20.041 4.332 0.051 439 3HD1 ILE 53 HD13 ILE 53 -21.729 4.323 0.569 440 H ALA 54 HN ALA 54 -19.706 5.571 4.425 441 HA ALA 54 HA ALA 54 -18.420 7.823 5.616 442 1HB ALA 54 HB1 ALA 54 -20.405 6.805 6.614 443 2HB ALA 54 HB2 ALA 54 -19.502 5.317 6.902 444 3HB ALA 54 HB3 ALA 54 -19.051 6.799 7.745 445 H SER 55 HN SER 55 -16.469 7.978 6.599 446 HA SER 55 HA SER 55 -14.327 6.365 5.958 447 1HB SER 55 HB2 SER 55 -14.707 8.702 7.407 448 2HB SER 55 HB3 SER 55 -14.031 7.586 8.594 449 HG SER 55 HG SER 55 -12.883 8.718 6.333 450 H LYS 56 HN LYS 56 -14.286 4.237 6.300 451 HA LYS 56 HA LYS 56 -14.611 3.248 9.043 452 1HB LYS 56 HB2 LYS 56 -16.771 2.910 7.941 453 2HB LYS 56 HB3 LYS 56 -15.979 2.089 6.605 454 1HG LYS 56 HG2 LYS 56 -15.198 0.366 8.267 455 2HG LYS 56 HG3 LYS 56 -16.266 1.139 9.441 456 1HD LYS 56 HD2 LYS 56 -18.184 0.722 7.994 457 2HD LYS 56 HD3 LYS 56 -17.127 -0.013 6.788 458 1HE LYS 56 HE2 LYS 56 -16.480 -1.718 8.469 459 2HE LYS 56 HE3 LYS 56 -17.655 -1.017 9.582 460 1HZ LYS 56 HZ1 LYS 56 -18.215 -2.326 6.975 461 2HZ LYS 56 HZ2 LYS 56 -19.381 -1.488 7.874 462 3HZ LYS 56 HZ3 LYS 56 -18.652 -2.878 8.520 463 H ASN 57 HN ASN 57 -12.957 1.995 9.582 464 HA ASN 57 HA ASN 57 -11.096 1.076 7.600 465 1HB ASN 57 HB2 ASN 57 -9.937 0.010 9.590 466 2HB ASN 57 HB3 ASN 57 -10.064 1.770 9.600 467 1HD2 ASN 57 HD21 ASN 57 -9.718 -0.221 11.732 468 2HD2 ASN 57 HD22 ASN 57 -10.978 0.100 12.861 469 H VAL 58 HN VAL 58 -11.259 -0.733 6.507 470 HA VAL 58 HA VAL 58 -12.781 -2.944 7.722 471 HB VAL 58 HB VAL 58 -13.637 -3.577 5.576 472 1HG1 VAL 58 HG11 VAL 58 -14.944 -1.922 6.734 473 2HG1 VAL 58 HG12 VAL 58 -13.993 -0.627 6.007 474 3HG1 VAL 58 HG13 VAL 58 -15.024 -1.639 4.995 475 1HG2 VAL 58 HG21 VAL 58 -11.744 -3.035 4.180 476 2HG2 VAL 58 HG22 VAL 58 -13.208 -2.293 3.537 477 3HG2 VAL 58 HG23 VAL 58 -12.037 -1.312 4.419 478 H LEU 59 HN LEU 59 -11.939 -4.958 7.584 479 HA LEU 59 HA LEU 59 -9.205 -5.201 6.583 480 1HB LEU 59 HB2 LEU 59 -9.858 -5.855 8.927 481 2HB LEU 59 HB3 LEU 59 -10.848 -7.114 8.241 482 HG LEU 59 HG LEU 59 -8.535 -7.714 9.190 483 1HD1 LEU 59 HD11 LEU 59 -8.216 -9.463 7.521 484 2HD1 LEU 59 HD12 LEU 59 -9.907 -9.288 7.988 485 3HD1 LEU 59 HD13 LEU 59 -9.344 -8.635 6.449 486 1HD2 LEU 59 HD21 LEU 59 -6.704 -7.572 7.586 487 2HD2 LEU 59 HD22 LEU 59 -7.727 -6.623 6.507 488 3HD2 LEU 59 HD23 LEU 59 -7.268 -5.976 8.083 489 H THR 60 HN THR 60 -8.672 -6.685 4.964 490 HA THR 60 HA THR 60 -10.744 -7.054 3.047 491 HB THR 60 HB THR 60 -8.957 -8.174 1.687 492 HG1 THR 60 HG1 THR 60 -7.321 -8.905 2.799 493 1HG2 THR 60 HG21 THR 60 -8.267 -5.494 2.886 494 2HG2 THR 60 HG22 THR 60 -9.356 -5.774 1.527 495 3HG2 THR 60 HG23 THR 60 -7.637 -6.135 1.369 496 H THR 61 HN THR 61 -11.434 -8.956 2.065 497 HA THR 61 HA THR 61 -12.065 -11.009 3.950 498 HB THR 61 HB THR 61 -13.215 -11.993 1.876 499 HG1 THR 61 HG1 THR 61 -12.736 -11.023 0.052 500 1HG2 THR 61 HG21 THR 61 -13.910 -9.215 2.840 501 2HG2 THR 61 HG22 THR 61 -14.421 -10.734 3.582 502 3HG2 THR 61 HG23 THR 61 -15.013 -10.293 1.979 503 H SER 62 HN SER 62 -9.605 -10.545 1.668 504 HA SER 62 HA SER 62 -8.645 -13.265 2.069 505 1HB SER 62 HB2 SER 62 -8.839 -11.973 -0.664 506 2HB SER 62 HB3 SER 62 -8.118 -13.542 -0.310 507 HG SER 62 HG SER 62 -10.546 -13.562 0.722 508 H GLU 63 HN GLU 63 -6.338 -13.424 1.090 509 HA GLU 63 HA GLU 63 -4.849 -11.109 2.029 510 1HB GLU 63 HB2 GLU 63 -3.767 -13.696 0.901 511 2HB GLU 63 HB3 GLU 63 -2.883 -12.484 1.808 512 1HG GLU 63 HG2 GLU 63 -4.044 -13.004 3.809 513 2HG GLU 63 HG3 GLU 63 -5.177 -14.042 2.949 514 H PHE 64 HN PHE 64 -3.387 -9.954 0.777 515 HA PHE 64 HA PHE 64 -3.614 -10.348 -2.132 516 1HB PHE 64 HB2 PHE 64 -3.362 -7.810 -0.532 517 2HB PHE 64 HB3 PHE 64 -2.993 -7.869 -2.249 518 HD1 PHE 64 HD1 PHE 64 -4.700 -7.821 -3.861 519 HD2 PHE 64 HD2 PHE 64 -5.681 -8.353 0.245 520 HE1 PHE 64 HE1 PHE 64 -7.080 -7.487 -4.391 521 HE2 PHE 64 HE2 PHE 64 -8.062 -8.024 -0.276 522 HZ PHE 64 HZ PHE 64 -8.765 -7.590 -2.598 523 H TYR 65 HN TYR 65 -1.665 -9.495 -3.299 524 HA TYR 65 HA TYR 65 0.648 -10.712 -2.053 525 1HB TYR 65 HB2 TYR 65 0.381 -9.516 -4.822 526 2HB TYR 65 HB3 TYR 65 1.678 -10.563 -4.248 527 HD1 TYR 65 HD1 TYR 65 -1.621 -10.427 -5.675 528 HD2 TYR 65 HD2 TYR 65 1.134 -12.947 -3.641 529 HE1 TYR 65 HE1 TYR 65 -2.910 -12.396 -6.385 530 HE2 TYR 65 HE2 TYR 65 -0.143 -14.926 -4.344 531 HH TYR 65 HH TYR 65 -2.602 -14.772 -6.730 532 H LEU 66 HN LEU 66 1.663 -9.445 -0.653 533 HA LEU 66 HA LEU 66 1.782 -6.573 -1.213 534 1HB LEU 66 HB2 LEU 66 2.335 -8.036 1.364 535 2HB LEU 66 HB3 LEU 66 2.240 -6.298 1.155 536 HG LEU 66 HG LEU 66 -0.039 -8.236 0.799 537 1HD1 LEU 66 HD11 LEU 66 -0.944 -7.164 2.816 538 2HD1 LEU 66 HD12 LEU 66 0.579 -8.001 3.125 539 3HD1 LEU 66 HD13 LEU 66 0.551 -6.244 2.976 540 1HD2 LEU 66 HD21 LEU 66 0.020 -5.226 0.644 541 2HD2 LEU 66 HD22 LEU 66 -0.269 -6.339 -0.693 542 3HD2 LEU 66 HD23 LEU 66 -1.435 -6.223 0.624 543 H SER 67 HN SER 67 3.664 -5.464 -1.263 544 HA SER 67 HA SER 67 6.143 -6.966 -0.770 545 1HB SER 67 HB2 SER 67 5.759 -4.875 -2.933 546 2HB SER 67 HB3 SER 67 7.242 -5.759 -2.587 547 HG SER 67 HG SER 67 6.443 -6.999 -4.117 548 H ASP 68 HN ASP 68 6.957 -6.151 1.000 549 HA ASP 68 HA ASP 68 6.335 -3.373 1.708 550 1HB ASP 68 HB2 ASP 68 5.632 -5.111 3.308 551 2HB ASP 68 HB3 ASP 68 7.300 -5.660 3.438 552 H CYS 69 HN CYS 69 7.878 -1.937 1.414 553 HA CYS 69 HA CYS 69 10.664 -2.810 1.371 554 1HB CYS 69 HB2 CYS 69 9.368 -0.148 0.753 555 2HB CYS 69 HB3 CYS 69 11.092 -0.464 0.625 556 H ASN 70 HN ASN 70 11.745 -2.794 3.228 557 HA ASN 70 HA ASN 70 11.072 -0.733 5.223 558 1HB ASN 70 HB2 ASN 70 11.664 -2.440 6.983 559 2HB ASN 70 HB3 ASN 70 10.180 -2.773 6.099 560 1HD2 ASN 70 HD21 ASN 70 10.095 -4.490 4.688 561 2HD2 ASN 70 HD22 ASN 70 11.294 -5.739 4.673 562 H VAL 71 HN VAL 71 12.766 0.102 6.425 563 HA VAL 71 HA VAL 71 15.198 0.277 4.962 564 HB VAL 71 HB VAL 71 14.131 2.113 6.349 565 1HG1 VAL 71 HG11 VAL 71 14.799 2.251 8.705 566 2HG1 VAL 71 HG12 VAL 71 13.718 0.893 8.390 567 3HG1 VAL 71 HG13 VAL 71 15.447 0.614 8.604 568 1HG2 VAL 71 HG21 VAL 71 17.055 1.523 6.770 569 2HG2 VAL 71 HG22 VAL 71 16.338 2.357 5.391 570 3HG2 VAL 71 HG23 VAL 71 16.283 3.096 6.992 571 H THR 72 HN THR 72 17.198 -0.449 5.422 572 HA THR 72 HA THR 72 17.338 -2.829 7.082 573 HB THR 72 HB THR 72 19.651 -3.010 6.077 574 HG1 THR 72 HG1 THR 72 18.725 -0.872 4.419 575 1HG2 THR 72 HG21 THR 72 18.859 -3.717 3.882 576 2HG2 THR 72 HG22 THR 72 17.361 -2.817 4.119 577 3HG2 THR 72 HG23 THR 72 17.725 -4.209 5.140 578 H SER 73 HN SER 73 20.354 -2.129 7.190 579 HA SER 73 HA SER 73 20.237 -0.787 9.762 580 1HB SER 73 HB2 SER 73 22.710 -1.295 9.785 581 2HB SER 73 HB3 SER 73 21.671 -2.714 9.660 582 HG SER 73 HG SER 73 23.571 -2.503 8.166 583 H ARG 74 HN ARG 74 20.583 0.017 6.539 584 HA ARG 74 HA ARG 74 22.051 2.482 7.177 585 1HB ARG 74 HB2 ARG 74 21.910 0.881 4.626 586 2HB ARG 74 HB3 ARG 74 22.536 2.525 4.685 587 1HG ARG 74 HG2 ARG 74 24.333 1.909 6.056 588 2HG ARG 74 HG3 ARG 74 23.613 0.346 6.438 589 1HD ARG 74 HD2 ARG 74 25.379 -0.026 4.883 590 2HD ARG 74 HD3 ARG 74 23.855 -0.272 4.033 591 HE ARG 74 HE ARG 74 24.634 2.384 3.639 592 1HH1 ARG 74 HH12 ARG 74 25.714 -0.844 2.820 593 2HH1 ARG 74 HH11 ARG 74 26.545 -0.346 1.378 594 1HH2 ARG 74 HH22 ARG 74 25.753 3.039 1.720 595 2HH2 ARG 74 HH21 ARG 74 26.560 1.836 0.757 596 HA PRO 75 HA PRO 75 18.298 4.691 6.590 597 1HB PRO 75 HB2 PRO 75 20.101 6.882 5.737 598 2HB PRO 75 HB3 PRO 75 18.902 6.854 7.033 599 1HG PRO 75 HG2 PRO 75 21.530 6.772 7.552 600 2HG PRO 75 HG3 PRO 75 20.355 5.884 8.538 601 1HD PRO 75 HD2 PRO 75 22.236 4.869 6.456 602 2HD PRO 75 HD3 PRO 75 21.690 4.101 7.958 603 H CYS 76 HN CYS 76 16.955 4.870 4.915 604 HA CYS 76 HA CYS 76 16.118 5.216 2.834 605 1HB CYS 76 HB2 CYS 76 17.690 7.231 3.004 606 2HB CYS 76 HB3 CYS 76 18.802 6.314 2.001 607 H LYS 77 HN LYS 77 18.374 2.998 3.564 608 HA LYS 77 HA LYS 77 18.247 1.781 0.885 609 1HB LYS 77 HB2 LYS 77 20.534 1.892 1.639 610 2HB LYS 77 HB3 LYS 77 20.106 1.215 3.206 611 1HG LYS 77 HG2 LYS 77 21.213 -0.422 1.770 612 2HG LYS 77 HG3 LYS 77 19.566 -0.911 2.173 613 1HD LYS 77 HD2 LYS 77 18.874 0.114 -0.048 614 2HD LYS 77 HD3 LYS 77 20.594 0.204 -0.430 615 1HE LYS 77 HE2 LYS 77 20.780 -2.223 -0.101 616 2HE LYS 77 HE3 LYS 77 19.054 -2.299 0.247 617 1HZ LYS 77 HZ1 LYS 77 19.394 -2.916 -2.016 618 2HZ LYS 77 HZ2 LYS 77 20.329 -1.536 -2.321 619 3HZ LYS 77 HZ3 LYS 77 18.672 -1.380 -2.019 620 H TYR 78 HN TYR 78 17.050 -0.028 0.609 621 HA TYR 78 HA TYR 78 15.533 -0.846 2.989 622 1HB TYR 78 HB2 TYR 78 14.599 -0.403 0.160 623 2HB TYR 78 HB3 TYR 78 13.616 -1.174 1.406 624 HD1 TYR 78 HD1 TYR 78 12.737 0.095 3.258 625 HD2 TYR 78 HD2 TYR 78 15.077 1.973 0.245 626 HE1 TYR 78 HE1 TYR 78 11.973 2.287 4.044 627 HE2 TYR 78 HE2 TYR 78 14.319 4.177 1.026 628 HH TYR 78 HH TYR 78 12.725 4.616 3.978 629 H LYS 79 HN LYS 79 14.620 -2.865 3.062 630 HA LYS 79 HA LYS 79 15.766 -4.925 1.293 631 1HB LYS 79 HB2 LYS 79 16.352 -5.310 3.615 632 2HB LYS 79 HB3 LYS 79 14.688 -5.065 4.124 633 1HG LYS 79 HG2 LYS 79 15.086 -7.389 4.200 634 2HG LYS 79 HG3 LYS 79 14.088 -7.099 2.774 635 1HD LYS 79 HD2 LYS 79 15.828 -8.671 2.215 636 2HD LYS 79 HD3 LYS 79 16.138 -7.147 1.384 637 1HE LYS 79 HE2 LYS 79 17.814 -6.546 3.000 638 2HE LYS 79 HE3 LYS 79 17.433 -7.962 3.981 639 1HZ LYS 79 HZ1 LYS 79 18.537 -8.029 1.222 640 2HZ LYS 79 HZ2 LYS 79 18.205 -9.378 2.193 641 3HZ LYS 79 HZ3 LYS 79 19.426 -8.293 2.642 642 H LEU 80 HN LEU 80 14.341 -5.913 -0.052 643 HA LEU 80 HA LEU 80 11.578 -5.111 -0.008 644 1HB LEU 80 HB2 LEU 80 13.364 -6.180 -1.924 645 2HB LEU 80 HB3 LEU 80 12.061 -7.327 -1.763 646 HG LEU 80 HG LEU 80 11.705 -4.424 -2.393 647 1HD1 LEU 80 HD11 LEU 80 11.519 -6.828 -4.194 648 2HD1 LEU 80 HD12 LEU 80 11.176 -5.158 -4.649 649 3HD1 LEU 80 HD13 LEU 80 12.816 -5.632 -4.205 650 1HD2 LEU 80 HD21 LEU 80 9.736 -6.697 -2.401 651 2HD2 LEU 80 HD22 LEU 80 9.795 -5.384 -1.226 652 3HD2 LEU 80 HD23 LEU 80 9.402 -5.041 -2.911 653 H LYS 81 HN LYS 81 9.849 -6.249 0.684 654 HA LYS 81 HA LYS 81 10.310 -8.981 1.686 655 1HB LYS 81 HB2 LYS 81 10.210 -7.397 3.568 656 2HB LYS 81 HB3 LYS 81 8.665 -6.798 2.989 657 1HG LYS 81 HG2 LYS 81 7.549 -8.771 3.578 658 2HG LYS 81 HG3 LYS 81 9.054 -9.677 3.743 659 1HD LYS 81 HD2 LYS 81 8.157 -9.173 5.936 660 2HD LYS 81 HD3 LYS 81 9.655 -8.276 5.684 661 1HE LYS 81 HE2 LYS 81 8.264 -6.684 6.627 662 2HE LYS 81 HE3 LYS 81 8.096 -6.366 4.902 663 1HZ LYS 81 HZ1 LYS 81 6.194 -7.886 6.607 664 2HZ LYS 81 HZ2 LYS 81 6.042 -7.690 4.934 665 3HZ LYS 81 HZ3 LYS 81 5.948 -6.341 5.953 666 H LYS 82 HN LYS 82 9.336 -10.118 0.144 667 HA LYS 82 HA LYS 82 6.736 -9.282 -0.882 668 1HB LYS 82 HB2 LYS 82 8.541 -11.577 -1.675 669 2HB LYS 82 HB3 LYS 82 7.076 -11.085 -2.518 670 1HG LYS 82 HG2 LYS 82 8.046 -9.019 -3.176 671 2HG LYS 82 HG3 LYS 82 9.445 -9.273 -2.131 672 1HD LYS 82 HD2 LYS 82 10.132 -11.168 -3.490 673 2HD LYS 82 HD3 LYS 82 8.708 -10.968 -4.509 674 1HE LYS 82 HE2 LYS 82 9.495 -8.778 -5.213 675 2HE LYS 82 HE3 LYS 82 10.885 -8.916 -4.137 676 1HZ LYS 82 HZ1 LYS 82 11.460 -9.432 -6.428 677 2HZ LYS 82 HZ2 LYS 82 10.319 -10.692 -6.450 678 3HZ LYS 82 HZ3 LYS 82 11.669 -10.790 -5.430 679 H SER 83 HN SER 83 4.929 -10.034 -0.036 680 HA SER 83 HA SER 83 4.854 -12.683 1.180 681 1HB SER 83 HB2 SER 83 5.573 -11.000 2.929 682 2HB SER 83 HB3 SER 83 4.017 -10.206 2.709 683 HG SER 83 HG SER 83 3.968 -12.949 3.214 684 H THR 84 HN THR 84 2.520 -13.085 1.993 685 HA THR 84 HA THR 84 0.551 -11.612 0.366 686 HB THR 84 HB THR 84 0.274 -14.568 0.888 687 HG1 THR 84 HG1 THR 84 2.165 -14.482 -0.283 688 1HG2 THR 84 HG21 THR 84 -1.716 -13.370 0.155 689 2HG2 THR 84 HG22 THR 84 -1.151 -14.451 -1.121 690 3HG2 THR 84 HG23 THR 84 -0.836 -12.719 -1.228 691 H ASN 85 HN ASN 85 -0.796 -10.636 1.761 692 HA ASN 85 HA ASN 85 -1.965 -12.104 3.952 693 1HB ASN 85 HB2 ASN 85 0.308 -10.838 4.677 694 2HB ASN 85 HB3 ASN 85 -0.843 -9.526 4.830 695 1HD2 ASN 85 HD21 ASN 85 0.633 -10.851 6.923 696 2HD2 ASN 85 HD22 ASN 85 -0.540 -11.519 8.008 697 H LYS 86 HN LYS 86 -3.691 -10.885 4.989 698 HA LYS 86 HA LYS 86 -5.129 -9.210 3.167 699 1HB LYS 86 HB2 LYS 86 -5.753 -9.602 6.087 700 2HB LYS 86 HB3 LYS 86 -6.871 -9.295 4.765 701 1HG LYS 86 HG2 LYS 86 -6.325 -11.537 3.853 702 2HG LYS 86 HG3 LYS 86 -5.343 -11.832 5.289 703 1HD LYS 86 HD2 LYS 86 -7.378 -11.381 6.663 704 2HD LYS 86 HD3 LYS 86 -8.296 -11.323 5.167 705 1HE LYS 86 HE2 LYS 86 -7.797 -13.594 4.669 706 2HE LYS 86 HE3 LYS 86 -6.619 -13.681 5.976 707 1HZ LYS 86 HZ1 LYS 86 -8.703 -14.755 6.568 708 2HZ LYS 86 HZ2 LYS 86 -9.546 -13.309 6.321 709 3HZ LYS 86 HZ3 LYS 86 -8.406 -13.423 7.570 710 H PHE 87 HN PHE 87 -6.069 -7.070 4.141 711 HA PHE 87 HA PHE 87 -4.400 -5.788 6.094 712 1HB PHE 87 HB2 PHE 87 -3.793 -3.859 4.617 713 2HB PHE 87 HB3 PHE 87 -2.960 -5.363 4.246 714 HD1 PHE 87 HD1 PHE 87 -2.992 -6.223 2.090 715 HD2 PHE 87 HD2 PHE 87 -5.813 -3.228 3.173 716 HE1 PHE 87 HE1 PHE 87 -3.675 -6.016 -0.262 717 HE2 PHE 87 HE2 PHE 87 -6.507 -3.028 0.820 718 HZ PHE 87 HZ PHE 87 -5.433 -4.425 -0.902 719 H CYS 88 HN CYS 88 -5.246 -3.842 6.886 720 HA CYS 88 HA CYS 88 -8.093 -3.519 6.283 721 1HB CYS 88 HB2 CYS 88 -7.591 -3.809 8.635 722 2HB CYS 88 HB3 CYS 88 -6.411 -2.499 8.585 723 H VAL 89 HN VAL 89 -8.680 -1.931 4.988 724 HA VAL 89 HA VAL 89 -6.969 0.453 4.801 725 HB VAL 89 HB VAL 89 -8.243 0.884 2.633 726 1HG1 VAL 89 HG11 VAL 89 -6.798 -0.622 1.335 727 2HG1 VAL 89 HG12 VAL 89 -5.927 0.153 2.658 728 3HG1 VAL 89 HG13 VAL 89 -6.440 -1.528 2.805 729 1HG2 VAL 89 HG21 VAL 89 -10.088 -0.670 2.978 730 2HG2 VAL 89 HG22 VAL 89 -9.198 -1.095 1.515 731 3HG2 VAL 89 HG23 VAL 89 -8.963 -2.028 2.994 732 H THR 90 HN THR 90 -7.847 2.426 5.229 733 HA THR 90 HA THR 90 -10.442 2.446 6.484 734 HB THR 90 HB THR 90 -8.661 4.810 5.857 735 HG1 THR 90 HG1 THR 90 -8.267 2.780 7.553 736 1HG2 THR 90 HG21 THR 90 -9.874 5.879 7.708 737 2HG2 THR 90 HG22 THR 90 -10.875 4.438 7.881 738 3HG2 THR 90 HG23 THR 90 -10.970 5.406 6.410 739 H CYS 91 HN CYS 91 -12.155 2.362 5.158 740 HA CYS 91 HA CYS 91 -11.961 3.428 2.466 741 1HB CYS 91 HB2 CYS 91 -14.199 1.958 3.859 742 2HB CYS 91 HB3 CYS 91 -14.100 2.295 2.132 743 H GLU 92 HN GLU 92 -12.731 5.322 1.823 744 HA GLU 92 HA GLU 92 -15.070 6.429 3.179 745 1HB GLU 92 HB2 GLU 92 -12.821 7.447 4.022 746 2HB GLU 92 HB3 GLU 92 -12.798 8.258 2.463 747 1HG GLU 92 HG2 GLU 92 -15.034 9.196 2.978 748 2HG GLU 92 HG3 GLU 92 -14.916 8.483 4.584 749 H ASN 93 HN ASN 93 -16.506 7.208 1.769 750 HA ASN 93 HA ASN 93 -17.543 7.662 -0.207 751 1HB ASN 93 HB2 ASN 93 -14.851 8.795 -1.019 752 2HB ASN 93 HB3 ASN 93 -16.392 9.132 -1.799 753 1HD2 ASN 93 HD21 ASN 93 -14.290 9.869 0.797 754 2HD2 ASN 93 HD22 ASN 93 -15.240 11.131 1.505 755 H GLN 94 HN GLN 94 -16.354 5.102 0.139 756 HA GLN 94 HA GLN 94 -16.129 3.168 -1.001 757 1HB GLN 94 HB2 GLN 94 -16.909 4.827 -3.400 758 2HB GLN 94 HB3 GLN 94 -16.841 3.070 -3.355 759 1HG GLN 94 HG2 GLN 94 -18.527 3.163 -1.492 760 2HG GLN 94 HG3 GLN 94 -18.697 4.879 -1.843 761 1HE2 GLN 94 HE21 GLN 94 -18.078 2.566 -4.345 762 2HE2 GLN 94 HE22 GLN 94 -19.646 2.634 -5.076 763 H ALA 95 HN ALA 95 -13.891 4.982 -0.643 764 HA ALA 95 HA ALA 95 -12.074 3.586 -2.440 765 1HB ALA 95 HB1 ALA 95 -10.839 5.624 -2.989 766 2HB ALA 95 HB2 ALA 95 -12.504 5.708 -3.568 767 3HB ALA 95 HB3 ALA 95 -12.030 6.585 -2.113 768 HA PRO 96 HA PRO 96 -9.746 3.217 1.391 769 1HB PRO 96 HB2 PRO 96 -7.507 2.768 -0.485 770 2HB PRO 96 HB3 PRO 96 -8.087 1.752 0.838 771 1HG PRO 96 HG2 PRO 96 -8.514 1.113 -1.737 772 2HG PRO 96 HG3 PRO 96 -9.692 0.739 -0.470 773 1HD PRO 96 HD2 PRO 96 -9.753 2.869 -2.541 774 2HD PRO 96 HD3 PRO 96 -11.089 1.953 -1.821 775 H VAL 97 HN VAL 97 -9.307 5.125 2.362 776 HA VAL 97 HA VAL 97 -7.719 7.096 0.872 777 HB VAL 97 HB VAL 97 -8.591 8.787 2.444 778 1HG1 VAL 97 HG11 VAL 97 -9.756 8.461 0.355 779 2HG1 VAL 97 HG12 VAL 97 -10.685 7.129 1.045 780 3HG1 VAL 97 HG13 VAL 97 -10.929 8.771 1.637 781 1HG2 VAL 97 HG21 VAL 97 -10.473 8.195 3.923 782 2HG2 VAL 97 HG22 VAL 97 -10.214 6.494 3.533 783 3HG2 VAL 97 HG23 VAL 97 -8.967 7.401 4.387 784 H HIS 98 HN HIS 98 -7.828 5.292 3.865 785 HA HIS 98 HA HIS 98 -5.112 6.260 4.456 786 1HB HIS 98 HB2 HIS 98 -7.414 5.912 6.373 787 2HB HIS 98 HB3 HIS 98 -5.746 5.863 6.925 788 HD1 HIS 98 HD1 HIS 98 -5.165 8.013 7.971 789 HD2 HIS 98 HD2 HIS 98 -7.671 8.527 4.686 790 HE1 HIS 98 HE1 HIS 98 -5.500 10.498 7.749 791 HE2 HIS 98 HE2 HIS 98 -7.174 10.770 5.881 792 H PHE 99 HN PHE 99 -3.679 4.709 5.226 793 HA PHE 99 HA PHE 99 -4.624 1.948 4.935 794 1HB PHE 99 HB2 PHE 99 -2.591 2.773 3.649 795 2HB PHE 99 HB3 PHE 99 -1.758 2.874 5.197 796 HD1 PHE 99 HD1 PHE 99 -0.659 1.007 6.048 797 HD2 PHE 99 HD2 PHE 99 -3.598 0.510 3.012 798 HE1 PHE 99 HE1 PHE 99 -0.069 -1.376 5.873 799 HE2 PHE 99 HE2 PHE 99 -3.017 -1.872 2.829 800 HZ PHE 99 HZ PHE 99 -1.250 -2.819 4.261 801 H VAL 100 HN VAL 100 -4.778 0.612 6.642 802 HA VAL 100 HA VAL 100 -4.188 1.762 9.263 803 HB VAL 100 HB VAL 100 -5.834 -0.664 8.518 804 1HG1 VAL 100 HG11 VAL 100 -4.891 -0.939 10.722 805 2HG1 VAL 100 HG12 VAL 100 -5.432 0.676 11.190 806 3HG1 VAL 100 HG13 VAL 100 -6.615 -0.590 10.852 807 1HG2 VAL 100 HG21 VAL 100 -7.756 0.747 9.181 808 2HG2 VAL 100 HG22 VAL 100 -6.659 2.114 9.371 809 3HG2 VAL 100 HG23 VAL 100 -6.898 1.388 7.781 810 H GLY 101 HN GLY 101 -4.014 -1.527 7.876 811 1HA GLY 101 HA1 GLY 101 -1.272 -1.921 8.268 812 2HA GLY 101 HA2 GLY 101 -2.099 -2.482 9.716 813 H VAL 102 HN VAL 102 -0.792 -4.420 8.501 814 HA VAL 102 HA VAL 102 -2.692 -5.675 6.643 815 HB VAL 102 HB VAL 102 -1.030 -6.892 5.671 816 1HG1 VAL 102 HG11 VAL 102 0.917 -5.453 5.279 817 2HG1 VAL 102 HG12 VAL 102 -0.610 -4.572 5.205 818 3HG1 VAL 102 HG13 VAL 102 0.416 -4.440 6.633 819 1HG2 VAL 102 HG21 VAL 102 -0.224 -8.001 7.692 820 2HG2 VAL 102 HG22 VAL 102 1.106 -7.512 6.644 821 3HG2 VAL 102 HG23 VAL 102 0.733 -6.574 8.093 822 H GLY 103 HN GLY 103 -3.151 -7.930 6.850 823 1HA GLY 103 HA1 GLY 103 -3.366 -9.930 8.070 824 2HA GLY 103 HA2 GLY 103 -2.697 -9.123 9.482 825 H SER 104 HN SER 104 -4.135 -7.257 10.272 826 HA SER 104 HA SER 104 -6.974 -7.665 9.899 827 1HB SER 104 HB2 SER 104 -7.283 -7.922 12.417 828 2HB SER 104 HB3 SER 104 -6.660 -9.335 11.569 829 HG SER 104 HG SER 104 -4.578 -7.878 12.284 830 H CYS 105 HN CYS 105 -8.194 -6.097 11.400 831 HA CYS 105 HA CYS 105 -6.704 -3.565 11.316 832 1HB CYS 105 HB2 CYS 105 -8.935 -4.012 10.009 833 2HB CYS 105 HB3 CYS 105 -9.683 -3.713 11.573 Start of MODEL 2 1 1H MET 1 H1 MET 1 -6.628 16.377 4.603 2 2H MET 1 H2 MET 1 -6.446 14.692 4.536 3 3H MET 1 H3 MET 1 -7.335 15.491 3.340 4 HA MET 1 HA MET 1 -5.361 16.634 2.582 5 1HB MET 1 HB2 MET 1 -4.142 16.713 4.688 6 2HB MET 1 HB3 MET 1 -4.001 14.961 4.706 7 1HG MET 1 HG2 MET 1 -2.649 15.078 2.652 8 2HG MET 1 HG3 MET 1 -2.739 16.836 2.719 9 1HE MET 1 HE1 MET 1 -0.007 15.150 2.564 10 2HE MET 1 HE2 MET 1 -0.072 16.912 2.588 11 3HE MET 1 HE3 MET 1 0.985 16.051 3.709 12 H GLN 2 HN GLN 2 -5.274 13.244 3.705 13 HA GLN 2 HA GLN 2 -4.171 12.424 1.149 14 1HB GLN 2 HB2 GLN 2 -4.802 10.890 3.668 15 2HB GLN 2 HB3 GLN 2 -4.171 10.145 2.206 16 1HG GLN 2 HG2 GLN 2 -2.195 11.609 2.352 17 2HG GLN 2 HG3 GLN 2 -2.815 12.247 3.874 18 1HE2 GLN 2 HE21 GLN 2 -2.779 10.967 5.707 19 2HE2 GLN 2 HE22 GLN 2 -1.848 9.501 5.791 20 H ASP 3 HN ASP 3 -5.161 11.207 -0.348 21 HA ASP 3 HA ASP 3 -7.918 10.354 0.094 22 1HB ASP 3 HB2 ASP 3 -8.569 11.258 -2.136 23 2HB ASP 3 HB3 ASP 3 -8.191 12.506 -0.957 24 H TRP 4 HN TRP 4 -8.562 9.355 -2.270 25 HA TRP 4 HA TRP 4 -7.191 6.927 -2.388 26 1HB TRP 4 HB2 TRP 4 -9.485 7.067 -3.078 27 2HB TRP 4 HB3 TRP 4 -9.097 8.249 -4.320 28 HD1 TRP 4 HD1 TRP 4 -9.281 7.193 -6.617 29 HE1 TRP 4 HE1 TRP 4 -8.727 4.907 -7.671 30 HE3 TRP 4 HE3 TRP 4 -7.572 4.776 -2.448 31 HZ2 TRP 4 HZ2 TRP 4 -7.700 2.423 -6.832 32 HZ3 TRP 4 HZ3 TRP 4 -6.834 2.440 -2.660 33 HH2 TRP 4 HH2 TRP 4 -6.889 1.294 -4.810 34 H LEU 5 HN LEU 5 -6.859 9.851 -4.335 35 HA LEU 5 HA LEU 5 -5.232 8.740 -6.356 36 1HB LEU 5 HB2 LEU 5 -5.385 11.588 -5.357 37 2HB LEU 5 HB3 LEU 5 -4.570 11.087 -6.824 38 HG LEU 5 HG LEU 5 -6.624 12.002 -7.509 39 1HD1 LEU 5 HD11 LEU 5 -6.958 9.013 -7.453 40 2HD1 LEU 5 HD12 LEU 5 -7.809 10.130 -8.521 41 3HD1 LEU 5 HD13 LEU 5 -6.063 9.941 -8.656 42 1HD2 LEU 5 HD21 LEU 5 -8.792 11.362 -6.619 43 2HD2 LEU 5 HD22 LEU 5 -8.012 10.265 -5.478 44 3HD2 LEU 5 HD23 LEU 5 -7.753 12.004 -5.346 45 H THR 6 HN THR 6 -4.527 10.319 -3.298 46 HA THR 6 HA THR 6 -1.688 10.231 -3.575 47 HB THR 6 HB THR 6 -3.283 10.431 -1.019 48 HG1 THR 6 HG1 THR 6 -4.042 12.020 -2.433 49 1HG2 THR 6 HG21 THR 6 -0.551 11.481 -1.773 50 2HG2 THR 6 HG22 THR 6 -0.868 10.095 -0.728 51 3HG2 THR 6 HG23 THR 6 -1.357 11.713 -0.220 52 H PHE 7 HN PHE 7 -4.111 8.193 -2.026 53 HA PHE 7 HA PHE 7 -2.414 6.410 -0.683 54 1HB PHE 7 HB2 PHE 7 -4.871 6.587 -0.340 55 2HB PHE 7 HB3 PHE 7 -5.129 5.863 -1.922 56 HD1 PHE 7 HD1 PHE 7 -4.410 5.261 1.569 57 HD2 PHE 7 HD2 PHE 7 -4.480 3.508 -2.308 58 HE1 PHE 7 HE1 PHE 7 -4.370 3.021 2.587 59 HE2 PHE 7 HE2 PHE 7 -4.453 1.265 -1.297 60 HZ PHE 7 HZ PHE 7 -4.418 1.036 1.189 61 H GLN 8 HN GLN 8 -3.779 6.331 -3.947 62 HA GLN 8 HA GLN 8 -2.985 3.857 -4.829 63 1HB GLN 8 HB2 GLN 8 -3.364 6.498 -6.137 64 2HB GLN 8 HB3 GLN 8 -2.621 5.201 -7.050 65 1HG GLN 8 HG2 GLN 8 -4.582 3.793 -6.625 66 2HG GLN 8 HG3 GLN 8 -5.325 5.126 -5.738 67 1HE2 GLN 8 HE21 GLN 8 -6.027 6.942 -6.870 68 2HE2 GLN 8 HE22 GLN 8 -6.273 6.921 -8.581 69 H LYS 9 HN LYS 9 -1.182 6.879 -5.291 70 HA LYS 9 HA LYS 9 1.019 5.915 -6.618 71 1HB LYS 9 HB2 LYS 9 1.000 8.079 -4.510 72 2HB LYS 9 HB3 LYS 9 2.202 7.879 -5.775 73 1HG LYS 9 HG2 LYS 9 0.686 8.516 -7.458 74 2HG LYS 9 HG3 LYS 9 -0.699 8.367 -6.369 75 1HD LYS 9 HD2 LYS 9 0.085 10.232 -5.058 76 2HD LYS 9 HD3 LYS 9 1.551 10.345 -6.033 77 1HE LYS 9 HE2 LYS 9 0.191 10.887 -7.997 78 2HE LYS 9 HE3 LYS 9 -1.269 10.784 -7.011 79 1HZ LYS 9 HZ1 LYS 9 -0.553 12.637 -5.719 80 2HZ LYS 9 HZ2 LYS 9 -0.436 13.078 -7.353 81 3HZ LYS 9 HZ3 LYS 9 0.961 12.671 -6.482 82 H LYS 10 HN LYS 10 0.319 5.860 -3.205 83 HA LYS 10 HA LYS 10 3.063 5.125 -2.564 84 1HB LYS 10 HB2 LYS 10 0.726 5.892 -0.830 85 2HB LYS 10 HB3 LYS 10 2.291 5.404 -0.192 86 1HG LYS 10 HG2 LYS 10 3.331 7.256 -1.479 87 2HG LYS 10 HG3 LYS 10 1.712 7.782 -1.943 88 1HD LYS 10 HD2 LYS 10 2.609 7.483 0.913 89 2HD LYS 10 HD3 LYS 10 2.725 8.993 0.012 90 1HE LYS 10 HE2 LYS 10 0.295 8.946 -0.345 91 2HE LYS 10 HE3 LYS 10 0.198 7.456 0.595 92 1HZ LYS 10 HZ1 LYS 10 -0.346 9.408 1.930 93 2HZ LYS 10 HZ2 LYS 10 1.181 10.071 1.616 94 3HZ LYS 10 HZ3 LYS 10 1.042 8.635 2.515 95 H HIS 11 HN HIS 11 0.095 3.455 -3.026 96 HA HIS 11 HA HIS 11 1.288 1.165 -1.606 97 1HB HIS 11 HB2 HIS 11 -1.575 2.084 -1.376 98 2HB HIS 11 HB3 HIS 11 -1.015 0.500 -0.845 99 HD1 HIS 11 HD1 HIS 11 1.025 0.655 1.023 100 HD2 HIS 11 HD2 HIS 11 -1.409 3.996 0.520 101 HE1 HIS 11 HE1 HIS 11 1.340 2.046 3.094 102 HE2 HIS 11 HE2 HIS 11 -0.265 3.977 2.842 103 H ILE 12 HN ILE 12 -0.169 2.283 -4.451 104 HA ILE 12 HA ILE 12 -0.972 -0.433 -5.219 105 HB ILE 12 HB ILE 12 -1.464 2.185 -6.661 106 1HG1 ILE 12 HG12 ILE 12 -2.720 2.062 -4.579 107 2HG1 ILE 12 HG13 ILE 12 -3.805 1.890 -5.949 108 1HG2 ILE 12 HG21 ILE 12 -3.014 0.910 -8.054 109 2HG2 ILE 12 HG22 ILE 12 -1.365 0.297 -8.196 110 3HG2 ILE 12 HG23 ILE 12 -2.550 -0.571 -7.218 111 1HD1 ILE 12 HD11 ILE 12 -2.776 -0.347 -4.222 112 2HD1 ILE 12 HD12 ILE 12 -4.389 0.365 -4.156 113 3HD1 ILE 12 HD13 ILE 12 -3.873 -0.519 -5.593 114 H THR 13 HN THR 13 0.770 -1.540 -5.901 115 HA THR 13 HA THR 13 2.428 -0.247 -7.960 116 HB THR 13 HB THR 13 3.728 -0.788 -5.890 117 HG1 THR 13 HG1 THR 13 5.435 -1.563 -7.063 118 1HG2 THR 13 HG21 THR 13 3.054 -3.637 -6.637 119 2HG2 THR 13 HG22 THR 13 2.604 -2.798 -5.151 120 3HG2 THR 13 HG23 THR 13 4.300 -3.166 -5.480 121 H ASN 14 HN ASN 14 3.118 -1.571 -9.689 122 HA ASN 14 HA ASN 14 1.190 -3.714 -10.281 123 1HB ASN 14 HB2 ASN 14 1.699 -3.162 -12.684 124 2HB ASN 14 HB3 ASN 14 0.917 -1.864 -11.788 125 1HD2 ASN 14 HD21 ASN 14 3.840 -2.930 -13.328 126 2HD2 ASN 14 HD22 ASN 14 4.653 -1.404 -13.282 127 H THR 15 HN THR 15 3.976 -3.692 -8.992 128 HA THR 15 HA THR 15 4.970 -5.963 -10.536 129 HB THR 15 HB THR 15 6.284 -4.027 -11.291 130 HG1 THR 15 HG1 THR 15 8.234 -5.016 -11.062 131 1HG2 THR 15 HG21 THR 15 6.096 -2.612 -9.312 132 2HG2 THR 15 HG22 THR 15 7.787 -2.856 -9.749 133 3HG2 THR 15 HG23 THR 15 7.090 -3.745 -8.395 134 H ARG 16 HN ARG 16 5.863 -7.577 -9.285 135 HA ARG 16 HA ARG 16 5.271 -7.547 -6.487 136 1HB ARG 16 HB2 ARG 16 6.678 -9.527 -8.278 137 2HB ARG 16 HB3 ARG 16 6.507 -9.783 -6.546 138 1HG ARG 16 HG2 ARG 16 4.184 -9.326 -8.397 139 2HG ARG 16 HG3 ARG 16 4.797 -10.923 -7.957 140 1HD ARG 16 HD2 ARG 16 3.902 -8.861 -5.951 141 2HD ARG 16 HD3 ARG 16 2.843 -10.114 -6.599 142 HE ARG 16 HE ARG 16 4.685 -11.672 -5.677 143 1HH1 ARG 16 HH12 ARG 16 3.748 -8.640 -4.198 144 2HH1 ARG 16 HH11 ARG 16 4.065 -9.182 -2.583 145 1HH2 ARG 16 HH22 ARG 16 5.069 -12.405 -3.558 146 2HH2 ARG 16 HH21 ARG 16 4.779 -11.339 -2.217 147 H ASP 17 HN ASP 17 8.170 -7.288 -8.450 148 HA ASP 17 HA ASP 17 9.804 -6.870 -6.078 149 1HB ASP 17 HB2 ASP 17 10.444 -7.209 -9.009 150 2HB ASP 17 HB3 ASP 17 11.647 -6.756 -7.818 151 H VAL 18 HN VAL 18 8.464 -4.842 -5.730 152 HA VAL 18 HA VAL 18 8.907 -2.630 -7.469 153 HB VAL 18 HB VAL 18 6.979 -2.472 -6.080 154 1HG1 VAL 18 HG11 VAL 18 7.583 -3.901 -4.234 155 2HG1 VAL 18 HG12 VAL 18 8.809 -2.747 -3.700 156 3HG1 VAL 18 HG13 VAL 18 7.099 -2.318 -3.617 157 1HG2 VAL 18 HG21 VAL 18 7.381 -0.336 -4.870 158 2HG2 VAL 18 HG22 VAL 18 9.112 -0.548 -5.160 159 3HG2 VAL 18 HG23 VAL 18 8.003 -0.349 -6.521 160 H ASP 19 HN ASP 19 10.537 -1.171 -7.516 161 HA ASP 19 HA ASP 19 12.919 -1.870 -6.058 162 1HB ASP 19 HB2 ASP 19 13.019 -1.207 -8.443 163 2HB ASP 19 HB3 ASP 19 12.470 0.405 -8.000 164 H CYS 20 HN CYS 20 12.269 -1.447 -3.956 165 HA CYS 20 HA CYS 20 11.080 0.800 -2.928 166 1HB CYS 20 HB2 CYS 20 13.254 -0.675 -1.460 167 2HB CYS 20 HB3 CYS 20 11.809 0.093 -0.805 168 H ASP 21 HN ASP 21 14.551 0.241 -3.379 169 HA ASP 21 HA ASP 21 15.533 2.467 -2.039 170 1HB ASP 21 HB2 ASP 21 16.635 0.942 -4.395 171 2HB ASP 21 HB3 ASP 21 17.512 2.267 -3.642 172 H ASN 22 HN ASN 22 14.312 2.199 -5.322 173 HA ASN 22 HA ASN 22 15.048 4.948 -5.937 174 1HB ASN 22 HB2 ASN 22 15.278 3.188 -7.646 175 2HB ASN 22 HB3 ASN 22 13.555 2.887 -7.566 176 1HD2 ASN 22 HD21 ASN 22 13.352 3.311 -9.756 177 2HD2 ASN 22 HD22 ASN 22 13.398 4.918 -10.390 178 H ILE 23 HN ILE 23 12.155 2.995 -5.575 179 HA ILE 23 HA ILE 23 10.274 4.999 -6.105 180 HB ILE 23 HB ILE 23 10.018 2.567 -4.338 181 1HG1 ILE 23 HG12 ILE 23 10.532 2.083 -6.692 182 2HG1 ILE 23 HG13 ILE 23 8.893 1.595 -6.285 183 1HG2 ILE 23 HG21 ILE 23 7.605 2.846 -4.547 184 2HG2 ILE 23 HG22 ILE 23 8.334 4.244 -3.757 185 3HG2 ILE 23 HG23 ILE 23 7.843 4.342 -5.449 186 1HD1 ILE 23 HD11 ILE 23 8.981 2.637 -8.471 187 2HD1 ILE 23 HD12 ILE 23 8.024 3.606 -7.350 188 3HD1 ILE 23 HD13 ILE 23 9.668 4.098 -7.757 189 H LEU 24 HN LEU 24 11.715 3.991 -2.996 190 HA LEU 24 HA LEU 24 9.983 5.803 -1.565 191 1HB LEU 24 HB2 LEU 24 12.308 4.255 -0.449 192 2HB LEU 24 HB3 LEU 24 10.978 4.962 0.442 193 HG LEU 24 HG LEU 24 10.902 2.545 -1.355 194 1HD1 LEU 24 HD11 LEU 24 10.289 2.936 1.569 195 2HD1 LEU 24 HD12 LEU 24 10.153 1.422 0.676 196 3HD1 LEU 24 HD13 LEU 24 11.734 2.172 0.904 197 1HD2 LEU 24 HD21 LEU 24 8.896 3.861 -1.753 198 2HD2 LEU 24 HD22 LEU 24 8.535 2.382 -0.859 199 3HD2 LEU 24 HD23 LEU 24 8.592 3.933 -0.017 200 H SER 25 HN SER 25 12.842 6.272 -3.229 201 HA SER 25 HA SER 25 13.814 8.282 -1.345 202 1HB SER 25 HB2 SER 25 15.644 8.581 -3.096 203 2HB SER 25 HB3 SER 25 15.591 7.021 -2.277 204 HG SER 25 HG SER 25 15.243 6.103 -4.122 205 H THR 26 HN THR 26 11.450 8.161 -3.539 206 HA THR 26 HA THR 26 11.837 10.647 -4.911 207 HB THR 26 HB THR 26 9.458 10.426 -5.539 208 HG1 THR 26 HG1 THR 26 9.305 7.906 -4.313 209 1HG2 THR 26 HG21 THR 26 9.646 8.362 -6.833 210 2HG2 THR 26 HG22 THR 26 10.993 7.840 -5.821 211 3HG2 THR 26 HG23 THR 26 11.166 9.255 -6.860 212 H ASN 27 HN ASN 27 10.060 12.372 -4.656 213 HA ASN 27 HA ASN 27 10.183 13.374 -1.980 214 1HB ASN 27 HB2 ASN 27 10.133 14.751 -4.126 215 2HB ASN 27 HB3 ASN 27 8.409 14.407 -4.196 216 1HD2 ASN 27 HD21 ASN 27 10.416 15.078 -1.360 217 2HD2 ASN 27 HD22 ASN 27 9.579 16.530 -0.903 218 H LEU 28 HN LEU 28 8.189 11.184 -3.520 219 HA LEU 28 HA LEU 28 5.717 11.784 -2.175 220 1HB LEU 28 HB2 LEU 28 5.828 10.772 -4.426 221 2HB LEU 28 HB3 LEU 28 6.588 9.351 -3.739 222 HG LEU 28 HG LEU 28 4.500 8.997 -2.380 223 1HD1 LEU 28 HD11 LEU 28 2.463 10.111 -3.151 224 2HD1 LEU 28 HD12 LEU 28 3.621 11.263 -2.485 225 3HD1 LEU 28 HD13 LEU 28 3.424 11.122 -4.232 226 1HD2 LEU 28 HD21 LEU 28 4.243 8.984 -5.386 227 2HD2 LEU 28 HD22 LEU 28 4.989 7.724 -4.400 228 3HD2 LEU 28 HD23 LEU 28 3.261 8.046 -4.259 229 H PHE 29 HN PHE 29 8.585 10.295 -1.244 230 HA PHE 29 HA PHE 29 7.226 8.891 0.945 231 1HB PHE 29 HB2 PHE 29 9.451 7.713 -0.732 232 2HB PHE 29 HB3 PHE 29 8.810 6.996 0.742 233 HD1 PHE 29 HD1 PHE 29 8.382 7.425 -2.803 234 HD2 PHE 29 HD2 PHE 29 6.460 6.167 0.774 235 HE1 PHE 29 HE1 PHE 29 6.698 6.235 -4.136 236 HE2 PHE 29 HE2 PHE 29 4.769 4.971 -0.553 237 HZ PHE 29 HZ PHE 29 4.888 5.003 -3.014 238 H HIS 30 HN HIS 30 10.020 10.457 -0.385 239 HA HIS 30 HA HIS 30 11.932 11.278 0.483 240 1HB HIS 30 HB2 HIS 30 11.539 12.758 2.507 241 2HB HIS 30 HB3 HIS 30 10.619 13.114 1.065 242 HD1 HIS 30 HD1 HIS 30 10.201 11.659 4.538 243 HD2 HIS 30 HD2 HIS 30 7.895 13.055 1.368 244 HE1 HIS 30 HE1 HIS 30 7.854 11.813 5.420 245 HE2 HIS 30 HE2 HIS 30 6.506 12.802 3.532 246 H CYS 31 HN CYS 31 11.977 8.705 0.943 247 HA CYS 31 HA CYS 31 12.945 7.056 2.127 248 1HB CYS 31 HB2 CYS 31 14.484 9.267 3.498 249 2HB CYS 31 HB3 CYS 31 14.986 7.600 3.264 250 H LYS 32 HN LYS 32 10.723 6.947 3.109 251 HA LYS 32 HA LYS 32 10.466 7.642 5.878 252 1HB LYS 32 HB2 LYS 32 8.342 6.485 5.777 253 2HB LYS 32 HB3 LYS 32 8.521 7.511 4.363 254 1HG LYS 32 HG2 LYS 32 9.417 5.277 3.276 255 2HG LYS 32 HG3 LYS 32 8.470 4.549 4.571 256 1HD LYS 32 HD2 LYS 32 7.440 6.527 2.543 257 2HD LYS 32 HD3 LYS 32 7.174 4.785 2.503 258 1HE LYS 32 HE2 LYS 32 5.970 4.904 4.612 259 2HE LYS 32 HE3 LYS 32 6.276 6.639 4.706 260 1HZ LYS 32 HZ1 LYS 32 4.696 5.272 2.592 261 2HZ LYS 32 HZ2 LYS 32 4.990 6.941 2.682 262 3HZ LYS 32 HZ3 LYS 32 4.059 6.178 3.879 263 H ASP 33 HN ASP 33 9.685 5.715 7.370 264 HA ASP 33 HA ASP 33 11.924 4.055 7.844 265 1HB ASP 33 HB2 ASP 33 9.092 3.829 8.891 266 2HB ASP 33 HB3 ASP 33 10.459 2.907 9.499 267 H LYS 34 HN LYS 34 8.675 3.305 6.660 268 HA LYS 34 HA LYS 34 9.698 1.157 5.023 269 1HB LYS 34 HB2 LYS 34 8.327 -0.580 5.985 270 2HB LYS 34 HB3 LYS 34 9.359 0.087 7.239 271 1HG LYS 34 HG2 LYS 34 6.879 1.511 7.171 272 2HG LYS 34 HG3 LYS 34 6.578 -0.223 7.276 273 1HD LYS 34 HD2 LYS 34 8.401 1.342 9.100 274 2HD LYS 34 HD3 LYS 34 6.754 0.839 9.494 275 1HE LYS 34 HE2 LYS 34 7.487 -1.524 9.076 276 2HE LYS 34 HE3 LYS 34 9.136 -0.917 8.955 277 1HZ LYS 34 HZ1 LYS 34 7.370 -0.693 11.332 278 2HZ LYS 34 HZ2 LYS 34 8.951 -0.082 11.223 279 3HZ LYS 34 HZ3 LYS 34 8.681 -1.753 11.156 280 H ASN 35 HN ASN 35 7.991 0.275 3.633 281 HA ASN 35 HA ASN 35 5.471 1.704 3.591 282 1HB ASN 35 HB2 ASN 35 7.132 3.077 2.233 283 2HB ASN 35 HB3 ASN 35 7.159 1.737 1.095 284 1HD2 ASN 35 HD21 ASN 35 5.368 1.329 -0.162 285 2HD2 ASN 35 HD22 ASN 35 4.060 2.454 -0.326 286 H THR 36 HN THR 36 4.012 0.141 3.364 287 HA THR 36 HA THR 36 4.749 -2.375 2.104 288 HB THR 36 HB THR 36 2.095 -1.650 3.358 289 HG1 THR 36 HG1 THR 36 4.574 -2.367 4.511 290 1HG2 THR 36 HG21 THR 36 1.900 -4.072 3.691 291 2HG2 THR 36 HG22 THR 36 3.466 -4.309 2.915 292 3HG2 THR 36 HG23 THR 36 2.106 -3.684 1.983 293 H PHE 37 HN PHE 37 4.508 -2.579 -0.027 294 HA PHE 37 HA PHE 37 2.453 -1.025 -1.418 295 1HB PHE 37 HB2 PHE 37 4.692 -2.757 -2.487 296 2HB PHE 37 HB3 PHE 37 3.553 -1.864 -3.484 297 HD1 PHE 37 HD1 PHE 37 6.413 -1.596 -1.197 298 HD2 PHE 37 HD2 PHE 37 3.752 0.491 -3.783 299 HE1 PHE 37 HE1 PHE 37 7.863 0.383 -1.089 300 HE2 PHE 37 HE2 PHE 37 5.211 2.468 -3.688 301 HZ PHE 37 HZ PHE 37 7.364 2.334 -2.449 302 H ILE 38 HN ILE 38 0.908 -1.953 -2.710 303 HA ILE 38 HA ILE 38 0.308 -4.776 -2.146 304 HB ILE 38 HB ILE 38 -1.544 -2.568 -3.071 305 1HG1 ILE 38 HG12 ILE 38 -1.504 -3.849 -0.344 306 2HG1 ILE 38 HG13 ILE 38 -0.571 -2.401 -0.706 307 1HG2 ILE 38 HG21 ILE 38 -3.345 -4.132 -2.562 308 2HG2 ILE 38 HG22 ILE 38 -2.261 -4.794 -3.785 309 3HG2 ILE 38 HG23 ILE 38 -2.161 -5.363 -2.118 310 1HD1 ILE 38 HD11 ILE 38 -2.683 -1.857 0.363 311 2HD1 ILE 38 HD12 ILE 38 -2.619 -1.219 -1.278 312 3HD1 ILE 38 HD13 ILE 38 -3.559 -2.670 -0.933 313 H TYR 39 HN TYR 39 0.781 -6.099 -3.823 314 HA TYR 39 HA TYR 39 0.933 -5.087 -6.516 315 1HB TYR 39 HB2 TYR 39 2.474 -6.857 -5.908 316 2HB TYR 39 HB3 TYR 39 1.142 -7.907 -5.441 317 HD1 TYR 39 HD1 TYR 39 2.524 -6.081 -8.381 318 HD2 TYR 39 HD2 TYR 39 0.266 -9.413 -6.999 319 HE1 TYR 39 HE1 TYR 39 2.471 -6.984 -10.666 320 HE2 TYR 39 HE2 TYR 39 0.204 -10.322 -9.284 321 HH TYR 39 HH TYR 39 2.176 -9.094 -11.801 322 H SER 40 HN SER 40 -1.049 -4.306 -6.907 323 HA SER 40 HA SER 40 -2.937 -6.029 -8.059 324 1HB SER 40 HB2 SER 40 -3.476 -6.507 -5.668 325 2HB SER 40 HB3 SER 40 -3.789 -4.794 -5.415 326 HG SER 40 HG SER 40 -5.145 -6.134 -7.473 327 H ARG 41 HN ARG 41 -4.469 -4.820 -9.224 328 HA ARG 41 HA ARG 41 -3.671 -2.185 -9.857 329 1HB ARG 41 HB2 ARG 41 -5.827 -4.008 -10.696 330 2HB ARG 41 HB3 ARG 41 -6.145 -2.300 -10.910 331 1HG ARG 41 HG2 ARG 41 -4.725 -2.123 -12.612 332 2HG ARG 41 HG3 ARG 41 -3.507 -3.133 -11.826 333 1HD ARG 41 HD2 ARG 41 -5.991 -4.411 -12.804 334 2HD ARG 41 HD3 ARG 41 -4.782 -3.928 -13.989 335 HE ARG 41 HE ARG 41 -3.282 -5.261 -12.243 336 1HH1 ARG 41 HH12 ARG 41 -6.402 -6.107 -13.592 337 2HH1 ARG 41 HH11 ARG 41 -6.069 -7.811 -13.619 338 1HH2 ARG 41 HH22 ARG 41 -2.835 -7.507 -12.267 339 2HH2 ARG 41 HH21 ARG 41 -4.046 -8.612 -12.850 340 HA PRO 42 HA PRO 42 -5.839 0.378 -7.070 341 1HB PRO 42 HB2 PRO 42 -6.902 2.290 -8.724 342 2HB PRO 42 HB3 PRO 42 -5.201 2.233 -8.253 343 1HG PRO 42 HG2 PRO 42 -6.499 1.325 -10.780 344 2HG PRO 42 HG3 PRO 42 -4.941 2.127 -10.548 345 1HD PRO 42 HD2 PRO 42 -5.187 -0.548 -10.999 346 2HD PRO 42 HD3 PRO 42 -3.866 0.155 -10.037 347 H GLU 43 HN GLU 43 -7.617 -0.930 -9.788 348 HA GLU 43 HA GLU 43 -10.177 -0.023 -8.945 349 1HB GLU 43 HB2 GLU 43 -9.283 -2.132 -10.894 350 2HB GLU 43 HB3 GLU 43 -10.973 -1.763 -10.603 351 1HG GLU 43 HG2 GLU 43 -10.644 0.508 -11.348 352 2HG GLU 43 HG3 GLU 43 -8.916 0.222 -11.530 353 HA PRO 44 HA PRO 44 -10.769 -4.571 -7.295 354 1HB PRO 44 HB2 PRO 44 -8.419 -5.899 -6.759 355 2HB PRO 44 HB3 PRO 44 -9.384 -6.131 -8.218 356 1HG PRO 44 HG2 PRO 44 -6.942 -4.461 -7.801 357 2HG PRO 44 HG3 PRO 44 -7.382 -5.485 -9.182 358 1HD PRO 44 HD2 PRO 44 -7.669 -2.814 -9.264 359 2HD PRO 44 HD3 PRO 44 -8.818 -3.897 -10.053 360 H VAL 45 HN VAL 45 -8.182 -2.434 -6.354 361 HA VAL 45 HA VAL 45 -8.383 -3.203 -3.557 362 HB VAL 45 HB VAL 45 -6.727 -1.045 -4.882 363 1HG1 VAL 45 HG11 VAL 45 -6.703 -1.993 -2.017 364 2HG1 VAL 45 HG12 VAL 45 -5.561 -0.858 -2.736 365 3HG1 VAL 45 HG13 VAL 45 -7.263 -0.419 -2.581 366 1HG2 VAL 45 HG21 VAL 45 -6.022 -3.300 -5.448 367 2HG2 VAL 45 HG22 VAL 45 -4.850 -2.540 -4.373 368 3HG2 VAL 45 HG23 VAL 45 -5.982 -3.735 -3.741 369 H LYS 46 HN LYS 46 -9.333 -0.517 -5.660 370 HA LYS 46 HA LYS 46 -10.503 1.042 -3.585 371 1HB LYS 46 HB2 LYS 46 -9.935 1.921 -5.869 372 2HB LYS 46 HB3 LYS 46 -11.276 0.986 -6.513 373 1HG LYS 46 HG2 LYS 46 -12.843 2.257 -5.162 374 2HG LYS 46 HG3 LYS 46 -11.511 3.172 -4.460 375 1HD LYS 46 HD2 LYS 46 -10.943 4.044 -6.665 376 2HD LYS 46 HD3 LYS 46 -12.279 3.133 -7.373 377 1HE LYS 46 HE2 LYS 46 -12.550 5.262 -5.256 378 2HE LYS 46 HE3 LYS 46 -12.841 5.498 -6.973 379 1HZ LYS 46 HZ1 LYS 46 -14.594 3.799 -6.842 380 2HZ LYS 46 HZ2 LYS 46 -14.915 5.132 -5.836 381 3HZ LYS 46 HZ3 LYS 46 -14.346 3.686 -5.167 382 H ALA 47 HN ALA 47 -11.538 -1.639 -5.549 383 HA ALA 47 HA ALA 47 -14.307 -1.529 -4.972 384 1HB ALA 47 HB1 ALA 47 -12.618 -3.910 -5.730 385 2HB ALA 47 HB2 ALA 47 -14.378 -3.816 -5.806 386 3HB ALA 47 HB3 ALA 47 -13.394 -2.794 -6.855 387 H ILE 48 HN ILE 48 -11.594 -2.512 -3.097 388 HA ILE 48 HA ILE 48 -12.912 -4.221 -1.267 389 HB ILE 48 HB ILE 48 -10.601 -2.342 -0.704 390 1HG1 ILE 48 HG12 ILE 48 -10.559 -5.250 -1.546 391 2HG1 ILE 48 HG13 ILE 48 -10.196 -3.894 -2.607 392 1HG2 ILE 48 HG21 ILE 48 -11.638 -3.159 1.330 393 2HG2 ILE 48 HG22 ILE 48 -11.546 -4.818 0.737 394 3HG2 ILE 48 HG23 ILE 48 -10.067 -3.928 1.100 395 1HD1 ILE 48 HD11 ILE 48 -8.660 -4.659 -0.139 396 2HD1 ILE 48 HD12 ILE 48 -8.173 -4.968 -1.806 397 3HD1 ILE 48 HD13 ILE 48 -8.290 -3.311 -1.214 398 H CYS 49 HN CYS 49 -12.720 -0.769 -1.688 399 HA CYS 49 HA CYS 49 -14.236 -0.296 0.768 400 1HB CYS 49 HB2 CYS 49 -12.832 1.578 -1.143 401 2HB CYS 49 HB3 CYS 49 -13.696 2.091 0.303 402 H LYS 50 HN LYS 50 -15.166 -1.363 -1.992 403 HA LYS 50 HA LYS 50 -16.882 0.527 -3.158 404 1HB LYS 50 HB2 LYS 50 -16.244 -1.641 -4.194 405 2HB LYS 50 HB3 LYS 50 -17.261 -2.470 -3.024 406 1HG LYS 50 HG2 LYS 50 -19.190 -1.108 -3.924 407 2HG LYS 50 HG3 LYS 50 -18.110 -0.615 -5.230 408 1HD LYS 50 HD2 LYS 50 -18.904 -3.440 -4.534 409 2HD LYS 50 HD3 LYS 50 -19.477 -2.507 -5.918 410 1HE LYS 50 HE2 LYS 50 -17.223 -2.425 -6.819 411 2HE LYS 50 HE3 LYS 50 -16.609 -3.282 -5.405 412 1HZ LYS 50 HZ1 LYS 50 -16.874 -4.825 -7.195 413 2HZ LYS 50 HZ2 LYS 50 -18.477 -4.340 -7.457 414 3HZ LYS 50 HZ3 LYS 50 -18.064 -5.163 -6.033 415 H GLY 51 HN GLY 51 -18.639 1.453 -2.418 416 1HA GLY 51 HA1 GLY 51 -20.750 1.612 -1.500 417 2HA GLY 51 HA2 GLY 51 -20.600 -0.041 -0.929 418 H ILE 52 HN ILE 52 -17.962 1.980 -0.108 419 HA ILE 52 HA ILE 52 -19.068 2.244 2.619 420 HB ILE 52 HB ILE 52 -16.136 2.190 1.934 421 1HG1 ILE 52 HG12 ILE 52 -17.172 0.076 1.196 422 2HG1 ILE 52 HG13 ILE 52 -16.100 -0.163 2.564 423 1HG2 ILE 52 HG21 ILE 52 -15.889 1.623 4.307 424 2HG2 ILE 52 HG22 ILE 52 -16.711 3.169 4.082 425 3HG2 ILE 52 HG23 ILE 52 -17.639 1.729 4.507 426 1HD1 ILE 52 HD11 ILE 52 -19.100 -0.035 2.662 427 2HD1 ILE 52 HD12 ILE 52 -18.108 -1.486 2.802 428 3HD1 ILE 52 HD13 ILE 52 -18.040 -0.247 4.057 429 H ILE 53 HN ILE 53 -19.921 4.312 2.439 430 HA ILE 53 HA ILE 53 -18.389 6.436 1.243 431 HB ILE 53 HB ILE 53 -21.105 6.311 2.533 432 1HG1 ILE 53 HG12 ILE 53 -21.858 6.996 0.300 433 2HG1 ILE 53 HG13 ILE 53 -20.198 7.045 -0.259 434 1HG2 ILE 53 HG21 ILE 53 -20.116 8.445 3.188 435 2HG2 ILE 53 HG22 ILE 53 -19.731 8.789 1.501 436 3HG2 ILE 53 HG23 ILE 53 -21.414 8.679 2.016 437 1HD1 ILE 53 HD11 ILE 53 -21.333 5.051 -1.026 438 2HD1 ILE 53 HD12 ILE 53 -20.022 4.641 0.082 439 3HD1 ILE 53 HD13 ILE 53 -21.696 4.600 0.641 440 H ALA 54 HN ALA 54 -19.534 5.583 4.485 441 HA ALA 54 HA ALA 54 -18.304 7.859 5.722 442 1HB ALA 54 HB1 ALA 54 -19.390 5.328 6.949 443 2HB ALA 54 HB2 ALA 54 -18.957 6.800 7.824 444 3HB ALA 54 HB3 ALA 54 -20.295 6.818 6.673 445 H SER 55 HN SER 55 -16.410 7.975 6.847 446 HA SER 55 HA SER 55 -14.212 6.457 6.192 447 1HB SER 55 HB2 SER 55 -13.307 7.387 8.441 448 2HB SER 55 HB3 SER 55 -13.786 8.533 7.188 449 HG SER 55 HG SER 55 -15.655 7.685 9.127 450 H LYS 56 HN LYS 56 -14.073 4.314 6.402 451 HA LYS 56 HA LYS 56 -14.565 3.097 9.019 452 1HB LYS 56 HB2 LYS 56 -16.675 2.838 7.897 453 2HB LYS 56 HB3 LYS 56 -15.886 2.291 6.427 454 1HG LYS 56 HG2 LYS 56 -15.174 0.249 7.580 455 2HG LYS 56 HG3 LYS 56 -15.995 0.800 9.042 456 1HD LYS 56 HD2 LYS 56 -18.124 0.698 7.983 457 2HD LYS 56 HD3 LYS 56 -17.392 0.455 6.397 458 1HE LYS 56 HE2 LYS 56 -18.295 -1.630 7.249 459 2HE LYS 56 HE3 LYS 56 -16.540 -1.718 7.127 460 1HZ LYS 56 HZ1 LYS 56 -17.433 -2.673 9.191 461 2HZ LYS 56 HZ2 LYS 56 -18.018 -1.145 9.641 462 3HZ LYS 56 HZ3 LYS 56 -16.349 -1.403 9.480 463 H ASN 57 HN ASN 57 -13.091 1.586 9.513 464 HA ASN 57 HA ASN 57 -11.013 0.985 7.575 465 1HB ASN 57 HB2 ASN 57 -11.350 0.178 10.475 466 2HB ASN 57 HB3 ASN 57 -9.947 -0.213 9.491 467 1HD2 ASN 57 HD21 ASN 57 -10.165 1.334 11.944 468 2HD2 ASN 57 HD22 ASN 57 -9.485 2.880 11.580 469 H VAL 58 HN VAL 58 -11.323 -0.642 6.175 470 HA VAL 58 HA VAL 58 -12.905 -2.931 7.124 471 HB VAL 58 HB VAL 58 -13.679 -3.353 4.953 472 1HG1 VAL 58 HG11 VAL 58 -13.665 -0.374 5.338 473 2HG1 VAL 58 HG12 VAL 58 -14.734 -1.251 4.244 474 3HG1 VAL 58 HG13 VAL 58 -14.840 -1.519 5.985 475 1HG2 VAL 58 HG21 VAL 58 -12.914 -2.231 2.939 476 2HG2 VAL 58 HG22 VAL 58 -11.729 -1.329 3.889 477 3HG2 VAL 58 HG23 VAL 58 -11.591 -3.082 3.742 478 H LEU 59 HN LEU 59 -11.989 -4.833 7.240 479 HA LEU 59 HA LEU 59 -9.221 -5.131 6.405 480 1HB LEU 59 HB2 LEU 59 -10.031 -5.622 8.741 481 2HB LEU 59 HB3 LEU 59 -10.949 -6.952 8.081 482 HG LEU 59 HG LEU 59 -8.661 -7.393 9.211 483 1HD1 LEU 59 HD11 LEU 59 -9.974 -9.096 8.109 484 2HD1 LEU 59 HD12 LEU 59 -9.330 -8.593 6.547 485 3HD1 LEU 59 HD13 LEU 59 -8.257 -9.293 7.758 486 1HD2 LEU 59 HD21 LEU 59 -6.770 -7.367 7.698 487 2HD2 LEU 59 HD22 LEU 59 -7.764 -6.597 6.461 488 3HD2 LEU 59 HD23 LEU 59 -7.401 -5.741 7.959 489 H THR 60 HN THR 60 -8.584 -6.584 4.857 490 HA THR 60 HA THR 60 -10.621 -7.335 2.989 491 HB THR 60 HB THR 60 -8.772 -8.290 1.643 492 HG1 THR 60 HG1 THR 60 -7.078 -8.883 2.746 493 1HG2 THR 60 HG21 THR 60 -8.267 -5.519 2.725 494 2HG2 THR 60 HG22 THR 60 -9.332 -5.941 1.385 495 3HG2 THR 60 HG23 THR 60 -7.590 -6.169 1.233 496 H THR 61 HN THR 61 -11.463 -9.264 2.544 497 HA THR 61 HA THR 61 -11.500 -11.206 4.592 498 HB THR 61 HB THR 61 -12.837 -12.518 2.879 499 HG1 THR 61 HG1 THR 61 -12.979 -11.756 0.884 500 1HG2 THR 61 HG21 THR 61 -14.736 -10.940 2.946 501 2HG2 THR 61 HG22 THR 61 -13.631 -9.661 3.459 502 3HG2 THR 61 HG23 THR 61 -13.917 -11.056 4.504 503 H SER 62 HN SER 62 -9.585 -10.819 1.756 504 HA SER 62 HA SER 62 -8.423 -13.491 2.123 505 1HB SER 62 HB2 SER 62 -8.797 -12.118 -0.546 506 2HB SER 62 HB3 SER 62 -8.234 -13.764 -0.264 507 HG SER 62 HG SER 62 -10.447 -13.897 0.877 508 H GLU 63 HN GLU 63 -6.200 -13.675 1.379 509 HA GLU 63 HA GLU 63 -4.659 -11.355 2.032 510 1HB GLU 63 HB2 GLU 63 -3.701 -14.029 1.003 511 2HB GLU 63 HB3 GLU 63 -2.719 -12.790 1.755 512 1HG GLU 63 HG2 GLU 63 -3.007 -14.257 3.481 513 2HG GLU 63 HG3 GLU 63 -4.304 -13.108 3.782 514 H PHE 64 HN PHE 64 -3.355 -10.157 0.740 515 HA PHE 64 HA PHE 64 -3.614 -10.581 -2.163 516 1HB PHE 64 HB2 PHE 64 -3.388 -8.044 -0.559 517 2HB PHE 64 HB3 PHE 64 -3.028 -8.085 -2.278 518 HD1 PHE 64 HD1 PHE 64 -4.722 -7.900 -3.848 519 HD2 PHE 64 HD2 PHE 64 -5.715 -8.795 0.191 520 HE1 PHE 64 HE1 PHE 64 -7.108 -7.601 -4.372 521 HE2 PHE 64 HE2 PHE 64 -8.104 -8.499 -0.325 522 HZ PHE 64 HZ PHE 64 -8.800 -7.899 -2.610 523 H TYR 65 HN TYR 65 -1.708 -9.618 -3.382 524 HA TYR 65 HA TYR 65 0.669 -10.827 -2.246 525 1HB TYR 65 HB2 TYR 65 0.372 -9.432 -4.912 526 2HB TYR 65 HB3 TYR 65 1.657 -10.532 -4.430 527 HD1 TYR 65 HD1 TYR 65 -1.375 -10.243 -6.168 528 HD2 TYR 65 HD2 TYR 65 0.841 -12.952 -3.751 529 HE1 TYR 65 HE1 TYR 65 -2.657 -12.117 -7.109 530 HE2 TYR 65 HE2 TYR 65 -0.442 -14.836 -4.675 531 HH TYR 65 HH TYR 65 -2.422 -15.347 -5.838 532 H LEU 66 HN LEU 66 1.604 -9.563 -0.729 533 HA LEU 66 HA LEU 66 1.740 -6.680 -1.243 534 1HB LEU 66 HB2 LEU 66 2.222 -8.164 1.333 535 2HB LEU 66 HB3 LEU 66 2.109 -6.426 1.133 536 HG LEU 66 HG LEU 66 -0.143 -8.375 0.664 537 1HD1 LEU 66 HD11 LEU 66 -1.107 -7.370 2.690 538 2HD1 LEU 66 HD12 LEU 66 0.399 -8.232 3.010 539 3HD1 LEU 66 HD13 LEU 66 0.391 -6.470 2.931 540 1HD2 LEU 66 HD21 LEU 66 -0.093 -5.359 0.644 541 2HD2 LEU 66 HD22 LEU 66 -0.329 -6.411 -0.753 542 3HD2 LEU 66 HD23 LEU 66 -1.540 -6.363 0.528 543 H SER 67 HN SER 67 3.629 -5.560 -1.159 544 HA SER 67 HA SER 67 6.102 -7.066 -0.649 545 1HB SER 67 HB2 SER 67 5.689 -4.932 -2.767 546 2HB SER 67 HB3 SER 67 7.214 -5.740 -2.408 547 HG SER 67 HG SER 67 6.497 -6.990 -3.980 548 H ASP 68 HN ASP 68 6.885 -6.291 1.186 549 HA ASP 68 HA ASP 68 6.187 -3.543 1.949 550 1HB ASP 68 HB2 ASP 68 5.381 -5.330 3.432 551 2HB ASP 68 HB3 ASP 68 7.036 -5.880 3.674 552 H CYS 69 HN CYS 69 7.709 -2.098 1.692 553 HA CYS 69 HA CYS 69 10.509 -2.915 1.588 554 1HB CYS 69 HB2 CYS 69 9.172 -0.269 0.984 555 2HB CYS 69 HB3 CYS 69 10.877 -0.618 0.731 556 H ASN 70 HN ASN 70 11.750 -2.763 3.338 557 HA ASN 70 HA ASN 70 11.033 -0.777 5.412 558 1HB ASN 70 HB2 ASN 70 12.157 -3.568 5.790 559 2HB ASN 70 HB3 ASN 70 12.020 -2.364 7.069 560 1HD2 ASN 70 HD21 ASN 70 10.260 -4.478 4.930 561 2HD2 ASN 70 HD22 ASN 70 8.744 -4.384 5.769 562 H VAL 71 HN VAL 71 12.671 0.374 6.315 563 HA VAL 71 HA VAL 71 15.065 0.693 4.838 564 HB VAL 71 HB VAL 71 13.902 2.469 6.183 565 1HG1 VAL 71 HG11 VAL 71 13.472 1.233 8.217 566 2HG1 VAL 71 HG12 VAL 71 15.203 1.064 8.509 567 3HG1 VAL 71 HG13 VAL 71 14.450 2.657 8.570 568 1HG2 VAL 71 HG21 VAL 71 16.840 2.039 6.717 569 2HG2 VAL 71 HG22 VAL 71 16.132 2.842 5.315 570 3HG2 VAL 71 HG23 VAL 71 15.983 3.568 6.917 571 H THR 72 HN THR 72 17.084 0.024 5.173 572 HA THR 72 HA THR 72 17.411 -2.243 6.981 573 HB THR 72 HB THR 72 19.544 -2.604 5.737 574 HG1 THR 72 HG1 THR 72 18.592 -0.445 4.118 575 1HG2 THR 72 HG21 THR 72 18.509 -3.326 3.636 576 2HG2 THR 72 HG22 THR 72 17.081 -2.360 4.008 577 3HG2 THR 72 HG23 THR 72 17.503 -3.737 5.025 578 H SER 73 HN SER 73 20.368 -1.740 6.798 579 HA SER 73 HA SER 73 20.599 -0.292 9.273 580 1HB SER 73 HB2 SER 73 23.090 -0.836 8.869 581 2HB SER 73 HB3 SER 73 21.991 -2.189 9.139 582 HG SER 73 HG SER 73 23.421 -2.486 7.337 583 H ARG 74 HN ARG 74 21.068 0.249 5.898 584 HA ARG 74 HA ARG 74 22.342 2.813 6.388 585 1HB ARG 74 HB2 ARG 74 23.433 1.722 4.634 586 2HB ARG 74 HB3 ARG 74 21.931 1.097 3.965 587 1HG ARG 74 HG2 ARG 74 21.308 3.321 3.251 588 2HG ARG 74 HG3 ARG 74 22.800 3.978 3.927 589 1HD ARG 74 HD2 ARG 74 24.122 2.763 2.355 590 2HD ARG 74 HD3 ARG 74 22.722 1.842 1.804 591 HE ARG 74 HE ARG 74 22.540 4.721 1.465 592 1HH1 ARG 74 HH12 ARG 74 23.518 1.684 0.012 593 2HH1 ARG 74 HH11 ARG 74 23.258 2.237 -1.615 594 1HH2 ARG 74 HH22 ARG 74 22.183 5.436 -0.693 595 2HH2 ARG 74 HH21 ARG 74 22.524 4.350 -2.015 596 HA PRO 75 HA PRO 75 18.405 4.769 6.290 597 1HB PRO 75 HB2 PRO 75 19.240 7.320 5.804 598 2HB PRO 75 HB3 PRO 75 19.343 6.540 7.386 599 1HG PRO 75 HG2 PRO 75 21.467 6.937 5.325 600 2HG PRO 75 HG3 PRO 75 21.576 7.059 7.089 601 1HD PRO 75 HD2 PRO 75 22.446 4.899 5.696 602 2HD PRO 75 HD3 PRO 75 21.824 4.789 7.352 603 H CYS 76 HN CYS 76 16.943 4.871 4.759 604 HA CYS 76 HA CYS 76 15.858 5.231 2.817 605 1HB CYS 76 HB2 CYS 76 17.014 7.470 2.914 606 2HB CYS 76 HB3 CYS 76 18.255 6.806 1.863 607 H LYS 77 HN LYS 77 18.171 3.159 3.229 608 HA LYS 77 HA LYS 77 17.832 2.102 0.509 609 1HB LYS 77 HB2 LYS 77 20.226 2.440 1.270 610 2HB LYS 77 HB3 LYS 77 19.923 1.246 2.525 611 1HG LYS 77 HG2 LYS 77 19.402 0.570 -0.326 612 2HG LYS 77 HG3 LYS 77 21.049 0.542 0.300 613 1HD LYS 77 HD2 LYS 77 20.482 -1.112 1.925 614 2HD LYS 77 HD3 LYS 77 18.760 -0.942 1.579 615 1HE LYS 77 HE2 LYS 77 20.790 -1.898 -0.430 616 2HE LYS 77 HE3 LYS 77 19.846 -2.978 0.596 617 1HZ LYS 77 HZ1 LYS 77 18.796 -2.773 -1.533 618 2HZ LYS 77 HZ2 LYS 77 18.776 -1.080 -1.431 619 3HZ LYS 77 HZ3 LYS 77 17.823 -2.005 -0.379 620 H TYR 78 HN TYR 78 16.665 0.218 0.344 621 HA TYR 78 HA TYR 78 15.544 -0.684 2.925 622 1HB TYR 78 HB2 TYR 78 14.027 -0.443 0.329 623 2HB TYR 78 HB3 TYR 78 13.369 -0.739 1.939 624 HD1 TYR 78 HD1 TYR 78 13.304 1.054 3.600 625 HD2 TYR 78 HD2 TYR 78 14.624 1.771 -0.377 626 HE1 TYR 78 HE1 TYR 78 12.980 3.462 3.934 627 HE2 TYR 78 HE2 TYR 78 14.306 4.187 -0.052 628 HH TYR 78 HH TYR 78 13.686 5.536 3.049 629 H LYS 79 HN LYS 79 14.409 -2.721 2.844 630 HA LYS 79 HA LYS 79 15.568 -4.642 0.932 631 1HB LYS 79 HB2 LYS 79 16.513 -4.955 3.168 632 2HB LYS 79 HB3 LYS 79 14.900 -5.018 3.859 633 1HG LYS 79 HG2 LYS 79 14.442 -7.082 2.732 634 2HG LYS 79 HG3 LYS 79 16.002 -7.017 1.909 635 1HD LYS 79 HD2 LYS 79 16.040 -8.531 3.849 636 2HD LYS 79 HD3 LYS 79 17.157 -7.178 4.041 637 1HE LYS 79 HE2 LYS 79 15.426 -6.013 5.386 638 2HE LYS 79 HE3 LYS 79 14.423 -7.458 5.278 639 1HZ LYS 79 HZ1 LYS 79 16.100 -8.702 6.445 640 2HZ LYS 79 HZ2 LYS 79 15.683 -7.335 7.354 641 3HZ LYS 79 HZ3 LYS 79 17.137 -7.359 6.478 642 H LEU 80 HN LEU 80 14.118 -5.877 -0.138 643 HA LEU 80 HA LEU 80 11.344 -5.152 0.087 644 1HB LEU 80 HB2 LEU 80 12.433 -5.477 -2.089 645 2HB LEU 80 HB3 LEU 80 12.717 -7.156 -1.709 646 HG LEU 80 HG LEU 80 10.256 -7.467 -1.611 647 1HD1 LEU 80 HD11 LEU 80 10.212 -4.692 -2.754 648 2HD1 LEU 80 HD12 LEU 80 8.825 -5.769 -2.597 649 3HD1 LEU 80 HD13 LEU 80 9.638 -5.163 -1.155 650 1HD2 LEU 80 HD21 LEU 80 11.366 -6.428 -4.209 651 2HD2 LEU 80 HD22 LEU 80 11.538 -8.071 -3.591 652 3HD2 LEU 80 HD23 LEU 80 9.945 -7.459 -4.032 653 H LYS 81 HN LYS 81 9.659 -6.389 0.777 654 HA LYS 81 HA LYS 81 10.285 -9.066 1.828 655 1HB LYS 81 HB2 LYS 81 10.070 -7.331 3.638 656 2HB LYS 81 HB3 LYS 81 8.410 -7.077 3.123 657 1HG LYS 81 HG2 LYS 81 7.902 -9.419 3.649 658 2HG LYS 81 HG3 LYS 81 9.563 -9.644 4.198 659 1HD LYS 81 HD2 LYS 81 8.345 -9.251 6.161 660 2HD LYS 81 HD3 LYS 81 9.103 -7.699 5.797 661 1HE LYS 81 HE2 LYS 81 6.945 -7.103 4.597 662 2HE LYS 81 HE3 LYS 81 6.244 -8.525 5.366 663 1HZ LYS 81 HZ1 LYS 81 5.730 -6.749 6.772 664 2HZ LYS 81 HZ2 LYS 81 7.267 -6.062 6.638 665 3HZ LYS 81 HZ3 LYS 81 7.057 -7.492 7.530 666 H LYS 82 HN LYS 82 9.327 -10.314 0.344 667 HA LYS 82 HA LYS 82 6.720 -9.636 -0.733 668 1HB LYS 82 HB2 LYS 82 8.605 -11.950 -1.186 669 2HB LYS 82 HB3 LYS 82 7.032 -11.824 -1.961 670 1HG LYS 82 HG2 LYS 82 7.710 -9.773 -3.061 671 2HG LYS 82 HG3 LYS 82 9.270 -9.829 -2.237 672 1HD LYS 82 HD2 LYS 82 9.943 -11.746 -3.420 673 2HD LYS 82 HD3 LYS 82 8.303 -12.072 -3.976 674 1HE LYS 82 HE2 LYS 82 8.373 -10.032 -5.337 675 2HE LYS 82 HE3 LYS 82 10.022 -9.734 -4.792 676 1HZ LYS 82 HZ1 LYS 82 9.169 -12.159 -6.281 677 2HZ LYS 82 HZ2 LYS 82 10.756 -11.713 -5.883 678 3HZ LYS 82 HZ3 LYS 82 9.877 -10.793 -7.001 679 H SER 83 HN SER 83 4.911 -10.159 0.292 680 HA SER 83 HA SER 83 4.698 -12.764 1.567 681 1HB SER 83 HB2 SER 83 4.068 -10.210 3.074 682 2HB SER 83 HB3 SER 83 3.847 -11.854 3.671 683 HG SER 83 HG SER 83 6.355 -11.624 2.834 684 H THR 84 HN THR 84 2.624 -13.570 1.574 685 HA THR 84 HA THR 84 0.578 -11.903 0.270 686 HB THR 84 HB THR 84 0.301 -14.853 0.823 687 HG1 THR 84 HG1 THR 84 2.192 -13.723 -0.698 688 1HG2 THR 84 HG21 THR 84 -0.782 -13.036 -1.340 689 2HG2 THR 84 HG22 THR 84 -1.686 -13.665 0.037 690 3HG2 THR 84 HG23 THR 84 -1.095 -14.765 -1.209 691 H ASN 85 HN ASN 85 -0.760 -10.895 1.635 692 HA ASN 85 HA ASN 85 -1.827 -12.265 3.938 693 1HB ASN 85 HB2 ASN 85 0.462 -11.066 4.538 694 2HB ASN 85 HB3 ASN 85 -0.580 -9.659 4.568 695 1HD2 ASN 85 HD21 ASN 85 -0.044 -9.533 6.810 696 2HD2 ASN 85 HD22 ASN 85 -0.876 -10.520 7.960 697 H LYS 86 HN LYS 86 -3.606 -11.134 4.912 698 HA LYS 86 HA LYS 86 -5.075 -9.466 3.121 699 1HB LYS 86 HB2 LYS 86 -5.637 -9.730 6.064 700 2HB LYS 86 HB3 LYS 86 -6.778 -9.512 4.747 701 1HG LYS 86 HG2 LYS 86 -6.243 -11.816 3.978 702 2HG LYS 86 HG3 LYS 86 -5.241 -12.013 5.418 703 1HD LYS 86 HD2 LYS 86 -7.302 -11.364 6.746 704 2HD LYS 86 HD3 LYS 86 -8.197 -11.571 5.250 705 1HE LYS 86 HE2 LYS 86 -6.436 -13.732 6.344 706 2HE LYS 86 HE3 LYS 86 -8.112 -13.554 6.862 707 1HZ LYS 86 HZ1 LYS 86 -8.095 -15.113 5.118 708 2HZ LYS 86 HZ2 LYS 86 -7.100 -14.156 4.136 709 3HZ LYS 86 HZ3 LYS 86 -8.703 -13.684 4.440 710 H PHE 87 HN PHE 87 -5.988 -7.292 4.081 711 HA PHE 87 HA PHE 87 -4.274 -5.967 5.970 712 1HB PHE 87 HB2 PHE 87 -3.619 -4.110 4.466 713 2HB PHE 87 HB3 PHE 87 -2.894 -5.646 4.010 714 HD1 PHE 87 HD1 PHE 87 -3.425 -6.693 1.925 715 HD2 PHE 87 HD2 PHE 87 -5.381 -3.102 3.096 716 HE1 PHE 87 HE1 PHE 87 -4.265 -6.404 -0.367 717 HE2 PHE 87 HE2 PHE 87 -6.227 -2.811 0.805 718 HZ PHE 87 HZ PHE 87 -5.669 -4.464 -0.931 719 H CYS 88 HN CYS 88 -5.136 -3.987 6.729 720 HA CYS 88 HA CYS 88 -7.984 -3.680 6.065 721 1HB CYS 88 HB2 CYS 88 -7.042 -4.061 8.514 722 2HB CYS 88 HB3 CYS 88 -6.687 -2.341 8.410 723 H VAL 89 HN VAL 89 -8.593 -1.959 4.935 724 HA VAL 89 HA VAL 89 -6.750 0.334 4.818 725 HB VAL 89 HB VAL 89 -7.955 0.896 2.646 726 1HG1 VAL 89 HG11 VAL 89 -6.584 -0.679 1.333 727 2HG1 VAL 89 HG12 VAL 89 -5.691 0.053 2.666 728 3HG1 VAL 89 HG13 VAL 89 -6.277 -1.604 2.802 729 1HG2 VAL 89 HG21 VAL 89 -9.018 -0.962 1.453 730 2HG2 VAL 89 HG22 VAL 89 -8.827 -1.986 2.877 731 3HG2 VAL 89 HG23 VAL 89 -9.885 -0.580 2.942 732 H THR 90 HN THR 90 -7.533 2.365 5.171 733 HA THR 90 HA THR 90 -10.099 2.562 6.466 734 HB THR 90 HB THR 90 -8.147 4.759 5.724 735 HG1 THR 90 HG1 THR 90 -8.497 3.254 8.130 736 1HG2 THR 90 HG21 THR 90 -9.327 6.069 7.435 737 2HG2 THR 90 HG22 THR 90 -10.464 4.739 7.664 738 3HG2 THR 90 HG23 THR 90 -10.408 5.596 6.124 739 H CYS 91 HN CYS 91 -11.840 2.492 5.164 740 HA CYS 91 HA CYS 91 -11.694 3.610 2.485 741 1HB CYS 91 HB2 CYS 91 -13.914 2.110 3.881 742 2HB CYS 91 HB3 CYS 91 -13.858 2.515 2.166 743 H GLU 92 HN GLU 92 -12.590 5.449 1.848 744 HA GLU 92 HA GLU 92 -14.804 6.589 3.349 745 1HB GLU 92 HB2 GLU 92 -12.557 7.506 4.215 746 2HB GLU 92 HB3 GLU 92 -12.438 8.320 2.668 747 1HG GLU 92 HG2 GLU 92 -14.601 9.425 3.122 748 2HG GLU 92 HG3 GLU 92 -14.598 8.682 4.721 749 H ASN 93 HN ASN 93 -16.292 7.272 1.955 750 HA ASN 93 HA ASN 93 -17.360 7.793 0.021 751 1HB ASN 93 HB2 ASN 93 -14.701 9.028 -0.738 752 2HB ASN 93 HB3 ASN 93 -16.226 9.304 -1.573 753 1HD2 ASN 93 HD21 ASN 93 -14.286 10.061 1.150 754 2HD2 ASN 93 HD22 ASN 93 -15.314 11.277 1.829 755 H GLN 94 HN GLN 94 -16.224 5.265 0.283 756 HA GLN 94 HA GLN 94 -15.973 3.344 -0.868 757 1HB GLN 94 HB2 GLN 94 -16.744 4.974 -3.289 758 2HB GLN 94 HB3 GLN 94 -16.728 3.220 -3.189 759 1HG GLN 94 HG2 GLN 94 -18.421 3.426 -1.339 760 2HG GLN 94 HG3 GLN 94 -18.544 5.133 -1.761 761 1HE2 GLN 94 HE21 GLN 94 -18.037 4.454 -4.589 762 2HE2 GLN 94 HE22 GLN 94 -19.542 3.849 -5.195 763 H ALA 95 HN ALA 95 -13.759 5.262 -0.567 764 HA ALA 95 HA ALA 95 -11.959 3.885 -2.409 765 1HB ALA 95 HB1 ALA 95 -11.932 6.882 -2.040 766 2HB ALA 95 HB2 ALA 95 -10.782 5.940 -2.990 767 3HB ALA 95 HB3 ALA 95 -12.473 6.028 -3.485 768 HA PRO 96 HA PRO 96 -9.564 3.457 1.358 769 1HB PRO 96 HB2 PRO 96 -7.356 3.026 -0.555 770 2HB PRO 96 HB3 PRO 96 -7.936 1.981 0.745 771 1HG PRO 96 HG2 PRO 96 -8.395 1.429 -1.854 772 2HG PRO 96 HG3 PRO 96 -9.548 1.010 -0.581 773 1HD PRO 96 HD2 PRO 96 -9.659 3.194 -2.583 774 2HD PRO 96 HD3 PRO 96 -10.974 2.262 -1.850 775 H VAL 97 HN VAL 97 -8.912 5.221 2.439 776 HA VAL 97 HA VAL 97 -7.374 7.264 0.976 777 HB VAL 97 HB VAL 97 -8.145 8.899 2.638 778 1HG1 VAL 97 HG11 VAL 97 -10.359 7.334 1.320 779 2HG1 VAL 97 HG12 VAL 97 -10.519 8.965 1.969 780 3HG1 VAL 97 HG13 VAL 97 -9.435 8.658 0.612 781 1HG2 VAL 97 HG21 VAL 97 -9.782 6.618 3.734 782 2HG2 VAL 97 HG22 VAL 97 -8.434 7.415 4.542 783 3HG2 VAL 97 HG23 VAL 97 -9.921 8.308 4.221 784 H HIS 98 HN HIS 98 -7.396 5.210 3.778 785 HA HIS 98 HA HIS 98 -4.654 6.077 4.388 786 1HB HIS 98 HB2 HIS 98 -6.945 5.787 6.310 787 2HB HIS 98 HB3 HIS 98 -5.295 5.519 6.853 788 HD1 HIS 98 HD1 HIS 98 -4.183 7.504 7.760 789 HD2 HIS 98 HD2 HIS 98 -7.237 8.522 5.130 790 HE1 HIS 98 HE1 HIS 98 -4.332 10.013 7.831 791 HE2 HIS 98 HE2 HIS 98 -6.384 10.560 6.476 792 H PHE 99 HN PHE 99 -3.351 4.436 5.391 793 HA PHE 99 HA PHE 99 -4.392 1.729 4.876 794 1HB PHE 99 HB2 PHE 99 -2.422 2.467 3.500 795 2HB PHE 99 HB3 PHE 99 -1.492 2.589 4.989 796 HD1 PHE 99 HD1 PHE 99 -0.376 0.744 5.823 797 HD2 PHE 99 HD2 PHE 99 -3.463 0.186 2.947 798 HE1 PHE 99 HE1 PHE 99 0.212 -1.637 5.665 799 HE2 PHE 99 HE2 PHE 99 -2.883 -2.201 2.780 800 HZ PHE 99 HZ PHE 99 -1.062 -3.119 4.108 801 H VAL 100 HN VAL 100 -4.758 0.522 6.599 802 HA VAL 100 HA VAL 100 -3.995 1.531 9.203 803 HB VAL 100 HB VAL 100 -5.652 -0.883 8.452 804 1HG1 VAL 100 HG11 VAL 100 -4.722 -1.165 10.649 805 2HG1 VAL 100 HG12 VAL 100 -5.227 0.462 11.114 806 3HG1 VAL 100 HG13 VAL 100 -6.439 -0.779 10.790 807 1HG2 VAL 100 HG21 VAL 100 -6.503 1.879 9.330 808 2HG2 VAL 100 HG22 VAL 100 -6.683 1.202 7.712 809 3HG2 VAL 100 HG23 VAL 100 -7.581 0.511 9.062 810 H GLY 101 HN GLY 101 -3.862 -1.739 7.769 811 1HA GLY 101 HA1 GLY 101 -1.136 -2.190 8.099 812 2HA GLY 101 HA2 GLY 101 -1.918 -2.707 9.587 813 H VAL 102 HN VAL 102 -0.663 -4.654 8.274 814 HA VAL 102 HA VAL 102 -2.621 -5.867 6.484 815 HB VAL 102 HB VAL 102 -0.983 -7.224 5.583 816 1HG1 VAL 102 HG11 VAL 102 0.373 -4.628 6.253 817 2HG1 VAL 102 HG12 VAL 102 0.857 -5.734 4.967 818 3HG1 VAL 102 HG13 VAL 102 -0.712 -4.932 4.895 819 1HG2 VAL 102 HG21 VAL 102 1.041 -6.533 7.677 820 2HG2 VAL 102 HG22 VAL 102 -0.056 -7.906 7.845 821 3HG2 VAL 102 HG23 VAL 102 1.069 -7.846 6.489 822 H GLY 103 HN GLY 103 -3.115 -8.125 6.662 823 1HA GLY 103 HA1 GLY 103 -3.508 -10.090 7.895 824 2HA GLY 103 HA2 GLY 103 -2.847 -9.302 9.322 825 H SER 104 HN SER 104 -4.130 -7.664 10.343 826 HA SER 104 HA SER 104 -6.888 -7.309 9.578 827 1HB SER 104 HB2 SER 104 -6.120 -8.616 12.208 828 2HB SER 104 HB3 SER 104 -7.710 -7.946 11.858 829 HG SER 104 HG SER 104 -6.988 -9.614 9.881 830 H CYS 105 HN CYS 105 -7.842 -5.531 10.814 831 HA CYS 105 HA CYS 105 -5.755 -3.735 11.732 832 1HB CYS 105 HB2 CYS 105 -7.809 -2.111 11.771 833 2HB CYS 105 HB3 CYS 105 -7.001 -2.539 10.269 Start of MODEL 3 1 1H MET 1 H1 MET 1 -6.665 16.082 -0.208 2 2H MET 1 H2 MET 1 -6.999 14.942 0.997 3 3H MET 1 H3 MET 1 -6.734 14.432 -0.598 4 HA MET 1 HA MET 1 -4.456 15.190 -0.494 5 1HB MET 1 HB2 MET 1 -5.214 15.885 2.349 6 2HB MET 1 HB3 MET 1 -3.550 15.741 1.800 7 1HG MET 1 HG2 MET 1 -4.191 18.052 1.850 8 2HG MET 1 HG3 MET 1 -3.946 17.543 0.181 9 1HE MET 1 HE1 MET 1 -6.785 20.186 -0.210 10 2HE MET 1 HE2 MET 1 -5.452 20.252 0.945 11 3HE MET 1 HE3 MET 1 -5.167 19.684 -0.701 12 H GLN 2 HN GLN 2 -5.687 13.845 2.581 13 HA GLN 2 HA GLN 2 -4.241 11.376 2.085 14 1HB GLN 2 HB2 GLN 2 -6.073 12.211 4.344 15 2HB GLN 2 HB3 GLN 2 -5.335 10.622 4.228 16 1HG GLN 2 HG2 GLN 2 -4.008 11.828 5.725 17 2HG GLN 2 HG3 GLN 2 -3.104 11.799 4.213 18 1HE2 GLN 2 HE21 GLN 2 -4.978 13.756 6.404 19 2HE2 GLN 2 HE22 GLN 2 -4.465 15.290 5.778 20 H ASP 3 HN ASP 3 -5.334 10.871 0.122 21 HA ASP 3 HA ASP 3 -7.895 9.565 0.521 22 1HB ASP 3 HB2 ASP 3 -8.969 10.712 -1.350 23 2HB ASP 3 HB3 ASP 3 -8.494 11.871 -0.116 24 H TRP 4 HN TRP 4 -8.519 9.114 -2.101 25 HA TRP 4 HA TRP 4 -7.185 6.739 -2.542 26 1HB TRP 4 HB2 TRP 4 -9.442 7.272 -3.356 27 2HB TRP 4 HB3 TRP 4 -8.754 8.395 -4.524 28 HD1 TRP 4 HD1 TRP 4 -9.031 7.321 -6.825 29 HE1 TRP 4 HE1 TRP 4 -8.604 4.993 -7.843 30 HE3 TRP 4 HE3 TRP 4 -7.639 4.828 -2.582 31 HZ2 TRP 4 HZ2 TRP 4 -7.776 2.447 -6.954 32 HZ3 TRP 4 HZ3 TRP 4 -7.053 2.444 -2.754 33 HH2 TRP 4 HH2 TRP 4 -7.113 1.285 -4.897 34 H LEU 5 HN LEU 5 -6.556 9.916 -4.012 35 HA LEU 5 HA LEU 5 -4.856 8.982 -6.056 36 1HB LEU 5 HB2 LEU 5 -5.197 11.633 -4.705 37 2HB LEU 5 HB3 LEU 5 -3.919 11.393 -5.878 38 HG LEU 5 HG LEU 5 -5.846 12.431 -6.914 39 1HD1 LEU 5 HD11 LEU 5 -6.195 10.859 -8.759 40 2HD1 LEU 5 HD12 LEU 5 -4.498 10.968 -8.288 41 3HD1 LEU 5 HD13 LEU 5 -5.465 9.580 -7.790 42 1HD2 LEU 5 HD21 LEU 5 -7.599 11.587 -5.451 43 2HD2 LEU 5 HD22 LEU 5 -7.975 11.271 -7.145 44 3HD2 LEU 5 HD23 LEU 5 -7.380 9.969 -6.115 45 H THR 6 HN THR 6 -4.089 10.236 -2.816 46 HA THR 6 HA THR 6 -1.283 9.840 -3.125 47 HB THR 6 HB THR 6 -2.879 10.210 -0.579 48 HG1 THR 6 HG1 THR 6 -2.827 12.303 -1.019 49 1HG2 THR 6 HG21 THR 6 -0.625 9.322 -0.181 50 2HG2 THR 6 HG22 THR 6 -0.756 10.992 0.370 51 3HG2 THR 6 HG23 THR 6 0.063 10.625 -1.148 52 H PHE 7 HN PHE 7 -3.942 7.969 -1.798 53 HA PHE 7 HA PHE 7 -2.489 5.952 -0.511 54 1HB PHE 7 HB2 PHE 7 -4.979 6.296 -0.379 55 2HB PHE 7 HB3 PHE 7 -5.109 5.609 -1.993 56 HD1 PHE 7 HD1 PHE 7 -4.637 4.921 1.528 57 HD2 PHE 7 HD2 PHE 7 -4.583 3.235 -2.380 58 HE1 PHE 7 HE1 PHE 7 -4.741 2.666 2.503 59 HE2 PHE 7 HE2 PHE 7 -4.691 0.973 -1.409 60 HZ PHE 7 HZ PHE 7 -4.771 0.688 1.036 61 H GLN 8 HN GLN 8 -3.550 6.297 -3.857 62 HA GLN 8 HA GLN 8 -2.764 3.828 -4.856 63 1HB GLN 8 HB2 GLN 8 -3.188 6.531 -6.003 64 2HB GLN 8 HB3 GLN 8 -2.398 5.319 -6.991 65 1HG GLN 8 HG2 GLN 8 -4.331 3.837 -6.679 66 2HG GLN 8 HG3 GLN 8 -5.116 5.102 -5.727 67 1HE2 GLN 8 HE21 GLN 8 -5.829 6.969 -6.759 68 2HE2 GLN 8 HE22 GLN 8 -6.071 7.035 -8.476 69 H LYS 9 HN LYS 9 -1.002 6.901 -5.225 70 HA LYS 9 HA LYS 9 1.228 5.860 -6.473 71 1HB LYS 9 HB2 LYS 9 1.048 8.247 -4.640 72 2HB LYS 9 HB3 LYS 9 2.361 7.930 -5.768 73 1HG LYS 9 HG2 LYS 9 0.905 8.158 -7.637 74 2HG LYS 9 HG3 LYS 9 -0.514 8.247 -6.594 75 1HD LYS 9 HD2 LYS 9 -0.004 10.452 -7.305 76 2HD LYS 9 HD3 LYS 9 0.466 10.319 -5.610 77 1HE LYS 9 HE2 LYS 9 2.782 10.041 -6.231 78 2HE LYS 9 HE3 LYS 9 2.353 10.021 -7.941 79 1HZ LYS 9 HZ1 LYS 9 2.067 12.322 -6.082 80 2HZ LYS 9 HZ2 LYS 9 1.542 12.309 -7.695 81 3HZ LYS 9 HZ3 LYS 9 3.193 12.170 -7.341 82 H LYS 10 HN LYS 10 0.426 5.906 -3.097 83 HA LYS 10 HA LYS 10 3.148 5.210 -2.325 84 1HB LYS 10 HB2 LYS 10 0.711 6.064 -0.822 85 2HB LYS 10 HB3 LYS 10 2.011 5.236 0.028 86 1HG LYS 10 HG2 LYS 10 3.585 6.956 -0.748 87 2HG LYS 10 HG3 LYS 10 2.249 7.798 -1.536 88 1HD LYS 10 HD2 LYS 10 1.215 8.290 0.534 89 2HD LYS 10 HD3 LYS 10 2.254 7.158 1.404 90 1HE LYS 10 HE2 LYS 10 4.187 8.561 0.966 91 2HE LYS 10 HE3 LYS 10 3.195 9.664 0.018 92 1HZ LYS 10 HZ1 LYS 10 2.231 10.541 1.868 93 2HZ LYS 10 HZ2 LYS 10 3.757 10.156 2.503 94 3HZ LYS 10 HZ3 LYS 10 2.433 9.140 2.803 95 H HIS 11 HN HIS 11 0.203 3.496 -2.956 96 HA HIS 11 HA HIS 11 1.411 1.186 -1.591 97 1HB HIS 11 HB2 HIS 11 -1.459 2.058 -1.334 98 2HB HIS 11 HB3 HIS 11 -0.877 0.470 -0.850 99 HD1 HIS 11 HD1 HIS 11 1.158 0.595 1.026 100 HD2 HIS 11 HD2 HIS 11 -1.328 3.914 0.637 101 HE1 HIS 11 HE1 HIS 11 1.439 1.908 3.153 102 HE2 HIS 11 HE2 HIS 11 -0.166 3.839 2.948 103 H ILE 12 HN ILE 12 0.069 2.306 -4.466 104 HA ILE 12 HA ILE 12 -0.819 -0.389 -5.212 105 HB ILE 12 HB ILE 12 -1.203 2.229 -6.675 106 1HG1 ILE 12 HG12 ILE 12 -2.550 2.068 -4.644 107 2HG1 ILE 12 HG13 ILE 12 -3.572 1.958 -6.069 108 1HG2 ILE 12 HG21 ILE 12 -2.710 0.965 -8.144 109 2HG2 ILE 12 HG22 ILE 12 -1.046 0.386 -8.243 110 3HG2 ILE 12 HG23 ILE 12 -2.243 -0.524 -7.322 111 1HD1 ILE 12 HD11 ILE 12 -4.267 0.390 -4.357 112 2HD1 ILE 12 HD12 ILE 12 -3.692 -0.461 -5.792 113 3HD1 ILE 12 HD13 ILE 12 -2.665 -0.349 -4.363 114 H THR 13 HN THR 13 0.683 -1.648 -6.045 115 HA THR 13 HA THR 13 2.427 -0.522 -8.117 116 HB THR 13 HB THR 13 3.732 -0.829 -5.994 117 HG1 THR 13 HG1 THR 13 4.704 -0.977 -8.099 118 1HG2 THR 13 HG21 THR 13 2.596 -2.822 -5.137 119 2HG2 THR 13 HG22 THR 13 4.329 -3.102 -5.311 120 3HG2 THR 13 HG23 THR 13 3.207 -3.758 -6.503 121 H ASN 14 HN ASN 14 2.995 -2.018 -9.796 122 HA ASN 14 HA ASN 14 1.191 -4.351 -9.876 123 1HB ASN 14 HB2 ASN 14 1.033 -2.373 -11.593 124 2HB ASN 14 HB3 ASN 14 2.412 -3.171 -12.345 125 1HD2 ASN 14 HD21 ASN 14 -0.229 -4.753 -10.656 126 2HD2 ASN 14 HD22 ASN 14 -0.879 -5.570 -12.038 127 H THR 15 HN THR 15 3.969 -4.105 -8.782 128 HA THR 15 HA THR 15 5.017 -6.440 -10.208 129 HB THR 15 HB THR 15 6.372 -4.610 -11.016 130 HG1 THR 15 HG1 THR 15 8.413 -5.317 -9.618 131 1HG2 THR 15 HG21 THR 15 7.690 -3.191 -9.519 132 2HG2 THR 15 HG22 THR 15 6.932 -3.960 -8.124 133 3HG2 THR 15 HG23 THR 15 5.961 -2.992 -9.232 134 H ARG 16 HN ARG 16 5.826 -8.035 -8.896 135 HA ARG 16 HA ARG 16 5.206 -7.931 -6.113 136 1HB ARG 16 HB2 ARG 16 6.752 -9.924 -7.772 137 2HB ARG 16 HB3 ARG 16 6.500 -10.122 -6.044 138 1HG ARG 16 HG2 ARG 16 4.301 -9.886 -8.083 139 2HG ARG 16 HG3 ARG 16 4.904 -11.403 -7.406 140 1HD ARG 16 HD2 ARG 16 3.840 -9.158 -5.717 141 2HD ARG 16 HD3 ARG 16 2.817 -10.450 -6.337 142 HE ARG 16 HE ARG 16 4.426 -11.974 -5.081 143 1HH1 ARG 16 HH12 ARG 16 3.810 -8.668 -4.080 144 2HH1 ARG 16 HH11 ARG 16 3.987 -9.013 -2.390 145 1HH2 ARG 16 HH22 ARG 16 4.644 -12.428 -2.844 146 2HH2 ARG 16 HH21 ARG 16 4.420 -11.149 -1.693 147 H ASP 17 HN ASP 17 7.941 -7.124 -7.995 148 HA ASP 17 HA ASP 17 9.507 -6.677 -5.540 149 1HB ASP 17 HB2 ASP 17 10.409 -8.384 -7.233 150 2HB ASP 17 HB3 ASP 17 10.686 -7.016 -8.302 151 H VAL 18 HN VAL 18 8.588 -4.630 -5.257 152 HA VAL 18 HA VAL 18 8.871 -2.637 -7.317 153 HB VAL 18 HB VAL 18 6.980 -2.279 -5.951 154 1HG1 VAL 18 HG11 VAL 18 8.779 -2.504 -3.542 155 2HG1 VAL 18 HG12 VAL 18 7.086 -2.007 -3.495 156 3HG1 VAL 18 HG13 VAL 18 7.514 -3.634 -4.031 157 1HG2 VAL 18 HG21 VAL 18 8.100 -0.223 -6.485 158 2HG2 VAL 18 HG22 VAL 18 7.418 -0.103 -4.863 159 3HG2 VAL 18 HG23 VAL 18 9.149 -0.382 -5.076 160 H ASP 19 HN ASP 19 10.561 -1.294 -7.617 161 HA ASP 19 HA ASP 19 12.929 -1.747 -6.086 162 1HB ASP 19 HB2 ASP 19 13.033 -1.232 -8.510 163 2HB ASP 19 HB3 ASP 19 12.452 0.395 -8.166 164 H CYS 20 HN CYS 20 12.309 -1.226 -4.047 165 HA CYS 20 HA CYS 20 11.234 1.086 -3.057 166 1HB CYS 20 HB2 CYS 20 13.515 -0.296 -1.681 167 2HB CYS 20 HB3 CYS 20 12.074 0.430 -0.980 168 H ASP 21 HN ASP 21 14.600 0.394 -3.816 169 HA ASP 21 HA ASP 21 15.960 2.480 -2.748 170 1HB ASP 21 HB2 ASP 21 17.120 0.761 -3.945 171 2HB ASP 21 HB3 ASP 21 16.345 1.214 -5.460 172 H ASN 22 HN ASN 22 14.717 2.610 -6.111 173 HA ASN 22 HA ASN 22 15.274 5.424 -6.260 174 1HB ASN 22 HB2 ASN 22 15.400 3.926 -8.224 175 2HB ASN 22 HB3 ASN 22 13.664 3.689 -8.134 176 1HD2 ASN 22 HD21 ASN 22 13.348 4.526 -10.191 177 2HD2 ASN 22 HD22 ASN 22 13.497 6.214 -10.534 178 H ILE 23 HN ILE 23 12.323 3.493 -6.198 179 HA ILE 23 HA ILE 23 10.540 5.605 -6.575 180 HB ILE 23 HB ILE 23 10.086 2.944 -5.229 181 1HG1 ILE 23 HG12 ILE 23 9.538 3.963 -8.028 182 2HG1 ILE 23 HG13 ILE 23 10.789 2.813 -7.568 183 1HG2 ILE 23 HG21 ILE 23 8.044 4.952 -6.186 184 2HG2 ILE 23 HG22 ILE 23 7.694 3.329 -5.589 185 3HG2 ILE 23 HG23 ILE 23 8.382 4.540 -4.504 186 1HD1 ILE 23 HD11 ILE 23 8.885 1.710 -8.605 187 2HD1 ILE 23 HD12 ILE 23 9.083 1.204 -6.927 188 3HD1 ILE 23 HD13 ILE 23 7.823 2.361 -7.356 189 H LEU 24 HN LEU 24 11.912 4.344 -3.555 190 HA LEU 24 HA LEU 24 10.123 5.986 -1.982 191 1HB LEU 24 HB2 LEU 24 12.528 4.442 -1.041 192 2HB LEU 24 HB3 LEU 24 11.247 5.098 -0.042 193 HG LEU 24 HG LEU 24 11.027 2.807 -1.991 194 1HD1 LEU 24 HD11 LEU 24 10.519 1.497 -0.018 195 2HD1 LEU 24 HD12 LEU 24 12.095 2.274 0.140 196 3HD1 LEU 24 HD13 LEU 24 10.699 2.929 0.997 197 1HD2 LEU 24 HD21 LEU 24 8.984 4.069 -2.105 198 2HD2 LEU 24 HD22 LEU 24 8.717 2.590 -1.179 199 3HD2 LEU 24 HD23 LEU 24 8.886 4.135 -0.343 200 H SER 25 HN SER 25 13.026 6.493 -3.599 201 HA SER 25 HA SER 25 14.103 8.457 -1.777 202 1HB SER 25 HB2 SER 25 14.810 7.729 -4.626 203 2HB SER 25 HB3 SER 25 15.656 8.963 -3.697 204 HG SER 25 HG SER 25 15.493 6.177 -3.164 205 H THR 26 HN THR 26 11.542 8.429 -3.889 206 HA THR 26 HA THR 26 11.795 11.008 -5.073 207 HB THR 26 HB THR 26 9.419 10.744 -5.681 208 HG1 THR 26 HG1 THR 26 9.367 8.161 -4.567 209 1HG2 THR 26 HG21 THR 26 11.110 9.713 -7.100 210 2HG2 THR 26 HG22 THR 26 9.655 8.718 -7.051 211 3HG2 THR 26 HG23 THR 26 11.072 8.255 -6.109 212 H ASN 27 HN ASN 27 10.169 12.735 -4.701 213 HA ASN 27 HA ASN 27 10.031 13.490 -1.952 214 1HB ASN 27 HB2 ASN 27 8.942 14.676 -4.515 215 2HB ASN 27 HB3 ASN 27 8.851 15.447 -2.953 216 1HD2 ASN 27 HD21 ASN 27 10.188 16.259 -5.425 217 2HD2 ASN 27 HD22 ASN 27 11.851 16.508 -5.008 218 H LEU 28 HN LEU 28 8.595 11.101 -2.862 219 HA LEU 28 HA LEU 28 5.806 11.785 -2.241 220 1HB LEU 28 HB2 LEU 28 6.199 10.773 -4.469 221 2HB LEU 28 HB3 LEU 28 6.945 9.389 -3.698 222 HG LEU 28 HG LEU 28 4.758 8.910 -2.586 223 1HD1 LEU 28 HD11 LEU 28 3.852 11.180 -2.722 224 2HD1 LEU 28 HD12 LEU 28 3.744 11.024 -4.476 225 3HD1 LEU 28 HD13 LEU 28 2.760 9.988 -3.438 226 1HD2 LEU 28 HD21 LEU 28 5.435 7.710 -4.581 227 2HD2 LEU 28 HD22 LEU 28 3.699 8.016 -4.615 228 3HD2 LEU 28 HD23 LEU 28 4.785 8.994 -5.600 229 H PHE 29 HN PHE 29 8.652 10.261 -1.236 230 HA PHE 29 HA PHE 29 7.265 8.960 0.999 231 1HB PHE 29 HB2 PHE 29 9.521 7.737 -0.622 232 2HB PHE 29 HB3 PHE 29 8.874 7.069 0.871 233 HD1 PHE 29 HD1 PHE 29 8.506 7.319 -2.684 234 HD2 PHE 29 HD2 PHE 29 6.499 6.263 0.911 235 HE1 PHE 29 HE1 PHE 29 6.845 6.055 -3.985 236 HE2 PHE 29 HE2 PHE 29 4.835 4.997 -0.378 237 HZ PHE 29 HZ PHE 29 4.997 4.895 -2.825 238 H HIS 30 HN HIS 30 10.151 10.276 -0.444 239 HA HIS 30 HA HIS 30 11.869 11.494 0.351 240 1HB HIS 30 HB2 HIS 30 10.158 11.849 2.824 241 2HB HIS 30 HB3 HIS 30 11.559 12.783 2.363 242 HD1 HIS 30 HD1 HIS 30 7.982 12.875 2.187 243 HD2 HIS 30 HD2 HIS 30 11.152 14.310 -0.093 244 HE1 HIS 30 HE1 HIS 30 7.028 14.734 0.788 245 HE2 HIS 30 HE2 HIS 30 9.023 15.743 -0.386 246 H CYS 31 HN CYS 31 11.885 8.692 0.697 247 HA CYS 31 HA CYS 31 12.940 6.991 1.736 248 1HB CYS 31 HB2 CYS 31 14.679 9.163 2.925 249 2HB CYS 31 HB3 CYS 31 15.084 7.459 2.780 250 H LYS 32 HN LYS 32 10.730 7.154 2.971 251 HA LYS 32 HA LYS 32 10.886 7.658 5.775 252 1HB LYS 32 HB2 LYS 32 8.695 6.905 5.917 253 2HB LYS 32 HB3 LYS 32 8.777 7.511 4.274 254 1HG LYS 32 HG2 LYS 32 9.214 4.606 4.869 255 2HG LYS 32 HG3 LYS 32 7.595 5.271 4.726 256 1HD LYS 32 HD2 LYS 32 7.932 4.578 2.584 257 2HD LYS 32 HD3 LYS 32 8.544 6.228 2.467 258 1HE LYS 32 HE2 LYS 32 10.006 4.540 1.401 259 2HE LYS 32 HE3 LYS 32 10.805 5.466 2.669 260 1HZ LYS 32 HZ1 LYS 32 10.556 3.636 4.173 261 2HZ LYS 32 HZ2 LYS 32 11.291 3.071 2.761 262 3HZ LYS 32 HZ3 LYS 32 9.654 2.753 3.045 263 H ASP 33 HN ASP 33 10.380 5.784 7.357 264 HA ASP 33 HA ASP 33 12.590 4.049 7.380 265 1HB ASP 33 HB2 ASP 33 11.339 4.699 9.413 266 2HB ASP 33 HB3 ASP 33 9.964 3.746 8.866 267 H LYS 34 HN LYS 34 9.141 3.189 6.896 268 HA LYS 34 HA LYS 34 9.973 1.287 4.858 269 1HB LYS 34 HB2 LYS 34 8.786 -0.586 5.919 270 2HB LYS 34 HB3 LYS 34 10.152 -0.027 6.876 271 1HG LYS 34 HG2 LYS 34 8.376 1.401 8.108 272 2HG LYS 34 HG3 LYS 34 7.232 0.252 7.405 273 1HD LYS 34 HD2 LYS 34 9.622 -0.446 9.092 274 2HD LYS 34 HD3 LYS 34 7.949 -0.422 9.646 275 1HE LYS 34 HE2 LYS 34 8.974 -2.168 7.409 276 2HE LYS 34 HE3 LYS 34 8.809 -2.702 9.081 277 1HZ LYS 34 HZ1 LYS 34 6.610 -1.770 7.310 278 2HZ LYS 34 HZ2 LYS 34 6.433 -2.212 8.937 279 3HZ LYS 34 HZ3 LYS 34 6.905 -3.371 7.794 280 H ASN 35 HN ASN 35 8.141 0.260 3.754 281 HA ASN 35 HA ASN 35 5.520 1.436 4.075 282 1HB ASN 35 HB2 ASN 35 6.678 3.128 2.662 283 2HB ASN 35 HB3 ASN 35 7.033 1.869 1.486 284 1HD2 ASN 35 HD21 ASN 35 5.859 2.760 -0.167 285 2HD2 ASN 35 HD22 ASN 35 4.132 2.858 -0.160 286 H THR 36 HN THR 36 3.978 0.026 3.382 287 HA THR 36 HA THR 36 4.913 -2.424 2.070 288 HB THR 36 HB THR 36 2.246 -1.990 3.423 289 HG1 THR 36 HG1 THR 36 4.758 -2.824 4.497 290 1HG2 THR 36 HG21 THR 36 3.810 -4.474 2.705 291 2HG2 THR 36 HG22 THR 36 2.322 -3.913 1.941 292 3HG2 THR 36 HG23 THR 36 2.302 -4.455 3.619 293 H PHE 37 HN PHE 37 4.585 -2.543 -0.060 294 HA PHE 37 HA PHE 37 2.454 -0.963 -1.295 295 1HB PHE 37 HB2 PHE 37 4.694 -2.581 -2.527 296 2HB PHE 37 HB3 PHE 37 3.500 -1.673 -3.443 297 HD1 PHE 37 HD1 PHE 37 6.254 -1.322 -0.976 298 HD2 PHE 37 HD2 PHE 37 3.797 0.594 -3.884 299 HE1 PHE 37 HE1 PHE 37 7.651 0.692 -0.831 300 HE2 PHE 37 HE2 PHE 37 5.207 2.606 -3.750 301 HZ PHE 37 HZ PHE 37 7.214 2.596 -2.295 302 H ILE 38 HN ILE 38 0.979 -1.887 -2.742 303 HA ILE 38 HA ILE 38 0.314 -4.690 -2.133 304 HB ILE 38 HB ILE 38 -1.521 -2.488 -3.104 305 1HG1 ILE 38 HG12 ILE 38 -1.402 -3.664 -0.323 306 2HG1 ILE 38 HG13 ILE 38 -0.551 -2.191 -0.773 307 1HG2 ILE 38 HG21 ILE 38 -2.267 -4.718 -3.735 308 2HG2 ILE 38 HG22 ILE 38 -2.121 -5.256 -2.062 309 3HG2 ILE 38 HG23 ILE 38 -3.322 -4.039 -2.495 310 1HD1 ILE 38 HD11 ILE 38 -3.525 -2.615 -0.896 311 2HD1 ILE 38 HD12 ILE 38 -2.652 -1.689 0.324 312 3HD1 ILE 38 HD13 ILE 38 -2.673 -1.141 -1.352 313 H TYR 39 HN TYR 39 0.740 -6.030 -3.740 314 HA TYR 39 HA TYR 39 1.110 -5.143 -6.449 315 1HB TYR 39 HB2 TYR 39 2.512 -6.937 -5.599 316 2HB TYR 39 HB3 TYR 39 1.098 -7.895 -5.196 317 HD1 TYR 39 HD1 TYR 39 2.777 -6.320 -8.124 318 HD2 TYR 39 HD2 TYR 39 0.356 -9.499 -6.690 319 HE1 TYR 39 HE1 TYR 39 2.869 -7.370 -10.335 320 HE2 TYR 39 HE2 TYR 39 0.446 -10.569 -8.899 321 HH TYR 39 HH TYR 39 2.623 -9.857 -11.220 322 H SER 40 HN SER 40 -0.846 -4.323 -7.061 323 HA SER 40 HA SER 40 -2.634 -6.047 -8.329 324 1HB SER 40 HB2 SER 40 -3.294 -6.377 -5.836 325 2HB SER 40 HB3 SER 40 -3.921 -4.734 -5.924 326 HG SER 40 HG SER 40 -4.943 -7.065 -6.946 327 H ARG 41 HN ARG 41 -4.467 -4.735 -9.281 328 HA ARG 41 HA ARG 41 -3.492 -2.097 -9.889 329 1HB ARG 41 HB2 ARG 41 -5.828 -3.716 -10.858 330 2HB ARG 41 HB3 ARG 41 -5.706 -2.007 -11.233 331 1HG ARG 41 HG2 ARG 41 -3.610 -4.056 -11.893 332 2HG ARG 41 HG3 ARG 41 -4.824 -3.450 -13.022 333 1HD ARG 41 HD2 ARG 41 -3.949 -1.221 -12.845 334 2HD ARG 41 HD3 ARG 41 -2.848 -1.707 -11.561 335 HE ARG 41 HE ARG 41 -2.308 -3.246 -13.851 336 1HH1 ARG 41 HH12 ARG 41 -2.095 0.090 -12.764 337 2HH1 ARG 41 HH11 ARG 41 -0.666 0.417 -13.703 338 1HH2 ARG 41 HH22 ARG 41 -0.439 -2.795 -15.072 339 2HH2 ARG 41 HH21 ARG 41 0.266 -1.201 -15.017 340 HA PRO 42 HA PRO 42 -5.679 0.359 -7.027 341 1HB PRO 42 HB2 PRO 42 -6.763 2.297 -8.668 342 2HB PRO 42 HB3 PRO 42 -5.090 2.284 -8.114 343 1HG PRO 42 HG2 PRO 42 -6.244 1.379 -10.715 344 2HG PRO 42 HG3 PRO 42 -4.740 2.264 -10.402 345 1HD PRO 42 HD2 PRO 42 -4.741 -0.370 -10.927 346 2HD PRO 42 HD3 PRO 42 -3.600 0.352 -9.768 347 H GLU 43 HN GLU 43 -7.474 -0.757 -9.847 348 HA GLU 43 HA GLU 43 -9.995 0.130 -8.874 349 1HB GLU 43 HB2 GLU 43 -9.181 -1.710 -11.099 350 2HB GLU 43 HB3 GLU 43 -10.861 -1.403 -10.709 351 1HG GLU 43 HG2 GLU 43 -8.798 0.569 -11.639 352 2HG GLU 43 HG3 GLU 43 -10.260 0.058 -12.479 353 HA PRO 44 HA PRO 44 -10.648 -4.564 -7.681 354 1HB PRO 44 HB2 PRO 44 -8.290 -5.923 -7.249 355 2HB PRO 44 HB3 PRO 44 -9.267 -6.048 -8.711 356 1HG PRO 44 HG2 PRO 44 -6.821 -4.422 -8.193 357 2HG PRO 44 HG3 PRO 44 -7.280 -5.328 -9.646 358 1HD PRO 44 HD2 PRO 44 -7.554 -2.656 -9.509 359 2HD PRO 44 HD3 PRO 44 -8.713 -3.666 -10.373 360 H VAL 45 HN VAL 45 -8.103 -2.478 -6.551 361 HA VAL 45 HA VAL 45 -8.319 -3.462 -3.817 362 HB VAL 45 HB VAL 45 -6.734 -1.138 -4.941 363 1HG1 VAL 45 HG11 VAL 45 -7.315 -0.740 -2.607 364 2HG1 VAL 45 HG12 VAL 45 -6.690 -2.329 -2.169 365 3HG1 VAL 45 HG13 VAL 45 -5.595 -1.087 -2.776 366 1HG2 VAL 45 HG21 VAL 45 -4.792 -2.597 -4.506 367 2HG2 VAL 45 HG22 VAL 45 -5.896 -3.897 -4.060 368 3HG2 VAL 45 HG23 VAL 45 -5.891 -3.270 -5.709 369 H LYS 46 HN LYS 46 -9.285 -0.686 -5.754 370 HA LYS 46 HA LYS 46 -10.490 0.791 -3.656 371 1HB LYS 46 HB2 LYS 46 -9.860 1.605 -5.989 372 2HB LYS 46 HB3 LYS 46 -11.323 0.815 -6.557 373 1HG LYS 46 HG2 LYS 46 -12.670 2.246 -5.120 374 2HG LYS 46 HG3 LYS 46 -11.204 3.025 -4.514 375 1HD LYS 46 HD2 LYS 46 -10.694 3.572 -6.950 376 2HD LYS 46 HD3 LYS 46 -12.365 3.119 -7.283 377 1HE LYS 46 HE2 LYS 46 -13.160 4.824 -5.761 378 2HE LYS 46 HE3 LYS 46 -11.503 5.235 -5.319 379 1HZ LYS 46 HZ1 LYS 46 -12.890 5.704 -7.885 380 2HZ LYS 46 HZ2 LYS 46 -11.199 5.693 -7.792 381 3HZ LYS 46 HZ3 LYS 46 -12.087 6.825 -6.890 382 H ALA 47 HN ALA 47 -11.464 -1.911 -5.581 383 HA ALA 47 HA ALA 47 -14.242 -1.819 -5.236 384 1HB ALA 47 HB1 ALA 47 -14.224 -4.180 -5.828 385 2HB ALA 47 HB2 ALA 47 -13.121 -3.272 -6.861 386 3HB ALA 47 HB3 ALA 47 -12.485 -4.253 -5.542 387 H ILE 48 HN ILE 48 -11.712 -2.680 -3.041 388 HA ILE 48 HA ILE 48 -13.202 -4.229 -1.208 389 HB ILE 48 HB ILE 48 -10.884 -2.387 -0.569 390 1HG1 ILE 48 HG12 ILE 48 -10.818 -5.326 -1.284 391 2HG1 ILE 48 HG13 ILE 48 -10.441 -4.034 -2.419 392 1HG2 ILE 48 HG21 ILE 48 -10.517 -3.878 1.320 393 2HG2 ILE 48 HG22 ILE 48 -12.134 -3.175 1.385 394 3HG2 ILE 48 HG23 ILE 48 -11.918 -4.843 0.851 395 1HD1 ILE 48 HD11 ILE 48 -8.960 -4.655 0.123 396 2HD1 ILE 48 HD12 ILE 48 -8.422 -5.004 -1.518 397 3HD1 ILE 48 HD13 ILE 48 -8.589 -3.333 -0.984 398 H CYS 49 HN CYS 49 -12.770 -0.771 -1.669 399 HA CYS 49 HA CYS 49 -14.413 -0.205 0.684 400 1HB CYS 49 HB2 CYS 49 -12.769 1.597 -1.103 401 2HB CYS 49 HB3 CYS 49 -13.664 2.131 0.316 402 H LYS 50 HN LYS 50 -14.916 -0.850 -2.470 403 HA LYS 50 HA LYS 50 -16.611 1.226 -3.331 404 1HB LYS 50 HB2 LYS 50 -15.593 -0.507 -4.820 405 2HB LYS 50 HB3 LYS 50 -16.723 -1.680 -4.155 406 1HG LYS 50 HG2 LYS 50 -18.569 -0.611 -5.120 407 2HG LYS 50 HG3 LYS 50 -17.649 0.853 -5.467 408 1HD LYS 50 HD2 LYS 50 -17.228 -1.845 -6.757 409 2HD LYS 50 HD3 LYS 50 -18.046 -0.466 -7.495 410 1HE LYS 50 HE2 LYS 50 -15.917 0.834 -7.163 411 2HE LYS 50 HE3 LYS 50 -15.147 -0.683 -6.703 412 1HZ LYS 50 HZ1 LYS 50 -16.366 -0.025 -9.329 413 2HZ LYS 50 HZ2 LYS 50 -15.818 -1.570 -8.903 414 3HZ LYS 50 HZ3 LYS 50 -14.721 -0.280 -8.994 415 H GLY 51 HN GLY 51 -18.344 1.859 -2.294 416 1HA GLY 51 HA1 GLY 51 -20.669 1.414 -1.788 417 2HA GLY 51 HA2 GLY 51 -20.185 -0.181 -1.228 418 H ILE 52 HN ILE 52 -17.800 1.700 -0.129 419 HA ILE 52 HA ILE 52 -19.142 2.102 2.460 420 HB ILE 52 HB ILE 52 -16.165 2.144 2.033 421 1HG1 ILE 52 HG12 ILE 52 -16.924 -0.002 1.164 422 2HG1 ILE 52 HG13 ILE 52 -16.106 -0.228 2.703 423 1HG2 ILE 52 HG21 ILE 52 -16.115 1.550 4.405 424 2HG2 ILE 52 HG22 ILE 52 -17.002 3.049 4.128 425 3HG2 ILE 52 HG23 ILE 52 -17.878 1.551 4.440 426 1HD1 ILE 52 HD11 ILE 52 -18.072 -1.631 2.519 427 2HD1 ILE 52 HD12 ILE 52 -18.259 -0.451 3.819 428 3HD1 ILE 52 HD13 ILE 52 -19.080 -0.205 2.277 429 H ILE 53 HN ILE 53 -20.013 4.159 2.168 430 HA ILE 53 HA ILE 53 -18.380 6.291 1.123 431 HB ILE 53 HB ILE 53 -21.206 6.177 2.154 432 1HG1 ILE 53 HG12 ILE 53 -21.745 6.840 -0.152 433 2HG1 ILE 53 HG13 ILE 53 -20.039 6.836 -0.560 434 1HG2 ILE 53 HG21 ILE 53 -20.272 8.314 2.860 435 2HG2 ILE 53 HG22 ILE 53 -19.728 8.633 1.213 436 3HG2 ILE 53 HG23 ILE 53 -21.454 8.539 1.569 437 1HD1 ILE 53 HD11 ILE 53 -19.961 4.433 -0.135 438 2HD1 ILE 53 HD12 ILE 53 -21.683 4.452 0.255 439 3HD1 ILE 53 HD13 ILE 53 -21.142 4.847 -1.378 440 H ALA 54 HN ALA 54 -19.900 5.492 4.238 441 HA ALA 54 HA ALA 54 -18.711 7.685 5.619 442 1HB ALA 54 HB1 ALA 54 -20.757 6.620 6.426 443 2HB ALA 54 HB2 ALA 54 -19.865 5.127 6.727 444 3HB ALA 54 HB3 ALA 54 -19.487 6.583 7.650 445 H SER 55 HN SER 55 -16.825 7.861 6.616 446 HA SER 55 HA SER 55 -14.623 6.354 5.949 447 1HB SER 55 HB2 SER 55 -14.824 7.824 8.563 448 2HB SER 55 HB3 SER 55 -13.450 7.706 7.464 449 HG SER 55 HG SER 55 -14.153 9.399 6.464 450 H LYS 56 HN LYS 56 -14.427 4.211 6.321 451 HA LYS 56 HA LYS 56 -14.875 3.221 9.056 452 1HB LYS 56 HB2 LYS 56 -16.834 2.836 7.417 453 2HB LYS 56 HB3 LYS 56 -15.776 1.671 6.639 454 1HG LYS 56 HG2 LYS 56 -15.563 0.607 8.961 455 2HG LYS 56 HG3 LYS 56 -16.971 1.583 9.383 456 1HD LYS 56 HD2 LYS 56 -16.757 -0.578 7.298 457 2HD LYS 56 HD3 LYS 56 -17.811 -0.526 8.711 458 1HE LYS 56 HE2 LYS 56 -17.984 1.326 6.337 459 2HE LYS 56 HE3 LYS 56 -19.006 -0.085 6.593 460 1HZ LYS 56 HZ1 LYS 56 -20.126 1.932 7.264 461 2HZ LYS 56 HZ2 LYS 56 -18.876 2.315 8.345 462 3HZ LYS 56 HZ3 LYS 56 -19.848 0.949 8.619 463 H ASN 57 HN ASN 57 -13.285 1.887 9.743 464 HA ASN 57 HA ASN 57 -11.172 1.125 7.911 465 1HB ASN 57 HB2 ASN 57 -11.568 0.725 10.884 466 2HB ASN 57 HB3 ASN 57 -10.212 0.015 10.014 467 1HD2 ASN 57 HD21 ASN 57 -8.793 1.228 11.335 468 2HD2 ASN 57 HD22 ASN 57 -8.532 2.916 11.035 469 H VAL 58 HN VAL 58 -11.532 -0.588 6.601 470 HA VAL 58 HA VAL 58 -13.048 -2.840 7.744 471 HB VAL 58 HB VAL 58 -13.974 -3.363 5.628 472 1HG1 VAL 58 HG11 VAL 58 -15.220 -1.319 5.049 473 2HG1 VAL 58 HG12 VAL 58 -15.143 -1.602 6.787 474 3HG1 VAL 58 HG13 VAL 58 -14.106 -0.384 6.047 475 1HG2 VAL 58 HG21 VAL 58 -13.452 -2.177 3.565 476 2HG2 VAL 58 HG22 VAL 58 -12.249 -1.210 4.421 477 3HG2 VAL 58 HG23 VAL 58 -12.017 -2.949 4.242 478 H LEU 59 HN LEU 59 -12.231 -4.810 7.662 479 HA LEU 59 HA LEU 59 -9.499 -5.141 6.730 480 1HB LEU 59 HB2 LEU 59 -10.333 -5.804 9.036 481 2HB LEU 59 HB3 LEU 59 -11.244 -7.075 8.257 482 HG LEU 59 HG LEU 59 -8.942 -7.584 9.367 483 1HD1 LEU 59 HD11 LEU 59 -10.280 -9.209 8.165 484 2HD1 LEU 59 HD12 LEU 59 -9.638 -8.615 6.634 485 3HD1 LEU 59 HD13 LEU 59 -8.565 -9.396 7.796 486 1HD2 LEU 59 HD21 LEU 59 -7.671 -5.873 8.217 487 2HD2 LEU 59 HD22 LEU 59 -7.076 -7.481 7.797 488 3HD2 LEU 59 HD23 LEU 59 -8.087 -6.590 6.661 489 H THR 60 HN THR 60 -8.906 -6.603 5.127 490 HA THR 60 HA THR 60 -10.928 -7.023 3.148 491 HB THR 60 HB THR 60 -9.099 -8.054 1.806 492 HG1 THR 60 HG1 THR 60 -7.432 -8.762 2.871 493 1HG2 THR 60 HG21 THR 60 -7.788 -5.992 1.552 494 2HG2 THR 60 HG22 THR 60 -8.471 -5.383 3.060 495 3HG2 THR 60 HG23 THR 60 -9.517 -5.666 1.667 496 H THR 61 HN THR 61 -11.627 -8.907 2.241 497 HA THR 61 HA THR 61 -12.030 -11.063 4.087 498 HB THR 61 HB THR 61 -13.306 -11.986 2.058 499 HG1 THR 61 HG1 THR 61 -12.970 -10.913 0.261 500 1HG2 THR 61 HG21 THR 61 -14.037 -9.286 3.204 501 2HG2 THR 61 HG22 THR 61 -14.412 -10.853 3.923 502 3HG2 THR 61 HG23 THR 61 -15.156 -10.385 2.394 503 H SER 62 HN SER 62 -9.760 -10.359 1.704 504 HA SER 62 HA SER 62 -8.826 -13.126 1.606 505 1HB SER 62 HB2 SER 62 -9.044 -11.332 -0.829 506 2HB SER 62 HB3 SER 62 -8.459 -12.995 -0.797 507 HG SER 62 HG SER 62 -10.531 -13.677 -0.230 508 H GLU 63 HN GLU 63 -6.546 -13.270 0.915 509 HA GLU 63 HA GLU 63 -5.023 -11.060 1.996 510 1HB GLU 63 HB2 GLU 63 -3.827 -13.535 0.747 511 2HB GLU 63 HB3 GLU 63 -3.111 -12.453 1.918 512 1HG GLU 63 HG2 GLU 63 -3.622 -14.410 3.091 513 2HG GLU 63 HG3 GLU 63 -4.847 -13.234 3.561 514 H PHE 64 HN PHE 64 -3.475 -9.877 0.865 515 HA PHE 64 HA PHE 64 -3.690 -10.068 -2.063 516 1HB PHE 64 HB2 PHE 64 -3.445 -7.665 -0.282 517 2HB PHE 64 HB3 PHE 64 -2.961 -7.593 -1.968 518 HD1 PHE 64 HD1 PHE 64 -4.542 -7.276 -3.655 519 HD2 PHE 64 HD2 PHE 64 -5.833 -8.319 0.264 520 HE1 PHE 64 HE1 PHE 64 -6.875 -6.858 -4.315 521 HE2 PHE 64 HE2 PHE 64 -8.166 -7.898 -0.389 522 HZ PHE 64 HZ PHE 64 -8.689 -7.168 -2.683 523 H TYR 65 HN TYR 65 -1.760 -9.161 -3.174 524 HA TYR 65 HA TYR 65 0.550 -10.557 -2.133 525 1HB TYR 65 HB2 TYR 65 0.270 -8.997 -4.709 526 2HB TYR 65 HB3 TYR 65 1.489 -10.211 -4.344 527 HD1 TYR 65 HD1 TYR 65 -1.641 -9.608 -5.859 528 HD2 TYR 65 HD2 TYR 65 0.563 -12.604 -3.795 529 HE1 TYR 65 HE1 TYR 65 -3.127 -11.330 -6.785 530 HE2 TYR 65 HE2 TYR 65 -0.916 -14.335 -4.720 531 HH TYR 65 HH TYR 65 -3.121 -13.698 -7.267 532 H LEU 66 HN LEU 66 1.751 -9.492 -0.669 533 HA LEU 66 HA LEU 66 1.865 -6.566 -0.895 534 1HB LEU 66 HB2 LEU 66 2.341 -8.324 1.505 535 2HB LEU 66 HB3 LEU 66 2.385 -6.570 1.498 536 HG LEU 66 HG LEU 66 -0.033 -8.283 0.943 537 1HD1 LEU 66 HD11 LEU 66 -0.882 -7.373 3.040 538 2HD1 LEU 66 HD12 LEU 66 0.615 -8.272 3.293 539 3HD1 LEU 66 HD13 LEU 66 0.635 -6.509 3.285 540 1HD2 LEU 66 HD21 LEU 66 -1.273 -6.164 0.939 541 2HD2 LEU 66 HD22 LEU 66 0.251 -5.284 1.052 542 3HD2 LEU 66 HD23 LEU 66 -0.105 -6.253 -0.378 543 H SER 67 HN SER 67 3.726 -5.484 -0.950 544 HA SER 67 HA SER 67 6.229 -6.992 -0.611 545 1HB SER 67 HB2 SER 67 5.689 -4.820 -2.656 546 2HB SER 67 HB3 SER 67 7.223 -5.659 -2.420 547 HG SER 67 HG SER 67 6.474 -7.057 -3.791 548 H ASP 68 HN ASP 68 7.145 -6.226 1.179 549 HA ASP 68 HA ASP 68 6.518 -3.486 2.007 550 1HB ASP 68 HB2 ASP 68 5.965 -5.273 3.605 551 2HB ASP 68 HB3 ASP 68 7.650 -5.783 3.618 552 H CYS 69 HN CYS 69 7.960 -1.988 1.623 553 HA CYS 69 HA CYS 69 10.783 -2.694 1.329 554 1HB CYS 69 HB2 CYS 69 9.255 -0.131 0.832 555 2HB CYS 69 HB3 CYS 69 10.993 -0.294 0.612 556 H ASN 70 HN ASN 70 12.060 -2.574 3.060 557 HA ASN 70 HA ASN 70 11.476 -0.530 5.093 558 1HB ASN 70 HB2 ASN 70 12.234 -2.245 6.817 559 2HB ASN 70 HB3 ASN 70 10.646 -2.502 6.106 560 1HD2 ASN 70 HD21 ASN 70 10.296 -4.258 4.785 561 2HD2 ASN 70 HD22 ASN 70 11.444 -5.542 4.607 562 H VAL 71 HN VAL 71 13.197 0.391 6.105 563 HA VAL 71 HA VAL 71 15.617 0.475 4.629 564 HB VAL 71 HB VAL 71 14.625 2.405 5.850 565 1HG1 VAL 71 HG11 VAL 71 15.037 2.661 8.247 566 2HG1 VAL 71 HG12 VAL 71 13.956 1.311 7.901 567 3HG1 VAL 71 HG13 VAL 71 15.643 1.006 8.314 568 1HG2 VAL 71 HG21 VAL 71 16.944 2.470 5.111 569 2HG2 VAL 71 HG22 VAL 71 16.734 3.347 6.627 570 3HG2 VAL 71 HG23 VAL 71 17.461 1.740 6.631 571 H THR 72 HN THR 72 17.567 -0.487 4.986 572 HA THR 72 HA THR 72 17.538 -2.554 7.085 573 HB THR 72 HB THR 72 19.089 -3.812 5.515 574 HG1 THR 72 HG1 THR 72 18.727 -3.116 3.246 575 1HG2 THR 72 HG21 THR 72 16.720 -4.386 5.831 576 2HG2 THR 72 HG22 THR 72 17.247 -4.666 4.171 577 3HG2 THR 72 HG23 THR 72 16.284 -3.242 4.560 578 H SER 73 HN SER 73 20.158 -1.471 4.977 579 HA SER 73 HA SER 73 21.920 -1.535 7.297 580 1HB SER 73 HB2 SER 73 23.711 -1.479 5.495 581 2HB SER 73 HB3 SER 73 22.657 -2.895 5.479 582 HG SER 73 HG SER 73 22.684 -2.224 3.398 583 H ARG 74 HN ARG 74 21.659 0.468 4.380 584 HA ARG 74 HA ARG 74 22.686 2.733 5.920 585 1HB ARG 74 HB2 ARG 74 22.597 2.172 2.961 586 2HB ARG 74 HB3 ARG 74 23.027 3.747 3.614 587 1HG ARG 74 HG2 ARG 74 24.920 2.766 4.783 588 2HG ARG 74 HG3 ARG 74 24.482 1.169 4.168 589 1HD ARG 74 HD2 ARG 74 24.903 1.855 1.912 590 2HD ARG 74 HD3 ARG 74 25.125 3.530 2.414 591 HE ARG 74 HE ARG 74 27.040 2.273 3.815 592 1HH1 ARG 74 HH12 ARG 74 26.143 2.068 0.437 593 2HH1 ARG 74 HH11 ARG 74 27.767 1.785 -0.108 594 1HH2 ARG 74 HH22 ARG 74 29.191 1.892 3.092 595 2HH2 ARG 74 HH21 ARG 74 29.492 1.691 1.389 596 HA PRO 75 HA PRO 75 18.890 5.007 5.883 597 1HB PRO 75 HB2 PRO 75 20.469 7.279 4.788 598 2HB PRO 75 HB3 PRO 75 19.432 7.213 6.218 599 1HG PRO 75 HG2 PRO 75 22.079 7.226 6.467 600 2HG PRO 75 HG3 PRO 75 21.070 6.219 7.523 601 1HD PRO 75 HD2 PRO 75 22.725 5.429 5.162 602 2HD PRO 75 HD3 PRO 75 22.464 4.570 6.694 603 H CYS 76 HN CYS 76 17.308 5.031 4.461 604 HA CYS 76 HA CYS 76 16.102 5.100 2.565 605 1HB CYS 76 HB2 CYS 76 17.189 7.368 2.374 606 2HB CYS 76 HB3 CYS 76 18.374 6.636 1.300 607 H LYS 77 HN LYS 77 18.503 3.156 3.029 608 HA LYS 77 HA LYS 77 18.272 1.915 0.371 609 1HB LYS 77 HB2 LYS 77 20.283 1.545 2.585 610 2HB LYS 77 HB3 LYS 77 20.081 0.341 1.318 611 1HG LYS 77 HG2 LYS 77 20.821 3.232 0.900 612 2HG LYS 77 HG3 LYS 77 21.919 1.852 0.813 613 1HD LYS 77 HD2 LYS 77 20.581 0.933 -1.038 614 2HD LYS 77 HD3 LYS 77 19.529 2.346 -0.963 615 1HE LYS 77 HE2 LYS 77 21.414 3.789 -1.512 616 2HE LYS 77 HE3 LYS 77 22.485 2.388 -1.555 617 1HZ LYS 77 HZ1 LYS 77 21.130 1.497 -3.379 618 2HZ LYS 77 HZ2 LYS 77 21.832 2.991 -3.772 619 3HZ LYS 77 HZ3 LYS 77 20.185 2.907 -3.369 620 H TYR 78 HN TYR 78 17.240 -0.048 0.175 621 HA TYR 78 HA TYR 78 15.850 -0.930 2.607 622 1HB TYR 78 HB2 TYR 78 14.539 -0.416 -0.070 623 2HB TYR 78 HB3 TYR 78 13.736 -0.968 1.399 624 HD1 TYR 78 HD1 TYR 78 13.636 0.581 3.370 625 HD2 TYR 78 HD2 TYR 78 14.899 1.872 -0.475 626 HE1 TYR 78 HE1 TYR 78 13.241 2.909 4.032 627 HE2 TYR 78 HE2 TYR 78 14.505 4.209 0.174 628 HH TYR 78 HH TYR 78 14.044 5.165 3.368 629 H LYS 79 HN LYS 79 14.822 -2.967 2.465 630 HA LYS 79 HA LYS 79 15.798 -4.746 0.327 631 1HB LYS 79 HB2 LYS 79 16.639 -5.318 2.600 632 2HB LYS 79 HB3 LYS 79 14.981 -5.454 3.160 633 1HG LYS 79 HG2 LYS 79 14.679 -7.274 1.449 634 2HG LYS 79 HG3 LYS 79 16.426 -7.210 1.204 635 1HD LYS 79 HD2 LYS 79 15.011 -7.795 3.802 636 2HD LYS 79 HD3 LYS 79 15.832 -8.973 2.780 637 1HE LYS 79 HE2 LYS 79 17.955 -7.831 3.150 638 2HE LYS 79 HE3 LYS 79 17.143 -6.616 4.136 639 1HZ LYS 79 HZ1 LYS 79 18.260 -8.363 5.446 640 2HZ LYS 79 HZ2 LYS 79 17.210 -9.516 4.773 641 3HZ LYS 79 HZ3 LYS 79 16.590 -8.273 5.749 642 H LEU 80 HN LEU 80 14.224 -5.971 -0.739 643 HA LEU 80 HA LEU 80 11.492 -5.079 -0.279 644 1HB LEU 80 HB2 LEU 80 12.621 -5.290 -2.576 645 2HB LEU 80 HB3 LEU 80 12.392 -7.016 -2.394 646 HG LEU 80 HG LEU 80 10.653 -5.733 -3.748 647 1HD1 LEU 80 HD11 LEU 80 9.735 -7.437 -1.460 648 2HD1 LEU 80 HD12 LEU 80 8.797 -7.067 -2.908 649 3HD1 LEU 80 HD13 LEU 80 10.284 -8.007 -3.037 650 1HD2 LEU 80 HD21 LEU 80 10.391 -3.847 -2.264 651 2HD2 LEU 80 HD22 LEU 80 8.858 -4.696 -2.477 652 3HD2 LEU 80 HD23 LEU 80 9.792 -4.918 -0.998 653 H LYS 81 HN LYS 81 9.821 -6.403 0.293 654 HA LYS 81 HA LYS 81 10.568 -9.065 1.300 655 1HB LYS 81 HB2 LYS 81 10.543 -7.279 3.098 656 2HB LYS 81 HB3 LYS 81 8.817 -7.123 2.813 657 1HG LYS 81 HG2 LYS 81 8.447 -9.397 3.505 658 2HG LYS 81 HG3 LYS 81 10.185 -9.668 3.658 659 1HD LYS 81 HD2 LYS 81 9.314 -9.282 5.849 660 2HD LYS 81 HD3 LYS 81 10.235 -7.853 5.378 661 1HE LYS 81 HE2 LYS 81 8.110 -6.767 4.709 662 2HE LYS 81 HE3 LYS 81 7.236 -8.171 5.316 663 1HZ LYS 81 HZ1 LYS 81 8.839 -6.219 6.870 664 2HZ LYS 81 HZ2 LYS 81 8.355 -7.709 7.508 665 3HZ LYS 81 HZ3 LYS 81 7.190 -6.578 7.023 666 H LYS 82 HN LYS 82 9.460 -10.353 -0.008 667 HA LYS 82 HA LYS 82 6.815 -9.603 -0.954 668 1HB LYS 82 HB2 LYS 82 8.645 -11.911 -1.636 669 2HB LYS 82 HB3 LYS 82 7.072 -11.643 -2.380 670 1HG LYS 82 HG2 LYS 82 7.773 -9.792 -3.533 671 2HG LYS 82 HG3 LYS 82 9.076 -9.446 -2.399 672 1HD LYS 82 HD2 LYS 82 10.236 -11.506 -3.243 673 2HD LYS 82 HD3 LYS 82 8.992 -11.610 -4.495 674 1HE LYS 82 HE2 LYS 82 9.619 -9.476 -5.386 675 2HE LYS 82 HE3 LYS 82 10.707 -9.177 -4.034 676 1HZ LYS 82 HZ1 LYS 82 11.040 -11.177 -6.199 677 2HZ LYS 82 HZ2 LYS 82 12.018 -11.120 -4.810 678 3HZ LYS 82 HZ3 LYS 82 12.000 -9.810 -5.890 679 H SER 83 HN SER 83 5.044 -10.181 0.044 680 HA SER 83 HA SER 83 4.798 -12.851 1.173 681 1HB SER 83 HB2 SER 83 3.738 -11.787 3.261 682 2HB SER 83 HB3 SER 83 5.497 -11.738 3.143 683 HG SER 83 HG SER 83 5.019 -9.579 2.077 684 H THR 84 HN THR 84 2.460 -13.216 1.900 685 HA THR 84 HA THR 84 0.576 -11.540 0.372 686 HB THR 84 HB THR 84 0.211 -14.521 0.612 687 HG1 THR 84 HG1 THR 84 1.142 -14.722 -1.445 688 1HG2 THR 84 HG21 THR 84 -1.759 -13.203 0.045 689 2HG2 THR 84 HG22 THR 84 -1.248 -14.180 -1.333 690 3HG2 THR 84 HG23 THR 84 -0.887 -12.454 -1.294 691 H ASN 85 HN ASN 85 -0.768 -10.624 1.791 692 HA ASN 85 HA ASN 85 -2.027 -12.214 3.840 693 1HB ASN 85 HB2 ASN 85 0.237 -11.154 4.739 694 2HB ASN 85 HB3 ASN 85 -0.783 -9.738 4.866 695 1HD2 ASN 85 HD21 ASN 85 -0.449 -9.884 7.148 696 2HD2 ASN 85 HD22 ASN 85 -1.392 -10.987 8.097 697 H LYS 86 HN LYS 86 -3.804 -11.081 4.868 698 HA LYS 86 HA LYS 86 -5.149 -9.251 3.148 699 1HB LYS 86 HB2 LYS 86 -5.782 -9.846 6.037 700 2HB LYS 86 HB3 LYS 86 -6.891 -9.313 4.780 701 1HG LYS 86 HG2 LYS 86 -6.613 -11.456 3.629 702 2HG LYS 86 HG3 LYS 86 -5.510 -11.985 4.903 703 1HD LYS 86 HD2 LYS 86 -7.357 -11.618 6.538 704 2HD LYS 86 HD3 LYS 86 -8.419 -11.304 5.174 705 1HE LYS 86 HE2 LYS 86 -8.165 -13.511 4.346 706 2HE LYS 86 HE3 LYS 86 -6.835 -13.840 5.452 707 1HZ LYS 86 HZ1 LYS 86 -8.342 -13.769 7.297 708 2HZ LYS 86 HZ2 LYS 86 -8.943 -14.859 6.143 709 3HZ LYS 86 HZ3 LYS 86 -9.631 -13.319 6.293 710 H PHE 87 HN PHE 87 -6.075 -7.165 4.219 711 HA PHE 87 HA PHE 87 -4.461 -5.999 6.281 712 1HB PHE 87 HB2 PHE 87 -3.901 -3.956 4.877 713 2HB PHE 87 HB3 PHE 87 -2.951 -5.403 4.576 714 HD1 PHE 87 HD1 PHE 87 -2.586 -6.033 2.407 715 HD2 PHE 87 HD2 PHE 87 -6.015 -3.677 3.294 716 HE1 PHE 87 HE1 PHE 87 -3.086 -5.862 0.007 717 HE2 PHE 87 HE2 PHE 87 -6.527 -3.514 0.893 718 HZ PHE 87 HZ PHE 87 -5.058 -4.608 -0.758 719 H CYS 88 HN CYS 88 -5.361 -4.089 7.161 720 HA CYS 88 HA CYS 88 -8.184 -3.772 6.454 721 1HB CYS 88 HB2 CYS 88 -7.304 -4.043 8.917 722 2HB CYS 88 HB3 CYS 88 -6.834 -2.355 8.738 723 H VAL 89 HN VAL 89 -8.802 -2.116 5.223 724 HA VAL 89 HA VAL 89 -6.979 0.185 5.003 725 HB VAL 89 HB VAL 89 -8.148 0.643 2.803 726 1HG1 VAL 89 HG11 VAL 89 -6.550 -1.898 3.087 727 2HG1 VAL 89 HG12 VAL 89 -6.825 -1.037 1.572 728 3HG1 VAL 89 HG13 VAL 89 -5.912 -0.269 2.871 729 1HG2 VAL 89 HG21 VAL 89 -9.121 -2.190 3.185 730 2HG2 VAL 89 HG22 VAL 89 -10.126 -0.743 3.138 731 3HG2 VAL 89 HG23 VAL 89 -9.251 -1.255 1.693 732 H THR 90 HN THR 90 -7.767 2.210 5.337 733 HA THR 90 HA THR 90 -10.361 2.408 6.576 734 HB THR 90 HB THR 90 -8.407 4.609 5.873 735 HG1 THR 90 HG1 THR 90 -8.637 2.855 8.061 736 1HG2 THR 90 HG21 THR 90 -10.703 5.407 6.242 737 2HG2 THR 90 HG22 THR 90 -9.619 5.930 7.530 738 3HG2 THR 90 HG23 THR 90 -10.731 4.589 7.805 739 H CYS 91 HN CYS 91 -12.089 2.389 5.252 740 HA CYS 91 HA CYS 91 -11.847 3.453 2.551 741 1HB CYS 91 HB2 CYS 91 -14.091 1.955 3.906 742 2HB CYS 91 HB3 CYS 91 -14.022 2.370 2.195 743 H GLU 92 HN GLU 92 -12.636 5.345 1.925 744 HA GLU 92 HA GLU 92 -14.863 6.532 3.394 745 1HB GLU 92 HB2 GLU 92 -12.558 7.380 4.227 746 2HB GLU 92 HB3 GLU 92 -12.479 8.220 2.686 747 1HG GLU 92 HG2 GLU 92 -14.637 9.318 3.251 748 2HG GLU 92 HG3 GLU 92 -14.540 8.573 4.839 749 H ASN 93 HN ASN 93 -16.348 7.138 1.973 750 HA ASN 93 HA ASN 93 -17.392 7.678 0.034 751 1HB ASN 93 HB2 ASN 93 -14.781 9.117 -0.473 752 2HB ASN 93 HB3 ASN 93 -16.194 9.265 -1.512 753 1HD2 ASN 93 HD21 ASN 93 -14.784 10.075 1.534 754 2HD2 ASN 93 HD22 ASN 93 -15.999 11.199 2.041 755 H GLN 94 HN GLN 94 -16.209 5.185 0.181 756 HA GLN 94 HA GLN 94 -16.093 3.348 -1.130 757 1HB GLN 94 HB2 GLN 94 -16.475 5.215 -3.471 758 2HB GLN 94 HB3 GLN 94 -16.650 3.464 -3.491 759 1HG GLN 94 HG2 GLN 94 -18.497 3.669 -1.870 760 2HG GLN 94 HG3 GLN 94 -18.351 5.421 -1.970 761 1HE2 GLN 94 HE21 GLN 94 -17.863 3.385 -4.736 762 2HE2 GLN 94 HE22 GLN 94 -19.331 3.808 -5.559 763 H ALA 95 HN ALA 95 -13.780 5.398 -0.743 764 HA ALA 95 HA ALA 95 -11.933 3.865 -2.434 765 1HB ALA 95 HB1 ALA 95 -10.633 5.854 -2.915 766 2HB ALA 95 HB2 ALA 95 -12.298 6.083 -3.448 767 3HB ALA 95 HB3 ALA 95 -11.739 6.839 -1.957 768 HA PRO 96 HA PRO 96 -9.661 3.255 1.387 769 1HB PRO 96 HB2 PRO 96 -7.409 2.864 -0.488 770 2HB PRO 96 HB3 PRO 96 -8.032 1.781 0.759 771 1HG PRO 96 HG2 PRO 96 -8.430 1.326 -1.867 772 2HG PRO 96 HG3 PRO 96 -9.619 0.873 -0.639 773 1HD PRO 96 HD2 PRO 96 -9.657 3.130 -2.564 774 2HD PRO 96 HD3 PRO 96 -11.001 2.188 -1.898 775 H VAL 97 HN VAL 97 -9.042 5.004 2.524 776 HA VAL 97 HA VAL 97 -7.455 7.063 1.141 777 HB VAL 97 HB VAL 97 -8.317 8.681 2.792 778 1HG1 VAL 97 HG11 VAL 97 -9.444 8.497 0.668 779 2HG1 VAL 97 HG12 VAL 97 -10.410 7.144 1.259 780 3HG1 VAL 97 HG13 VAL 97 -10.640 8.754 1.940 781 1HG2 VAL 97 HG21 VAL 97 -10.193 8.071 4.232 782 2HG2 VAL 97 HG22 VAL 97 -10.063 6.395 3.695 783 3HG2 VAL 97 HG23 VAL 97 -8.756 7.125 4.622 784 H HIS 98 HN HIS 98 -7.555 4.944 3.876 785 HA HIS 98 HA HIS 98 -4.867 5.860 4.625 786 1HB HIS 98 HB2 HIS 98 -7.196 5.423 6.486 787 2HB HIS 98 HB3 HIS 98 -5.541 5.259 7.047 788 HD1 HIS 98 HD1 HIS 98 -4.683 7.300 8.117 789 HD2 HIS 98 HD2 HIS 98 -7.539 8.164 5.220 790 HE1 HIS 98 HE1 HIS 98 -4.996 9.793 8.194 791 HE2 HIS 98 HE2 HIS 98 -6.898 10.251 6.602 792 H PHE 99 HN PHE 99 -3.485 4.238 5.323 793 HA PHE 99 HA PHE 99 -4.499 1.508 4.955 794 1HB PHE 99 HB2 PHE 99 -2.538 2.306 3.563 795 2HB PHE 99 HB3 PHE 99 -1.608 2.386 5.055 796 HD1 PHE 99 HD1 PHE 99 -0.463 0.530 5.803 797 HD2 PHE 99 HD2 PHE 99 -3.627 0.024 2.999 798 HE1 PHE 99 HE1 PHE 99 0.112 -1.850 5.592 799 HE2 PHE 99 HE2 PHE 99 -3.054 -2.360 2.779 800 HZ PHE 99 HZ PHE 99 -1.202 -3.301 4.031 801 H VAL 100 HN VAL 100 -4.945 0.437 6.754 802 HA VAL 100 HA VAL 100 -4.133 1.501 9.305 803 HB VAL 100 HB VAL 100 -5.742 -0.976 8.670 804 1HG1 VAL 100 HG11 VAL 100 -6.533 -0.825 10.980 805 2HG1 VAL 100 HG12 VAL 100 -4.788 -1.062 10.903 806 3HG1 VAL 100 HG13 VAL 100 -5.446 0.536 11.262 807 1HG2 VAL 100 HG21 VAL 100 -6.821 1.035 7.796 808 2HG2 VAL 100 HG22 VAL 100 -7.716 0.397 9.175 809 3HG2 VAL 100 HG23 VAL 100 -6.678 1.808 9.376 810 H GLY 101 HN GLY 101 -4.196 -1.932 8.445 811 1HA GLY 101 HA1 GLY 101 -1.351 -2.246 8.498 812 2HA GLY 101 HA2 GLY 101 -2.104 -2.810 9.982 813 H VAL 102 HN VAL 102 -0.782 -4.660 8.541 814 HA VAL 102 HA VAL 102 -2.706 -5.906 6.744 815 HB VAL 102 HB VAL 102 -1.052 -7.175 5.840 816 1HG1 VAL 102 HG11 VAL 102 0.438 -4.782 6.881 817 2HG1 VAL 102 HG12 VAL 102 0.954 -5.802 5.537 818 3HG1 VAL 102 HG13 VAL 102 -0.536 -4.868 5.413 819 1HG2 VAL 102 HG21 VAL 102 0.739 -6.907 8.241 820 2HG2 VAL 102 HG22 VAL 102 -0.405 -8.231 8.009 821 3HG2 VAL 102 HG23 VAL 102 0.916 -8.003 6.864 822 H GLY 103 HN GLY 103 -3.243 -8.144 6.912 823 1HA GLY 103 HA1 GLY 103 -3.666 -10.109 8.137 824 2HA GLY 103 HA2 GLY 103 -3.088 -9.308 9.591 825 H SER 104 HN SER 104 -4.448 -7.847 10.666 826 HA SER 104 HA SER 104 -7.155 -7.441 9.714 827 1HB SER 104 HB2 SER 104 -6.543 -8.822 12.344 828 2HB SER 104 HB3 SER 104 -8.120 -8.190 11.888 829 HG SER 104 HG SER 104 -7.090 -9.789 9.947 830 H CYS 105 HN CYS 105 -8.275 -5.824 11.173 831 HA CYS 105 HA CYS 105 -6.245 -4.070 12.343 832 1HB CYS 105 HB2 CYS 105 -8.008 -2.262 12.041 833 2HB CYS 105 HB3 CYS 105 -7.189 -2.869 10.609 Start of MODEL 4 1 1H MET 1 H1 MET 1 -2.890 15.231 0.505 2 2H MET 1 H2 MET 1 -3.397 16.594 1.375 3 3H MET 1 H3 MET 1 -4.410 15.242 1.256 4 HA MET 1 HA MET 1 -1.789 15.350 2.637 5 1HB MET 1 HB2 MET 1 -4.612 15.140 3.715 6 2HB MET 1 HB3 MET 1 -3.159 14.946 4.684 7 1HG MET 1 HG2 MET 1 -4.009 17.436 3.226 8 2HG MET 1 HG3 MET 1 -4.101 17.156 4.963 9 1HE MET 1 HE1 MET 1 -2.754 19.716 3.722 10 2HE MET 1 HE2 MET 1 -2.773 19.412 5.460 11 3HE MET 1 HE3 MET 1 -1.261 19.837 4.654 12 H GLN 2 HN GLN 2 -4.783 13.416 2.539 13 HA GLN 2 HA GLN 2 -3.363 11.059 1.729 14 1HB GLN 2 HB2 GLN 2 -2.960 11.255 4.245 15 2HB GLN 2 HB3 GLN 2 -4.684 10.971 4.433 16 1HG GLN 2 HG2 GLN 2 -3.386 8.931 4.739 17 2HG GLN 2 HG3 GLN 2 -4.483 8.813 3.361 18 1HE2 GLN 2 HE21 GLN 2 -1.164 9.141 4.368 19 2HE2 GLN 2 HE22 GLN 2 -0.459 8.669 2.860 20 H ASP 3 HN ASP 3 -4.689 10.300 0.301 21 HA ASP 3 HA ASP 3 -7.486 9.860 0.807 22 1HB ASP 3 HB2 ASP 3 -8.215 11.197 -1.197 23 2HB ASP 3 HB3 ASP 3 -7.654 12.179 0.152 24 H TRP 4 HN TRP 4 -8.380 9.343 -1.720 25 HA TRP 4 HA TRP 4 -7.213 6.843 -2.215 26 1HB TRP 4 HB2 TRP 4 -9.533 7.240 -2.765 27 2HB TRP 4 HB3 TRP 4 -9.091 8.480 -3.933 28 HD1 TRP 4 HD1 TRP 4 -9.473 7.581 -6.295 29 HE1 TRP 4 HE1 TRP 4 -9.046 5.367 -7.528 30 HE3 TRP 4 HE3 TRP 4 -7.732 4.809 -2.379 31 HZ2 TRP 4 HZ2 TRP 4 -8.097 2.779 -6.915 32 HZ3 TRP 4 HZ3 TRP 4 -7.108 2.465 -2.772 33 HH2 TRP 4 HH2 TRP 4 -7.275 1.474 -5.002 34 H LEU 5 HN LEU 5 -6.632 9.975 -3.733 35 HA LEU 5 HA LEU 5 -5.166 8.879 -5.936 36 1HB LEU 5 HB2 LEU 5 -5.234 11.688 -4.834 37 2HB LEU 5 HB3 LEU 5 -4.465 11.222 -6.336 38 HG LEU 5 HG LEU 5 -6.523 12.222 -6.910 39 1HD1 LEU 5 HD11 LEU 5 -6.008 10.238 -8.198 40 2HD1 LEU 5 HD12 LEU 5 -6.884 9.239 -7.040 41 3HD1 LEU 5 HD13 LEU 5 -7.751 10.426 -8.013 42 1HD2 LEU 5 HD21 LEU 5 -7.881 10.394 -4.941 43 2HD2 LEU 5 HD22 LEU 5 -7.627 12.128 -4.751 44 3HD2 LEU 5 HD23 LEU 5 -8.689 11.528 -6.025 45 H THR 6 HN THR 6 -4.370 10.176 -2.768 46 HA THR 6 HA THR 6 -1.527 10.041 -3.144 47 HB THR 6 HB THR 6 -3.042 10.068 -0.526 48 HG1 THR 6 HG1 THR 6 -3.232 11.875 -2.341 49 1HG2 THR 6 HG21 THR 6 -0.669 9.530 -0.311 50 2HG2 THR 6 HG22 THR 6 -1.004 11.136 0.336 51 3HG2 THR 6 HG23 THR 6 -0.248 10.965 -1.248 52 H PHE 7 HN PHE 7 -3.986 8.020 -1.665 53 HA PHE 7 HA PHE 7 -2.480 5.993 -0.535 54 1HB PHE 7 HB2 PHE 7 -4.977 6.360 -0.396 55 2HB PHE 7 HB3 PHE 7 -5.109 5.660 -2.001 56 HD1 PHE 7 HD1 PHE 7 -4.969 5.010 1.509 57 HD2 PHE 7 HD2 PHE 7 -4.323 3.276 -2.325 58 HE1 PHE 7 HE1 PHE 7 -5.119 2.765 2.504 59 HE2 PHE 7 HE2 PHE 7 -4.487 1.023 -1.335 60 HZ PHE 7 HZ PHE 7 -4.950 0.786 1.103 61 H GLN 8 HN GLN 8 -3.637 6.355 -3.850 62 HA GLN 8 HA GLN 8 -2.869 3.895 -4.873 63 1HB GLN 8 HB2 GLN 8 -3.390 6.580 -6.015 64 2HB GLN 8 HB3 GLN 8 -2.582 5.394 -7.023 65 1HG GLN 8 HG2 GLN 8 -4.431 3.847 -6.714 66 2HG GLN 8 HG3 GLN 8 -5.235 5.012 -5.657 67 1HE2 GLN 8 HE21 GLN 8 -6.158 6.849 -6.552 68 2HE2 GLN 8 HE22 GLN 8 -6.475 6.991 -8.249 69 H LYS 9 HN LYS 9 -1.101 6.982 -5.279 70 HA LYS 9 HA LYS 9 1.077 5.939 -6.636 71 1HB LYS 9 HB2 LYS 9 1.095 8.237 -4.675 72 2HB LYS 9 HB3 LYS 9 2.270 7.954 -5.950 73 1HG LYS 9 HG2 LYS 9 0.672 8.427 -7.643 74 2HG LYS 9 HG3 LYS 9 -0.650 8.443 -6.471 75 1HD LYS 9 HD2 LYS 9 0.299 10.387 -5.392 76 2HD LYS 9 HD3 LYS 9 1.672 10.365 -6.498 77 1HE LYS 9 HE2 LYS 9 0.190 12.036 -7.293 78 2HE LYS 9 HE3 LYS 9 0.013 10.655 -8.375 79 1HZ LYS 9 HZ1 LYS 9 -1.803 11.197 -6.093 80 2HZ LYS 9 HZ2 LYS 9 -2.025 10.062 -7.339 81 3HZ LYS 9 HZ3 LYS 9 -2.104 11.720 -7.675 82 H LYS 10 HN LYS 10 0.398 5.986 -3.228 83 HA LYS 10 HA LYS 10 3.146 5.278 -2.561 84 1HB LYS 10 HB2 LYS 10 0.796 6.060 -0.849 85 2HB LYS 10 HB3 LYS 10 2.345 5.558 -0.186 86 1HG LYS 10 HG2 LYS 10 3.414 7.399 -1.479 87 2HG LYS 10 HG3 LYS 10 1.799 7.945 -1.936 88 1HD LYS 10 HD2 LYS 10 1.239 8.268 0.424 89 2HD LYS 10 HD3 LYS 10 2.850 7.712 0.887 90 1HE LYS 10 HE2 LYS 10 3.810 9.578 -0.445 91 2HE LYS 10 HE3 LYS 10 2.174 10.161 -0.737 92 1HZ LYS 10 HZ1 LYS 10 3.222 11.347 1.072 93 2HZ LYS 10 HZ2 LYS 10 3.472 9.903 1.919 94 3HZ LYS 10 HZ3 LYS 10 1.898 10.462 1.650 95 H HIS 11 HN HIS 11 0.246 3.564 -3.116 96 HA HIS 11 HA HIS 11 1.398 1.289 -1.648 97 1HB HIS 11 HB2 HIS 11 -1.470 2.196 -1.467 98 2HB HIS 11 HB3 HIS 11 -0.913 0.614 -0.933 99 HD1 HIS 11 HD1 HIS 11 1.092 0.771 0.969 100 HD2 HIS 11 HD2 HIS 11 -1.363 4.094 0.452 101 HE1 HIS 11 HE1 HIS 11 1.363 2.148 3.056 102 HE2 HIS 11 HE2 HIS 11 0.026 4.246 2.632 103 H ILE 12 HN ILE 12 0.008 2.396 -4.528 104 HA ILE 12 HA ILE 12 -0.808 -0.315 -5.294 105 HB ILE 12 HB ILE 12 -1.256 2.319 -6.716 106 1HG1 ILE 12 HG12 ILE 12 -2.601 2.108 -4.697 107 2HG1 ILE 12 HG13 ILE 12 -3.622 1.962 -6.118 108 1HG2 ILE 12 HG21 ILE 12 -2.249 -0.439 -7.412 109 2HG2 ILE 12 HG22 ILE 12 -2.720 1.060 -8.215 110 3HG2 ILE 12 HG23 ILE 12 -1.051 0.495 -8.308 111 1HD1 ILE 12 HD11 ILE 12 -2.629 -0.315 -4.420 112 2HD1 ILE 12 HD12 ILE 12 -4.253 0.370 -4.397 113 3HD1 ILE 12 HD13 ILE 12 -3.665 -0.458 -5.839 114 H THR 13 HN THR 13 0.711 -1.529 -6.185 115 HA THR 13 HA THR 13 2.499 -0.278 -8.144 116 HB THR 13 HB THR 13 3.704 -0.645 -5.964 117 HG1 THR 13 HG1 THR 13 5.042 -0.543 -7.686 118 1HG2 THR 13 HG21 THR 13 2.658 -2.722 -5.252 119 2HG2 THR 13 HG22 THR 13 4.400 -2.947 -5.416 120 3HG2 THR 13 HG23 THR 13 3.309 -3.560 -6.661 121 H ASN 14 HN ASN 14 3.448 -1.824 -9.647 122 HA ASN 14 HA ASN 14 1.555 -4.004 -10.222 123 1HB ASN 14 HB2 ASN 14 2.096 -3.669 -12.589 124 2HB ASN 14 HB3 ASN 14 1.502 -2.178 -11.869 125 1HD2 ASN 14 HD21 ASN 14 3.184 -2.682 -14.236 126 2HD2 ASN 14 HD22 ASN 14 4.614 -1.731 -13.986 127 H THR 15 HN THR 15 4.280 -3.796 -8.745 128 HA THR 15 HA THR 15 5.440 -6.146 -10.079 129 HB THR 15 HB THR 15 6.884 -4.289 -10.639 130 HG1 THR 15 HG1 THR 15 8.735 -5.069 -9.009 131 1HG2 THR 15 HG21 THR 15 8.007 -2.939 -8.937 132 2HG2 THR 15 HG22 THR 15 7.095 -3.767 -7.673 133 3HG2 THR 15 HG23 THR 15 6.255 -2.751 -8.846 134 H ARG 16 HN ARG 16 6.183 -7.762 -8.760 135 HA ARG 16 HA ARG 16 5.414 -7.678 -5.971 136 1HB ARG 16 HB2 ARG 16 6.700 -9.780 -7.714 137 2HB ARG 16 HB3 ARG 16 6.486 -10.004 -5.983 138 1HG ARG 16 HG2 ARG 16 4.224 -9.388 -7.863 139 2HG ARG 16 HG3 ARG 16 4.718 -11.027 -7.426 140 1HD ARG 16 HD2 ARG 16 3.991 -8.928 -5.401 141 2HD ARG 16 HD3 ARG 16 2.814 -10.044 -6.092 142 HE ARG 16 HE ARG 16 4.428 -11.829 -5.188 143 1HH1 ARG 16 HH12 ARG 16 3.951 -8.704 -3.679 144 2HH1 ARG 16 HH11 ARG 16 4.174 -9.298 -2.066 145 1HH2 ARG 16 HH22 ARG 16 4.706 -12.625 -3.069 146 2HH2 ARG 16 HH21 ARG 16 4.589 -11.545 -1.720 147 H ASP 17 HN ASP 17 8.215 -7.208 -7.893 148 HA ASP 17 HA ASP 17 9.885 -7.009 -5.477 149 1HB ASP 17 HB2 ASP 17 10.649 -8.572 -7.314 150 2HB ASP 17 HB3 ASP 17 10.816 -7.166 -8.356 151 H VAL 18 HN VAL 18 9.408 -4.944 -4.819 152 HA VAL 18 HA VAL 18 9.188 -2.763 -6.655 153 HB VAL 18 HB VAL 18 9.602 -2.618 -3.659 154 1HG1 VAL 18 HG11 VAL 18 8.553 -0.586 -5.618 155 2HG1 VAL 18 HG12 VAL 18 8.566 -0.399 -3.865 156 3HG1 VAL 18 HG13 VAL 18 10.090 -0.517 -4.751 157 1HG2 VAL 18 HG21 VAL 18 7.593 -3.842 -4.008 158 2HG2 VAL 18 HG22 VAL 18 7.160 -2.183 -3.574 159 3HG2 VAL 18 HG23 VAL 18 7.059 -2.714 -5.255 160 H ASP 19 HN ASP 19 10.730 -1.352 -7.307 161 HA ASP 19 HA ASP 19 13.482 -1.754 -6.575 162 1HB ASP 19 HB2 ASP 19 12.715 -1.017 -8.856 163 2HB ASP 19 HB3 ASP 19 12.233 0.518 -8.148 164 H CYS 20 HN CYS 20 12.616 -1.503 -4.262 165 HA CYS 20 HA CYS 20 11.396 0.728 -3.241 166 1HB CYS 20 HB2 CYS 20 13.387 -0.929 -1.698 167 2HB CYS 20 HB3 CYS 20 11.998 -0.044 -1.069 168 H ASP 21 HN ASP 21 14.910 0.082 -3.287 169 HA ASP 21 HA ASP 21 15.531 2.404 -1.753 170 1HB ASP 21 HB2 ASP 21 17.891 1.841 -2.257 171 2HB ASP 21 HB3 ASP 21 16.977 0.484 -1.610 172 H ASN 22 HN ASN 22 14.453 2.313 -4.806 173 HA ASN 22 HA ASN 22 15.867 4.822 -5.428 174 1HB ASN 22 HB2 ASN 22 16.352 2.932 -7.022 175 2HB ASN 22 HB3 ASN 22 14.651 2.953 -7.461 176 1HD2 ASN 22 HD21 ASN 22 13.868 4.555 -8.764 177 2HD2 ASN 22 HD22 ASN 22 14.880 5.744 -9.520 178 H ILE 23 HN ILE 23 12.878 2.986 -5.712 179 HA ILE 23 HA ILE 23 11.212 5.094 -6.548 180 HB ILE 23 HB ILE 23 10.560 2.562 -5.040 181 1HG1 ILE 23 HG12 ILE 23 10.249 3.376 -7.939 182 2HG1 ILE 23 HG13 ILE 23 11.427 2.236 -7.299 183 1HG2 ILE 23 HG21 ILE 23 8.846 4.251 -4.577 184 2HG2 ILE 23 HG22 ILE 23 8.632 4.502 -6.309 185 3HG2 ILE 23 HG23 ILE 23 8.219 2.947 -5.587 186 1HD1 ILE 23 HD11 ILE 23 9.567 1.114 -8.401 187 2HD1 ILE 23 HD12 ILE 23 9.642 0.713 -6.686 188 3HD1 ILE 23 HD13 ILE 23 8.440 1.863 -7.269 189 H LEU 24 HN LEU 24 12.089 3.982 -3.287 190 HA LEU 24 HA LEU 24 10.229 5.778 -2.022 191 1HB LEU 24 HB2 LEU 24 12.545 4.345 -0.732 192 2HB LEU 24 HB3 LEU 24 11.145 5.027 0.071 193 HG LEU 24 HG LEU 24 11.259 2.562 -1.657 194 1HD1 LEU 24 HD11 LEU 24 11.914 2.300 0.682 195 2HD1 LEU 24 HD12 LEU 24 10.380 3.013 1.185 196 3HD1 LEU 24 HD13 LEU 24 10.397 1.470 0.333 197 1HD2 LEU 24 HD21 LEU 24 8.855 2.354 -1.312 198 2HD2 LEU 24 HD22 LEU 24 8.825 3.957 -0.574 199 3HD2 LEU 24 HD23 LEU 24 9.260 3.778 -2.274 200 H SER 25 HN SER 25 13.221 6.159 -3.435 201 HA SER 25 HA SER 25 14.239 8.187 -1.655 202 1HB SER 25 HB2 SER 25 15.182 7.472 -4.443 203 2HB SER 25 HB3 SER 25 16.083 8.358 -3.211 204 HG SER 25 HG SER 25 16.474 5.976 -3.499 205 H THR 26 HN THR 26 11.839 8.123 -3.932 206 HA THR 26 HA THR 26 12.236 10.665 -5.182 207 HB THR 26 HB THR 26 9.871 10.440 -5.890 208 HG1 THR 26 HG1 THR 26 9.764 7.858 -4.771 209 1HG2 THR 26 HG21 THR 26 10.152 8.387 -7.233 210 2HG2 THR 26 HG22 THR 26 11.553 7.959 -6.250 211 3HG2 THR 26 HG23 THR 26 11.590 9.408 -7.254 212 H ASN 27 HN ASN 27 10.434 12.375 -4.921 213 HA ASN 27 HA ASN 27 10.522 13.288 -2.217 214 1HB ASN 27 HB2 ASN 27 10.553 14.701 -4.349 215 2HB ASN 27 HB3 ASN 27 8.815 14.428 -4.429 216 1HD2 ASN 27 HD21 ASN 27 8.244 16.536 -4.128 217 2HD2 ASN 27 HD22 ASN 27 8.487 17.382 -2.633 218 H LEU 28 HN LEU 28 8.438 11.271 -3.940 219 HA LEU 28 HA LEU 28 5.963 11.842 -2.682 220 1HB LEU 28 HB2 LEU 28 6.189 10.605 -4.803 221 2HB LEU 28 HB3 LEU 28 6.964 9.286 -3.950 222 HG LEU 28 HG LEU 28 4.853 8.953 -2.661 223 1HD1 LEU 28 HD11 LEU 28 2.797 9.962 -3.532 224 2HD1 LEU 28 HD12 LEU 28 3.904 11.174 -2.886 225 3HD1 LEU 28 HD13 LEU 28 3.757 10.953 -4.630 226 1HD2 LEU 28 HD21 LEU 28 5.385 7.576 -4.594 227 2HD2 LEU 28 HD22 LEU 28 3.650 7.881 -4.499 228 3HD2 LEU 28 HD23 LEU 28 4.638 8.766 -5.661 229 H PHE 29 HN PHE 29 8.693 9.808 -1.858 230 HA PHE 29 HA PHE 29 7.296 8.979 0.603 231 1HB PHE 29 HB2 PHE 29 9.627 7.622 -0.769 232 2HB PHE 29 HB3 PHE 29 8.813 7.058 0.687 233 HD1 PHE 29 HD1 PHE 29 8.833 7.054 -2.896 234 HD2 PHE 29 HD2 PHE 29 6.396 6.374 0.525 235 HE1 PHE 29 HE1 PHE 29 7.247 5.778 -4.281 236 HE2 PHE 29 HE2 PHE 29 4.811 5.096 -0.851 237 HZ PHE 29 HZ PHE 29 5.273 4.769 -3.276 238 H HIS 30 HN HIS 30 10.318 10.112 -0.770 239 HA HIS 30 HA HIS 30 12.061 11.282 0.038 240 1HB HIS 30 HB2 HIS 30 9.989 12.643 0.906 241 2HB HIS 30 HB3 HIS 30 10.529 12.066 2.480 242 HD1 HIS 30 HD1 HIS 30 12.612 13.162 3.479 243 HD2 HIS 30 HD2 HIS 30 11.802 14.380 -0.415 244 HE1 HIS 30 HE1 HIS 30 14.154 15.098 3.037 245 HE2 HIS 30 HE2 HIS 30 13.776 15.693 0.620 246 H CYS 31 HN CYS 31 12.009 8.588 0.622 247 HA CYS 31 HA CYS 31 13.112 7.013 1.799 248 1HB CYS 31 HB2 CYS 31 14.616 9.301 3.079 249 2HB CYS 31 HB3 CYS 31 15.156 7.635 2.903 250 H LYS 32 HN LYS 32 10.907 6.886 2.868 251 HA LYS 32 HA LYS 32 10.775 7.596 5.653 252 1HB LYS 32 HB2 LYS 32 8.678 6.401 5.669 253 2HB LYS 32 HB3 LYS 32 8.760 7.420 4.241 254 1HG LYS 32 HG2 LYS 32 9.575 5.279 3.042 255 2HG LYS 32 HG3 LYS 32 8.912 4.445 4.445 256 1HD LYS 32 HD2 LYS 32 7.388 6.358 2.679 257 2HD LYS 32 HD3 LYS 32 7.285 4.599 2.606 258 1HE LYS 32 HE2 LYS 32 6.468 4.564 4.922 259 2HE LYS 32 HE3 LYS 32 6.553 6.325 4.969 260 1HZ LYS 32 HZ1 LYS 32 4.309 5.319 4.490 261 2HZ LYS 32 HZ2 LYS 32 4.920 4.879 2.968 262 3HZ LYS 32 HZ3 LYS 32 4.837 6.512 3.409 263 H ASP 33 HN ASP 33 10.049 5.584 7.128 264 HA ASP 33 HA ASP 33 12.391 3.961 7.389 265 1HB ASP 33 HB2 ASP 33 10.888 4.740 9.285 266 2HB ASP 33 HB3 ASP 33 9.724 3.532 8.754 267 H LYS 34 HN LYS 34 8.983 3.114 6.766 268 HA LYS 34 HA LYS 34 9.880 1.003 4.941 269 1HB LYS 34 HB2 LYS 34 7.879 0.602 7.166 270 2HB LYS 34 HB3 LYS 34 8.269 -0.575 5.927 271 1HG LYS 34 HG2 LYS 34 10.330 -1.048 6.836 272 2HG LYS 34 HG3 LYS 34 10.415 0.489 7.704 273 1HD LYS 34 HD2 LYS 34 9.990 -1.322 9.258 274 2HD LYS 34 HD3 LYS 34 8.593 -0.244 9.156 275 1HE LYS 34 HE2 LYS 34 7.537 -1.829 7.574 276 2HE LYS 34 HE3 LYS 34 8.904 -2.921 7.790 277 1HZ LYS 34 HZ1 LYS 34 6.962 -2.072 9.871 278 2HZ LYS 34 HZ2 LYS 34 8.352 -2.993 10.185 279 3HZ LYS 34 HZ3 LYS 34 7.124 -3.621 9.201 280 H ASN 35 HN ASN 35 8.294 0.364 3.399 281 HA ASN 35 HA ASN 35 5.725 1.740 3.473 282 1HB ASN 35 HB2 ASN 35 7.361 3.158 2.120 283 2HB ASN 35 HB3 ASN 35 7.375 1.845 0.951 284 1HD2 ASN 35 HD21 ASN 35 5.581 1.467 -0.299 285 2HD2 ASN 35 HD22 ASN 35 4.260 2.583 -0.412 286 H THR 36 HN THR 36 4.384 0.058 3.410 287 HA THR 36 HA THR 36 5.014 -2.328 1.922 288 HB THR 36 HB THR 36 2.438 -1.650 3.350 289 HG1 THR 36 HG1 THR 36 4.956 -2.280 4.321 290 1HG2 THR 36 HG21 THR 36 2.253 -3.549 1.841 291 2HG2 THR 36 HG22 THR 36 2.229 -4.111 3.514 292 3HG2 THR 36 HG23 THR 36 3.694 -4.279 2.545 293 H PHE 37 HN PHE 37 4.706 -2.418 -0.191 294 HA PHE 37 HA PHE 37 2.605 -0.839 -1.476 295 1HB PHE 37 HB2 PHE 37 4.810 -2.565 -2.632 296 2HB PHE 37 HB3 PHE 37 3.644 -1.673 -3.593 297 HD1 PHE 37 HD1 PHE 37 6.542 -1.388 -1.345 298 HD2 PHE 37 HD2 PHE 37 3.860 0.661 -3.943 299 HE1 PHE 37 HE1 PHE 37 7.987 0.591 -1.275 300 HE2 PHE 37 HE2 PHE 37 5.315 2.637 -3.880 301 HZ PHE 37 HZ PHE 37 7.500 2.501 -2.693 302 H ILE 38 HN ILE 38 1.168 -1.843 -2.980 303 HA ILE 38 HA ILE 38 0.492 -4.618 -2.261 304 HB ILE 38 HB ILE 38 -1.357 -2.404 -3.176 305 1HG1 ILE 38 HG12 ILE 38 -1.215 -3.679 -0.440 306 2HG1 ILE 38 HG13 ILE 38 -0.383 -2.183 -0.848 307 1HG2 ILE 38 HG21 ILE 38 -2.000 -5.189 -2.210 308 2HG2 ILE 38 HG22 ILE 38 -3.173 -3.944 -2.652 309 3HG2 ILE 38 HG23 ILE 38 -2.103 -4.627 -3.880 310 1HD1 ILE 38 HD11 ILE 38 -2.506 -1.113 -1.335 311 2HD1 ILE 38 HD12 ILE 38 -3.359 -2.615 -0.977 312 3HD1 ILE 38 HD13 ILE 38 -2.488 -1.769 0.302 313 H TYR 39 HN TYR 39 0.919 -5.976 -3.890 314 HA TYR 39 HA TYR 39 1.109 -5.053 -6.612 315 1HB TYR 39 HB2 TYR 39 2.626 -6.806 -5.893 316 2HB TYR 39 HB3 TYR 39 1.276 -7.833 -5.427 317 HD1 TYR 39 HD1 TYR 39 2.560 -6.036 -8.453 318 HD2 TYR 39 HD2 TYR 39 0.652 -9.508 -6.893 319 HE1 TYR 39 HE1 TYR 39 2.556 -7.040 -10.696 320 HE2 TYR 39 HE2 TYR 39 0.644 -10.511 -9.135 321 HH TYR 39 HH TYR 39 0.772 -9.889 -11.435 322 H SER 40 HN SER 40 -0.947 -4.218 -6.828 323 HA SER 40 HA SER 40 -2.841 -5.955 -8.037 324 1HB SER 40 HB2 SER 40 -3.510 -4.763 -5.328 325 2HB SER 40 HB3 SER 40 -4.747 -5.268 -6.477 326 HG SER 40 HG SER 40 -2.721 -7.086 -5.840 327 H ARG 41 HN ARG 41 -4.511 -4.685 -9.100 328 HA ARG 41 HA ARG 41 -3.542 -2.071 -9.759 329 1HB ARG 41 HB2 ARG 41 -5.905 -3.681 -10.678 330 2HB ARG 41 HB3 ARG 41 -5.677 -2.010 -11.172 331 1HG ARG 41 HG2 ARG 41 -3.807 -4.302 -11.671 332 2HG ARG 41 HG3 ARG 41 -4.799 -3.462 -12.865 333 1HD ARG 41 HD2 ARG 41 -3.586 -1.378 -12.359 334 2HD ARG 41 HD3 ARG 41 -2.559 -2.265 -11.237 335 HE ARG 41 HE ARG 41 -2.056 -3.639 -13.400 336 1HH1 ARG 41 HH12 ARG 41 -2.529 -0.175 -13.108 337 2HH1 ARG 41 HH11 ARG 41 -1.448 0.213 -14.411 338 1HH2 ARG 41 HH22 ARG 41 -0.627 -3.133 -15.122 339 2HH2 ARG 41 HH21 ARG 41 -0.385 -1.468 -15.584 340 HA PRO 42 HA PRO 42 -5.743 0.540 -7.074 341 1HB PRO 42 HB2 PRO 42 -6.898 2.316 -8.873 342 2HB PRO 42 HB3 PRO 42 -5.261 2.437 -8.234 343 1HG PRO 42 HG2 PRO 42 -6.223 1.377 -10.842 344 2HG PRO 42 HG3 PRO 42 -4.741 2.269 -10.471 345 1HD PRO 42 HD2 PRO 42 -4.752 -0.391 -10.904 346 2HD PRO 42 HD3 PRO 42 -3.634 0.378 -9.758 347 H GLU 43 HN GLU 43 -7.544 -0.721 -9.825 348 HA GLU 43 HA GLU 43 -10.060 0.198 -8.863 349 1HB GLU 43 HB2 GLU 43 -9.284 -1.724 -11.039 350 2HB GLU 43 HB3 GLU 43 -10.945 -1.302 -10.683 351 1HG GLU 43 HG2 GLU 43 -8.750 0.487 -11.667 352 2HG GLU 43 HG3 GLU 43 -10.271 0.090 -12.466 353 HA PRO 44 HA PRO 44 -10.703 -4.468 -7.560 354 1HB PRO 44 HB2 PRO 44 -8.341 -5.791 -7.059 355 2HB PRO 44 HB3 PRO 44 -9.296 -5.969 -8.531 356 1HG PRO 44 HG2 PRO 44 -6.878 -4.285 -8.031 357 2HG PRO 44 HG3 PRO 44 -7.297 -5.257 -9.456 358 1HD PRO 44 HD2 PRO 44 -7.626 -2.592 -9.446 359 2HD PRO 44 HD3 PRO 44 -8.767 -3.662 -10.259 360 H VAL 45 HN VAL 45 -8.142 -2.349 -6.466 361 HA VAL 45 HA VAL 45 -8.429 -3.248 -3.708 362 HB VAL 45 HB VAL 45 -6.765 -1.013 -4.889 363 1HG1 VAL 45 HG11 VAL 45 -5.650 -0.932 -2.688 364 2HG1 VAL 45 HG12 VAL 45 -7.345 -0.446 -2.605 365 3HG1 VAL 45 HG13 VAL 45 -6.859 -2.051 -2.057 366 1HG2 VAL 45 HG21 VAL 45 -4.879 -2.495 -4.385 367 2HG2 VAL 45 HG22 VAL 45 -6.007 -3.731 -3.832 368 3HG2 VAL 45 HG23 VAL 45 -6.006 -3.232 -5.522 369 H LYS 46 HN LYS 46 -9.349 -0.550 -5.755 370 HA LYS 46 HA LYS 46 -10.586 1.042 -3.779 371 1HB LYS 46 HB2 LYS 46 -10.002 1.673 -6.174 372 2HB LYS 46 HB3 LYS 46 -11.435 0.783 -6.665 373 1HG LYS 46 HG2 LYS 46 -12.835 2.287 -5.359 374 2HG LYS 46 HG3 LYS 46 -11.399 3.177 -4.837 375 1HD LYS 46 HD2 LYS 46 -10.892 3.629 -7.233 376 2HD LYS 46 HD3 LYS 46 -12.434 2.883 -7.655 377 1HE LYS 46 HE2 LYS 46 -13.576 4.571 -6.243 378 2HE LYS 46 HE3 LYS 46 -12.018 5.338 -5.958 379 1HZ LYS 46 HZ1 LYS 46 -13.101 4.911 -8.678 380 2HZ LYS 46 HZ2 LYS 46 -11.823 5.921 -8.209 381 3HZ LYS 46 HZ3 LYS 46 -13.418 6.316 -7.785 382 H ALA 47 HN ALA 47 -11.555 -1.758 -5.593 383 HA ALA 47 HA ALA 47 -14.328 -1.678 -5.140 384 1HB ALA 47 HB1 ALA 47 -12.579 -4.086 -5.627 385 2HB ALA 47 HB2 ALA 47 -14.330 -4.011 -5.822 386 3HB ALA 47 HB3 ALA 47 -13.283 -3.058 -6.874 387 H ILE 48 HN ILE 48 -11.719 -2.504 -3.051 388 HA ILE 48 HA ILE 48 -13.089 -4.234 -1.278 389 HB ILE 48 HB ILE 48 -10.820 -2.342 -0.594 390 1HG1 ILE 48 HG12 ILE 48 -10.687 -5.229 -1.502 391 2HG1 ILE 48 HG13 ILE 48 -10.350 -3.851 -2.544 392 1HG2 ILE 48 HG21 ILE 48 -10.346 -3.954 1.188 393 2HG2 ILE 48 HG22 ILE 48 -11.964 -3.269 1.353 394 3HG2 ILE 48 HG23 ILE 48 -11.757 -4.898 0.709 395 1HD1 ILE 48 HD11 ILE 48 -8.836 -4.605 -0.062 396 2HD1 ILE 48 HD12 ILE 48 -8.310 -4.859 -1.725 397 3HD1 ILE 48 HD13 ILE 48 -8.493 -3.221 -1.100 398 H CYS 49 HN CYS 49 -12.916 -0.773 -1.654 399 HA CYS 49 HA CYS 49 -14.438 -0.359 0.810 400 1HB CYS 49 HB2 CYS 49 -13.039 1.587 -1.031 401 2HB CYS 49 HB3 CYS 49 -13.878 2.027 0.453 402 H LYS 50 HN LYS 50 -15.257 -1.196 -2.129 403 HA LYS 50 HA LYS 50 -16.997 0.794 -3.082 404 1HB LYS 50 HB2 LYS 50 -16.178 -1.091 -4.453 405 2HB LYS 50 HB3 LYS 50 -17.168 -2.193 -3.504 406 1HG LYS 50 HG2 LYS 50 -19.176 -1.237 -4.328 407 2HG LYS 50 HG3 LYS 50 -18.310 0.119 -5.049 408 1HD LYS 50 HD2 LYS 50 -18.927 -1.424 -6.787 409 2HD LYS 50 HD3 LYS 50 -17.178 -1.473 -6.574 410 1HE LYS 50 HE2 LYS 50 -18.016 -3.717 -6.845 411 2HE LYS 50 HE3 LYS 50 -17.436 -3.504 -5.195 412 1HZ LYS 50 HZ1 LYS 50 -20.288 -3.190 -5.923 413 2HZ LYS 50 HZ2 LYS 50 -19.613 -3.392 -4.377 414 3HZ LYS 50 HZ3 LYS 50 -19.620 -4.684 -5.472 415 H GLY 51 HN GLY 51 -18.662 1.588 -2.064 416 1HA GLY 51 HA1 GLY 51 -20.923 1.357 -1.351 417 2HA GLY 51 HA2 GLY 51 -20.538 -0.254 -0.766 418 H ILE 52 HN ILE 52 -17.988 1.507 0.204 419 HA ILE 52 HA ILE 52 -19.196 1.935 2.847 420 HB ILE 52 HB ILE 52 -16.244 1.933 2.239 421 1HG1 ILE 52 HG12 ILE 52 -17.119 -0.216 1.482 422 2HG1 ILE 52 HG13 ILE 52 -16.199 -0.424 2.966 423 1HG2 ILE 52 HG21 ILE 52 -16.869 2.909 4.361 424 2HG2 ILE 52 HG22 ILE 52 -17.818 1.478 4.769 425 3HG2 ILE 52 HG23 ILE 52 -16.063 1.361 4.626 426 1HD1 ILE 52 HD11 ILE 52 -19.197 -0.318 2.767 427 2HD1 ILE 52 HD12 ILE 52 -18.223 -1.775 2.950 428 3HD1 ILE 52 HD13 ILE 52 -18.262 -0.573 4.241 429 H ILE 53 HN ILE 53 -20.078 3.972 2.633 430 HA ILE 53 HA ILE 53 -18.555 6.123 1.488 431 HB ILE 53 HB ILE 53 -21.295 5.938 2.706 432 1HG1 ILE 53 HG12 ILE 53 -21.982 6.657 0.450 433 2HG1 ILE 53 HG13 ILE 53 -20.303 6.701 -0.052 434 1HG2 ILE 53 HG21 ILE 53 -20.414 8.069 3.434 435 2HG2 ILE 53 HG22 ILE 53 -19.897 8.447 1.789 436 3HG2 ILE 53 HG23 ILE 53 -21.617 8.320 2.167 437 1HD1 ILE 53 HD11 ILE 53 -21.347 4.716 -0.882 438 2HD1 ILE 53 HD12 ILE 53 -20.175 4.271 0.359 439 3HD1 ILE 53 HD13 ILE 53 -21.899 4.280 0.736 440 H ALA 54 HN ALA 54 -19.737 5.280 4.740 441 HA ALA 54 HA ALA 54 -18.492 7.567 5.953 442 1HB ALA 54 HB1 ALA 54 -19.547 5.048 7.238 443 2HB ALA 54 HB2 ALA 54 -19.145 6.552 8.067 444 3HB ALA 54 HB3 ALA 54 -20.485 6.507 6.922 445 H SER 55 HN SER 55 -16.536 7.733 6.904 446 HA SER 55 HA SER 55 -14.403 6.118 6.224 447 1HB SER 55 HB2 SER 55 -14.325 8.459 7.191 448 2HB SER 55 HB3 SER 55 -14.559 7.730 8.779 449 HG SER 55 HG SER 55 -12.413 7.279 6.982 450 H LYS 56 HN LYS 56 -14.371 3.987 6.581 451 HA LYS 56 HA LYS 56 -14.643 3.037 9.343 452 1HB LYS 56 HB2 LYS 56 -16.812 2.673 8.324 453 2HB LYS 56 HB3 LYS 56 -16.067 1.922 6.922 454 1HG LYS 56 HG2 LYS 56 -15.309 0.065 8.314 455 2HG LYS 56 HG3 LYS 56 -16.060 0.818 9.723 456 1HD LYS 56 HD2 LYS 56 -18.248 0.637 8.677 457 2HD LYS 56 HD3 LYS 56 -17.515 -0.042 7.223 458 1HE LYS 56 HE2 LYS 56 -16.772 -1.979 8.458 459 2HE LYS 56 HE3 LYS 56 -17.378 -1.290 9.964 460 1HZ LYS 56 HZ1 LYS 56 -19.005 -2.131 7.621 461 2HZ LYS 56 HZ2 LYS 56 -19.625 -1.358 8.999 462 3HZ LYS 56 HZ3 LYS 56 -18.926 -2.899 9.137 463 H ASN 57 HN ASN 57 -13.094 1.636 9.895 464 HA ASN 57 HA ASN 57 -11.107 0.815 7.996 465 1HB ASN 57 HB2 ASN 57 -11.553 0.024 10.884 466 2HB ASN 57 HB3 ASN 57 -10.164 -0.471 9.925 467 1HD2 ASN 57 HD21 ASN 57 -10.305 1.061 12.372 468 2HD2 ASN 57 HD22 ASN 57 -9.514 2.570 12.041 469 H VAL 58 HN VAL 58 -11.292 -0.872 6.664 470 HA VAL 58 HA VAL 58 -12.898 -3.155 7.600 471 HB VAL 58 HB VAL 58 -13.674 -3.610 5.395 472 1HG1 VAL 58 HG11 VAL 58 -13.967 -0.665 5.919 473 2HG1 VAL 58 HG12 VAL 58 -15.008 -1.640 4.885 474 3HG1 VAL 58 HG13 VAL 58 -14.953 -1.947 6.621 475 1HG2 VAL 58 HG21 VAL 58 -11.654 -3.016 4.168 476 2HG2 VAL 58 HG22 VAL 58 -13.092 -2.294 3.446 477 3HG2 VAL 58 HG23 VAL 58 -12.005 -1.306 4.422 478 H LEU 59 HN LEU 59 -12.005 -5.104 7.476 479 HA LEU 59 HA LEU 59 -9.252 -5.316 6.538 480 1HB LEU 59 HB2 LEU 59 -10.008 -6.009 8.860 481 2HB LEU 59 HB3 LEU 59 -10.893 -7.304 8.100 482 HG LEU 59 HG LEU 59 -8.600 -7.809 9.138 483 1HD1 LEU 59 HD11 LEU 59 -8.108 -9.492 7.461 484 2HD1 LEU 59 HD12 LEU 59 -9.836 -9.402 7.803 485 3HD1 LEU 59 HD13 LEU 59 -9.190 -8.680 6.329 486 1HD2 LEU 59 HD21 LEU 59 -6.699 -7.491 7.646 487 2HD2 LEU 59 HD22 LEU 59 -7.725 -6.576 6.542 488 3HD2 LEU 59 HD23 LEU 59 -7.396 -5.954 8.159 489 H THR 60 HN THR 60 -8.685 -6.662 4.861 490 HA THR 60 HA THR 60 -10.773 -7.129 2.973 491 HB THR 60 HB THR 60 -8.983 -8.042 1.508 492 HG1 THR 60 HG1 THR 60 -7.297 -8.794 2.524 493 1HG2 THR 60 HG21 THR 60 -9.462 -5.659 1.488 494 2HG2 THR 60 HG22 THR 60 -7.733 -5.939 1.276 495 3HG2 THR 60 HG23 THR 60 -8.355 -5.409 2.838 496 H THR 61 HN THR 61 -11.565 -8.978 2.157 497 HA THR 61 HA THR 61 -11.824 -11.169 3.937 498 HB THR 61 HB THR 61 -13.099 -12.134 1.945 499 HG1 THR 61 HG1 THR 61 -13.573 -10.420 0.350 500 1HG2 THR 61 HG21 THR 61 -13.845 -9.401 3.001 501 2HG2 THR 61 HG22 THR 61 -14.234 -10.952 3.749 502 3HG2 THR 61 HG23 THR 61 -14.952 -10.515 2.198 503 H SER 62 HN SER 62 -9.663 -10.415 1.429 504 HA SER 62 HA SER 62 -8.704 -13.180 1.290 505 1HB SER 62 HB2 SER 62 -8.878 -11.280 -1.065 506 2HB SER 62 HB3 SER 62 -8.353 -12.964 -1.102 507 HG SER 62 HG SER 62 -10.513 -13.500 -0.345 508 H GLU 63 HN GLU 63 -6.446 -13.373 0.737 509 HA GLU 63 HA GLU 63 -4.879 -11.170 1.768 510 1HB GLU 63 HB2 GLU 63 -3.859 -13.832 0.768 511 2HB GLU 63 HB3 GLU 63 -3.016 -12.681 1.783 512 1HG GLU 63 HG2 GLU 63 -3.663 -14.409 3.211 513 2HG GLU 63 HG3 GLU 63 -4.794 -13.099 3.529 514 H PHE 64 HN PHE 64 -3.673 -9.829 0.587 515 HA PHE 64 HA PHE 64 -3.653 -10.260 -2.318 516 1HB PHE 64 HB2 PHE 64 -3.420 -7.760 -0.655 517 2HB PHE 64 HB3 PHE 64 -3.047 -7.786 -2.372 518 HD1 PHE 64 HD1 PHE 64 -4.743 -7.576 -3.964 519 HD2 PHE 64 HD2 PHE 64 -5.760 -8.426 0.080 520 HE1 PHE 64 HE1 PHE 64 -7.120 -7.217 -4.489 521 HE2 PHE 64 HE2 PHE 64 -8.138 -8.071 -0.440 522 HZ PHE 64 HZ PHE 64 -8.820 -7.466 -2.727 523 H TYR 65 HN TYR 65 -1.678 -9.368 -3.417 524 HA TYR 65 HA TYR 65 0.617 -10.605 -2.168 525 1HB TYR 65 HB2 TYR 65 0.370 -9.273 -4.873 526 2HB TYR 65 HB3 TYR 65 1.711 -10.276 -4.328 527 HD1 TYR 65 HD1 TYR 65 -1.400 -10.238 -6.023 528 HD2 TYR 65 HD2 TYR 65 1.121 -12.704 -3.643 529 HE1 TYR 65 HE1 TYR 65 -2.561 -12.236 -6.869 530 HE2 TYR 65 HE2 TYR 65 -0.030 -14.703 -4.484 531 HH TYR 65 HH TYR 65 -2.115 -15.351 -5.475 532 H LEU 66 HN LEU 66 1.495 -9.377 -0.616 533 HA LEU 66 HA LEU 66 1.714 -6.497 -1.090 534 1HB LEU 66 HB2 LEU 66 2.085 -8.032 1.475 535 2HB LEU 66 HB3 LEU 66 2.009 -6.287 1.302 536 HG LEU 66 HG LEU 66 -0.249 -8.203 0.742 537 1HD1 LEU 66 HD11 LEU 66 0.164 -6.258 3.005 538 2HD1 LEU 66 HD12 LEU 66 -1.285 -7.224 2.723 539 3HD1 LEU 66 HD13 LEU 66 0.241 -8.017 3.118 540 1HD2 LEU 66 HD21 LEU 66 -0.158 -5.192 0.681 541 2HD2 LEU 66 HD22 LEU 66 -0.381 -6.266 -0.700 542 3HD2 LEU 66 HD23 LEU 66 -1.620 -6.170 0.551 543 H SER 67 HN SER 67 3.612 -5.441 -1.077 544 HA SER 67 HA SER 67 6.052 -7.003 -0.544 545 1HB SER 67 HB2 SER 67 5.637 -4.961 -2.748 546 2HB SER 67 HB3 SER 67 7.160 -5.768 -2.380 547 HG SER 67 HG SER 67 6.466 -7.201 -3.754 548 H ASP 68 HN ASP 68 6.867 -6.176 1.264 549 HA ASP 68 HA ASP 68 6.359 -3.354 1.861 550 1HB ASP 68 HB2 ASP 68 5.576 -4.914 3.539 551 2HB ASP 68 HB3 ASP 68 7.171 -5.652 3.639 552 H CYS 69 HN CYS 69 7.915 -1.972 1.458 553 HA CYS 69 HA CYS 69 10.671 -2.894 1.267 554 1HB CYS 69 HB2 CYS 69 9.425 -0.190 0.724 555 2HB CYS 69 HB3 CYS 69 11.096 -0.620 0.385 556 H ASN 70 HN ASN 70 11.985 -2.787 2.963 557 HA ASN 70 HA ASN 70 11.397 -0.798 5.056 558 1HB ASN 70 HB2 ASN 70 12.139 -2.512 6.729 559 2HB ASN 70 HB3 ASN 70 10.633 -2.905 5.910 560 1HD2 ASN 70 HD21 ASN 70 10.581 -4.617 4.455 561 2HD2 ASN 70 HD22 ASN 70 11.842 -5.797 4.378 562 H VAL 71 HN VAL 71 13.062 0.175 6.041 563 HA VAL 71 HA VAL 71 15.482 0.418 4.607 564 HB VAL 71 HB VAL 71 14.444 2.231 5.930 565 1HG1 VAL 71 HG11 VAL 71 13.716 0.973 7.863 566 2HG1 VAL 71 HG12 VAL 71 15.392 0.680 8.331 567 3HG1 VAL 71 HG13 VAL 71 14.742 2.322 8.352 568 1HG2 VAL 71 HG21 VAL 71 16.764 2.444 5.297 569 2HG2 VAL 71 HG22 VAL 71 16.521 3.126 6.905 570 3HG2 VAL 71 HG23 VAL 71 17.270 1.538 6.724 571 H THR 72 HN THR 72 17.485 -0.457 4.917 572 HA THR 72 HA THR 72 17.560 -2.743 6.737 573 HB THR 72 HB THR 72 19.575 -3.438 5.414 574 HG1 THR 72 HG1 THR 72 19.925 -2.360 3.422 575 1HG2 THR 72 HG21 THR 72 17.016 -2.985 3.878 576 2HG2 THR 72 HG22 THR 72 17.381 -4.359 4.923 577 3HG2 THR 72 HG23 THR 72 18.287 -4.121 3.429 578 H SER 73 HN SER 73 20.530 -1.365 5.619 579 HA SER 73 HA SER 73 21.252 -0.802 8.406 580 1HB SER 73 HB2 SER 73 23.073 -1.329 6.082 581 2HB SER 73 HB3 SER 73 23.549 -1.195 7.769 582 HG SER 73 HG SER 73 22.684 -3.345 6.436 583 H ARG 74 HN ARG 74 20.941 0.619 5.279 584 HA ARG 74 HA ARG 74 22.213 3.075 6.246 585 1HB ARG 74 HB2 ARG 74 23.433 2.353 4.350 586 2HB ARG 74 HB3 ARG 74 21.972 1.878 3.490 587 1HG ARG 74 HG2 ARG 74 21.330 4.292 3.486 588 2HG ARG 74 HG3 ARG 74 22.960 4.654 4.054 589 1HD ARG 74 HD2 ARG 74 23.898 3.610 2.061 590 2HD ARG 74 HD3 ARG 74 22.277 3.185 1.507 591 HE ARG 74 HE ARG 74 23.335 5.931 1.726 592 1HH1 ARG 74 HH12 ARG 74 21.098 3.616 0.352 593 2HH1 ARG 74 HH11 ARG 74 20.394 4.759 -0.751 594 1HH2 ARG 74 HH22 ARG 74 22.433 7.431 0.260 595 2HH2 ARG 74 HH21 ARG 74 21.164 6.914 -0.814 596 HA PRO 75 HA PRO 75 18.127 4.915 6.196 597 1HB PRO 75 HB2 PRO 75 19.746 7.352 5.626 598 2HB PRO 75 HB3 PRO 75 18.495 7.092 6.848 599 1HG PRO 75 HG2 PRO 75 21.062 7.148 7.536 600 2HG PRO 75 HG3 PRO 75 19.947 5.991 8.287 601 1HD PRO 75 HD2 PRO 75 22.012 5.537 6.174 602 2HD PRO 75 HD3 PRO 75 21.522 4.485 7.518 603 H CYS 76 HN CYS 76 16.783 5.002 4.550 604 HA CYS 76 HA CYS 76 15.878 5.320 2.503 605 1HB CYS 76 HB2 CYS 76 17.106 7.534 2.609 606 2HB CYS 76 HB3 CYS 76 18.379 6.783 1.660 607 H LYS 77 HN LYS 77 18.189 3.270 3.200 608 HA LYS 77 HA LYS 77 18.153 2.121 0.483 609 1HB LYS 77 HB2 LYS 77 20.436 2.374 1.474 610 2HB LYS 77 HB3 LYS 77 19.942 1.325 2.798 611 1HG LYS 77 HG2 LYS 77 19.456 -0.446 1.097 612 2HG LYS 77 HG3 LYS 77 20.196 0.604 -0.110 613 1HD LYS 77 HD2 LYS 77 22.283 0.591 1.211 614 2HD LYS 77 HD3 LYS 77 21.528 -0.533 2.344 615 1HE LYS 77 HE2 LYS 77 21.185 -2.122 0.475 616 2HE LYS 77 HE3 LYS 77 22.050 -1.014 -0.589 617 1HZ LYS 77 HZ1 LYS 77 23.166 -2.360 1.811 618 2HZ LYS 77 HZ2 LYS 77 24.006 -1.259 0.835 619 3HZ LYS 77 HZ3 LYS 77 23.509 -2.751 0.196 620 H TYR 78 HN TYR 78 17.059 0.195 0.199 621 HA TYR 78 HA TYR 78 15.701 -0.825 2.601 622 1HB TYR 78 HB2 TYR 78 14.353 -0.272 -0.044 623 2HB TYR 78 HB3 TYR 78 13.587 -0.876 1.421 624 HD1 TYR 78 HD1 TYR 78 13.148 0.598 3.291 625 HD2 TYR 78 HD2 TYR 78 14.961 2.054 -0.268 626 HE1 TYR 78 HE1 TYR 78 12.678 2.899 4.002 627 HE2 TYR 78 HE2 TYR 78 14.494 4.361 0.433 628 HH TYR 78 HH TYR 78 13.226 5.612 1.878 629 H LYS 79 HN LYS 79 14.812 -2.902 2.455 630 HA LYS 79 HA LYS 79 15.391 -4.421 0.015 631 1HB LYS 79 HB2 LYS 79 17.004 -5.029 1.858 632 2HB LYS 79 HB3 LYS 79 15.628 -5.571 2.806 633 1HG LYS 79 HG2 LYS 79 16.927 -7.355 1.578 634 2HG LYS 79 HG3 LYS 79 15.179 -7.354 1.338 635 1HD LYS 79 HD2 LYS 79 16.392 -7.709 -0.767 636 2HD LYS 79 HD3 LYS 79 15.446 -6.223 -0.797 637 1HE LYS 79 HE2 LYS 79 17.538 -4.987 -0.187 638 2HE LYS 79 HE3 LYS 79 18.422 -6.496 -0.408 639 1HZ LYS 79 HZ1 LYS 79 17.601 -6.552 -2.718 640 2HZ LYS 79 HZ2 LYS 79 18.550 -5.189 -2.400 641 3HZ LYS 79 HZ3 LYS 79 16.867 -5.040 -2.488 642 H LEU 80 HN LEU 80 13.912 -6.372 -0.099 643 HA LEU 80 HA LEU 80 11.269 -5.303 0.402 644 1HB LEU 80 HB2 LEU 80 12.467 -7.227 -1.510 645 2HB LEU 80 HB3 LEU 80 10.769 -7.396 -1.127 646 HG LEU 80 HG LEU 80 11.719 -4.710 -1.856 647 1HD1 LEU 80 HD11 LEU 80 12.821 -6.138 -3.507 648 2HD1 LEU 80 HD12 LEU 80 11.277 -6.915 -3.862 649 3HD1 LEU 80 HD13 LEU 80 11.514 -5.208 -4.240 650 1HD2 LEU 80 HD21 LEU 80 9.244 -6.285 -2.521 651 2HD2 LEU 80 HD22 LEU 80 9.400 -5.123 -1.204 652 3HD2 LEU 80 HD23 LEU 80 9.522 -4.580 -2.877 653 H LYS 81 HN LYS 81 9.584 -6.429 1.203 654 HA LYS 81 HA LYS 81 10.092 -9.080 2.375 655 1HB LYS 81 HB2 LYS 81 9.864 -7.333 4.141 656 2HB LYS 81 HB3 LYS 81 8.280 -6.926 3.501 657 1HG LYS 81 HG2 LYS 81 7.533 -9.233 4.008 658 2HG LYS 81 HG3 LYS 81 9.103 -9.537 4.753 659 1HD LYS 81 HD2 LYS 81 7.655 -8.964 6.533 660 2HD LYS 81 HD3 LYS 81 8.623 -7.519 6.227 661 1HE LYS 81 HE2 LYS 81 6.643 -6.899 4.632 662 2HE LYS 81 HE3 LYS 81 5.744 -8.040 5.631 663 1HZ LYS 81 HZ1 LYS 81 6.485 -6.716 7.588 664 2HZ LYS 81 HZ2 LYS 81 5.457 -5.877 6.536 665 3HZ LYS 81 HZ3 LYS 81 7.124 -5.566 6.517 666 H LYS 82 HN LYS 82 9.143 -10.345 0.900 667 HA LYS 82 HA LYS 82 6.667 -9.447 -0.371 668 1HB LYS 82 HB2 LYS 82 8.541 -11.713 -1.088 669 2HB LYS 82 HB3 LYS 82 7.152 -11.191 -2.035 670 1HG LYS 82 HG2 LYS 82 8.175 -9.154 -2.609 671 2HG LYS 82 HG3 LYS 82 9.425 -9.344 -1.380 672 1HD LYS 82 HD2 LYS 82 10.348 -11.242 -2.613 673 2HD LYS 82 HD3 LYS 82 9.087 -11.065 -3.831 674 1HE LYS 82 HE2 LYS 82 9.919 -8.863 -4.414 675 2HE LYS 82 HE3 LYS 82 11.119 -8.952 -3.128 676 1HZ LYS 82 HZ1 LYS 82 11.006 -10.721 -5.515 677 2HZ LYS 82 HZ2 LYS 82 12.169 -10.801 -4.283 678 3HZ LYS 82 HZ3 LYS 82 12.091 -9.433 -5.288 679 H SER 83 HN SER 83 4.829 -10.159 0.455 680 HA SER 83 HA SER 83 4.557 -12.933 1.254 681 1HB SER 83 HB2 SER 83 3.532 -12.197 3.472 682 2HB SER 83 HB3 SER 83 5.287 -12.056 3.346 683 HG SER 83 HG SER 83 3.434 -9.941 2.923 684 H THR 84 HN THR 84 2.343 -13.563 1.544 685 HA THR 84 HA THR 84 0.451 -11.728 0.230 686 HB THR 84 HB THR 84 0.139 -14.719 0.550 687 HG1 THR 84 HG1 THR 84 2.062 -13.812 -0.730 688 1HG2 THR 84 HG21 THR 84 -1.110 -12.709 -1.335 689 2HG2 THR 84 HG22 THR 84 -1.910 -13.494 0.029 690 3HG2 THR 84 HG23 THR 84 -1.395 -14.450 -1.362 691 H ASN 85 HN ASN 85 -0.911 -10.754 1.588 692 HA ASN 85 HA ASN 85 -2.055 -12.186 3.837 693 1HB ASN 85 HB2 ASN 85 0.217 -10.839 4.428 694 2HB ASN 85 HB3 ASN 85 -0.970 -9.560 4.589 695 1HD2 ASN 85 HD21 ASN 85 0.645 -10.745 6.646 696 2HD2 ASN 85 HD22 ASN 85 -0.454 -11.411 7.809 697 H LYS 86 HN LYS 86 -3.887 -11.069 4.760 698 HA LYS 86 HA LYS 86 -5.287 -9.345 2.966 699 1HB LYS 86 HB2 LYS 86 -5.937 -9.626 5.889 700 2HB LYS 86 HB3 LYS 86 -7.036 -9.395 4.538 701 1HG LYS 86 HG2 LYS 86 -6.542 -11.703 3.796 702 2HG LYS 86 HG3 LYS 86 -5.545 -11.916 5.238 703 1HD LYS 86 HD2 LYS 86 -7.621 -11.176 6.540 704 2HD LYS 86 HD3 LYS 86 -8.496 -11.463 5.047 705 1HE LYS 86 HE2 LYS 86 -6.727 -13.586 6.169 706 2HE LYS 86 HE3 LYS 86 -8.341 -13.340 6.836 707 1HZ LYS 86 HZ1 LYS 86 -7.696 -13.947 3.996 708 2HZ LYS 86 HZ2 LYS 86 -9.255 -13.675 4.617 709 3HZ LYS 86 HZ3 LYS 86 -8.364 -15.022 5.127 710 H PHE 87 HN PHE 87 -6.129 -7.143 3.858 711 HA PHE 87 HA PHE 87 -4.409 -5.949 5.848 712 1HB PHE 87 HB2 PHE 87 -3.817 -3.990 4.428 713 2HB PHE 87 HB3 PHE 87 -3.043 -5.491 3.943 714 HD1 PHE 87 HD1 PHE 87 -3.377 -6.387 1.768 715 HD2 PHE 87 HD2 PHE 87 -5.715 -3.089 3.096 716 HE1 PHE 87 HE1 PHE 87 -4.220 -6.069 -0.520 717 HE2 PHE 87 HE2 PHE 87 -6.560 -2.766 0.807 718 HZ PHE 87 HZ PHE 87 -5.724 -4.213 -1.030 719 H CYS 88 HN CYS 88 -5.153 -3.955 6.648 720 HA CYS 88 HA CYS 88 -8.056 -3.681 6.341 721 1HB CYS 88 HB2 CYS 88 -7.100 -4.129 8.607 722 2HB CYS 88 HB3 CYS 88 -6.223 -2.609 8.501 723 H VAL 89 HN VAL 89 -8.825 -1.961 5.291 724 HA VAL 89 HA VAL 89 -7.082 0.397 5.025 725 HB VAL 89 HB VAL 89 -8.346 0.863 2.869 726 1HG1 VAL 89 HG11 VAL 89 -6.574 -1.574 2.990 727 2HG1 VAL 89 HG12 VAL 89 -6.914 -0.617 1.547 728 3HG1 VAL 89 HG13 VAL 89 -6.040 0.104 2.896 729 1HG2 VAL 89 HG21 VAL 89 -10.207 -0.670 3.172 730 2HG2 VAL 89 HG22 VAL 89 -9.310 -1.092 1.711 731 3HG2 VAL 89 HG23 VAL 89 -9.101 -2.044 3.185 732 H THR 90 HN THR 90 -7.965 2.376 5.414 733 HA THR 90 HA THR 90 -10.557 2.420 6.683 734 HB THR 90 HB THR 90 -8.780 4.777 6.028 735 HG1 THR 90 HG1 THR 90 -8.853 3.104 8.347 736 1HG2 THR 90 HG21 THR 90 -11.085 5.362 6.597 737 2HG2 THR 90 HG22 THR 90 -9.971 5.867 7.867 738 3HG2 THR 90 HG23 THR 90 -10.961 4.423 8.086 739 H CYS 91 HN CYS 91 -12.268 2.336 5.338 740 HA CYS 91 HA CYS 91 -12.049 3.540 2.693 741 1HB CYS 91 HB2 CYS 91 -14.220 1.828 3.904 742 2HB CYS 91 HB3 CYS 91 -14.098 2.301 2.210 743 H GLU 92 HN GLU 92 -12.932 5.416 2.160 744 HA GLU 92 HA GLU 92 -15.415 6.230 3.451 745 1HB GLU 92 HB2 GLU 92 -13.539 7.422 4.621 746 2HB GLU 92 HB3 GLU 92 -13.138 8.169 3.082 747 1HG GLU 92 HG2 GLU 92 -15.408 9.143 3.002 748 2HG GLU 92 HG3 GLU 92 -15.719 8.464 4.595 749 H ASN 93 HN ASN 93 -16.814 7.168 2.060 750 HA ASN 93 HA ASN 93 -17.784 7.717 0.083 751 1HB ASN 93 HB2 ASN 93 -15.053 8.888 -0.512 752 2HB ASN 93 HB3 ASN 93 -16.528 9.230 -1.412 753 1HD2 ASN 93 HD21 ASN 93 -14.774 11.016 0.077 754 2HD2 ASN 93 HD22 ASN 93 -15.769 11.781 1.277 755 H GLN 94 HN GLN 94 -16.470 5.148 0.367 756 HA GLN 94 HA GLN 94 -16.378 3.256 -0.866 757 1HB GLN 94 HB2 GLN 94 -17.007 5.030 -3.226 758 2HB GLN 94 HB3 GLN 94 -17.039 3.271 -3.226 759 1HG GLN 94 HG2 GLN 94 -18.799 3.351 -1.488 760 2HG GLN 94 HG3 GLN 94 -18.807 5.105 -1.630 761 1HE2 GLN 94 HE21 GLN 94 -18.297 3.088 -4.401 762 2HE2 GLN 94 HE22 GLN 94 -19.840 3.367 -5.137 763 H ALA 95 HN ALA 95 -14.116 5.326 -0.619 764 HA ALA 95 HA ALA 95 -12.309 3.861 -2.416 765 1HB ALA 95 HB1 ALA 95 -11.063 5.911 -2.870 766 2HB ALA 95 HB2 ALA 95 -12.736 6.050 -3.410 767 3HB ALA 95 HB3 ALA 95 -12.224 6.834 -1.915 768 HA PRO 96 HA PRO 96 -9.823 3.352 1.295 769 1HB PRO 96 HB2 PRO 96 -7.635 2.906 -0.617 770 2HB PRO 96 HB3 PRO 96 -8.268 1.832 0.633 771 1HG PRO 96 HG2 PRO 96 -8.679 1.409 -2.007 772 2HG PRO 96 HG3 PRO 96 -9.837 0.924 -0.761 773 1HD PRO 96 HD2 PRO 96 -9.944 3.212 -2.651 774 2HD PRO 96 HD3 PRO 96 -11.264 2.236 -1.983 775 H VAL 97 HN VAL 97 -9.517 5.365 2.157 776 HA VAL 97 HA VAL 97 -7.762 7.203 0.685 777 HB VAL 97 HB VAL 97 -8.703 8.986 2.151 778 1HG1 VAL 97 HG11 VAL 97 -10.858 9.120 1.006 779 2HG1 VAL 97 HG12 VAL 97 -9.585 8.600 -0.097 780 3HG1 VAL 97 HG13 VAL 97 -10.727 7.423 0.549 781 1HG2 VAL 97 HG21 VAL 97 -9.368 7.563 4.020 782 2HG2 VAL 97 HG22 VAL 97 -10.735 8.508 3.423 783 3HG2 VAL 97 HG23 VAL 97 -10.595 6.799 3.007 784 H HIS 98 HN HIS 98 -7.914 5.258 3.473 785 HA HIS 98 HA HIS 98 -5.328 6.330 4.318 786 1HB HIS 98 HB2 HIS 98 -7.559 5.739 6.284 787 2HB HIS 98 HB3 HIS 98 -5.935 6.262 6.685 788 HD1 HIS 98 HD1 HIS 98 -5.341 8.779 5.716 789 HD2 HIS 98 HD2 HIS 98 -9.342 7.739 6.108 790 HE1 HIS 98 HE1 HIS 98 -6.608 10.946 5.683 791 HE2 HIS 98 HE2 HIS 98 -9.038 10.271 5.682 792 H PHE 99 HN PHE 99 -3.949 4.763 5.162 793 HA PHE 99 HA PHE 99 -4.921 2.005 4.820 794 1HB PHE 99 HB2 PHE 99 -3.003 2.751 3.395 795 2HB PHE 99 HB3 PHE 99 -2.063 3.006 4.862 796 HD1 PHE 99 HD1 PHE 99 -0.868 1.242 5.828 797 HD2 PHE 99 HD2 PHE 99 -3.866 0.412 2.922 798 HE1 PHE 99 HE1 PHE 99 -0.157 -1.110 5.770 799 HE2 PHE 99 HE2 PHE 99 -3.160 -1.942 2.861 800 HZ PHE 99 HZ PHE 99 -1.305 -2.707 4.286 801 H VAL 100 HN VAL 100 -5.006 0.665 6.508 802 HA VAL 100 HA VAL 100 -4.299 1.723 9.129 803 HB VAL 100 HB VAL 100 -5.807 -0.787 8.366 804 1HG1 VAL 100 HG11 VAL 100 -4.774 -1.046 10.533 805 2HG1 VAL 100 HG12 VAL 100 -5.416 0.512 11.059 806 3HG1 VAL 100 HG13 VAL 100 -6.513 -0.828 10.723 807 1HG2 VAL 100 HG21 VAL 100 -7.800 0.464 9.117 808 2HG2 VAL 100 HG22 VAL 100 -6.797 1.901 9.317 809 3HG2 VAL 100 HG23 VAL 100 -7.029 1.201 7.714 810 H GLY 101 HN GLY 101 -4.099 -1.576 7.810 811 1HA GLY 101 HA1 GLY 101 -1.287 -1.822 7.951 812 2HA GLY 101 HA2 GLY 101 -2.002 -2.450 9.434 813 H VAL 102 HN VAL 102 -0.827 -4.426 8.308 814 HA VAL 102 HA VAL 102 -2.754 -5.642 6.445 815 HB VAL 102 HB VAL 102 -1.120 -6.863 5.422 816 1HG1 VAL 102 HG11 VAL 102 -0.682 -4.545 4.966 817 2HG1 VAL 102 HG12 VAL 102 0.363 -4.429 6.383 818 3HG1 VAL 102 HG13 VAL 102 0.838 -5.438 5.014 819 1HG2 VAL 102 HG21 VAL 102 -0.285 -7.993 7.423 820 2HG2 VAL 102 HG22 VAL 102 1.025 -7.514 6.346 821 3HG2 VAL 102 HG23 VAL 102 0.701 -6.579 7.808 822 H GLY 103 HN GLY 103 -3.251 -7.882 6.689 823 1HA GLY 103 HA1 GLY 103 -3.408 -9.879 7.918 824 2HA GLY 103 HA2 GLY 103 -2.683 -9.072 9.300 825 H SER 104 HN SER 104 -4.158 -7.109 10.022 826 HA SER 104 HA SER 104 -6.990 -7.662 9.870 827 1HB SER 104 HB2 SER 104 -7.106 -7.863 12.410 828 2HB SER 104 HB3 SER 104 -6.472 -9.267 11.553 829 HG SER 104 HG SER 104 -5.150 -7.397 13.185 830 H CYS 105 HN CYS 105 -8.211 -6.128 11.320 831 HA CYS 105 HA CYS 105 -6.979 -3.489 11.236 832 1HB CYS 105 HB2 CYS 105 -9.771 -4.333 12.058 833 2HB CYS 105 HB3 CYS 105 -9.225 -2.673 11.860 Start of MODEL 5 1 1H MET 1 H1 MET 1 -2.897 15.389 -0.242 2 2H MET 1 H2 MET 1 -2.428 15.664 1.363 3 3H MET 1 H3 MET 1 -3.346 16.829 0.536 4 HA MET 1 HA MET 1 -4.743 15.647 2.055 5 1HB MET 1 HB2 MET 1 -5.185 14.862 -0.834 6 2HB MET 1 HB3 MET 1 -6.389 14.683 0.430 7 1HG MET 1 HG2 MET 1 -5.179 17.283 -0.474 8 2HG MET 1 HG3 MET 1 -6.766 16.671 -0.931 9 1HE MET 1 HE1 MET 1 -6.347 19.558 0.280 10 2HE MET 1 HE2 MET 1 -7.922 18.894 -0.156 11 3HE MET 1 HE3 MET 1 -7.684 19.628 1.429 12 H GLN 2 HN GLN 2 -5.723 13.634 2.690 13 HA GLN 2 HA GLN 2 -4.049 11.291 2.075 14 1HB GLN 2 HB2 GLN 2 -5.950 11.661 4.403 15 2HB GLN 2 HB3 GLN 2 -4.837 10.324 4.157 16 1HG GLN 2 HG2 GLN 2 -3.934 13.168 4.518 17 2HG GLN 2 HG3 GLN 2 -4.158 12.047 5.857 18 1HE2 GLN 2 HE21 GLN 2 -2.909 11.088 2.719 19 2HE2 GLN 2 HE22 GLN 2 -1.307 10.747 3.261 20 H ASP 3 HN ASP 3 -5.062 10.738 0.173 21 HA ASP 3 HA ASP 3 -7.887 9.972 0.328 22 1HB ASP 3 HB2 ASP 3 -8.438 11.189 -1.669 23 2HB ASP 3 HB3 ASP 3 -7.658 12.320 -0.567 24 H TRP 4 HN TRP 4 -8.370 9.232 -2.167 25 HA TRP 4 HA TRP 4 -7.113 6.724 -2.320 26 1HB TRP 4 HB2 TRP 4 -9.410 7.042 -3.024 27 2HB TRP 4 HB3 TRP 4 -8.905 8.162 -4.284 28 HD1 TRP 4 HD1 TRP 4 -9.244 7.013 -6.533 29 HE1 TRP 4 HE1 TRP 4 -8.757 4.682 -7.521 30 HE3 TRP 4 HE3 TRP 4 -7.481 4.705 -2.326 31 HZ2 TRP 4 HZ2 TRP 4 -7.753 2.213 -6.629 32 HZ3 TRP 4 HZ3 TRP 4 -6.791 2.347 -2.477 33 HH2 TRP 4 HH2 TRP 4 -6.915 1.132 -4.592 34 H LEU 5 HN LEU 5 -6.640 9.712 -4.173 35 HA LEU 5 HA LEU 5 -4.968 8.534 -6.141 36 1HB LEU 5 HB2 LEU 5 -5.385 11.374 -5.235 37 2HB LEU 5 HB3 LEU 5 -4.242 10.959 -6.496 38 HG LEU 5 HG LEU 5 -6.267 11.721 -7.511 39 1HD1 LEU 5 HD11 LEU 5 -6.043 8.728 -7.741 40 2HD1 LEU 5 HD12 LEU 5 -6.856 9.790 -8.893 41 3HD1 LEU 5 HD13 LEU 5 -5.113 9.920 -8.648 42 1HD2 LEU 5 HD21 LEU 5 -8.422 10.648 -7.183 43 2HD2 LEU 5 HD22 LEU 5 -7.715 9.567 -5.983 44 3HD2 LEU 5 HD23 LEU 5 -7.809 11.297 -5.663 45 H THR 6 HN THR 6 -4.336 10.241 -3.109 46 HA THR 6 HA THR 6 -1.503 10.095 -3.297 47 HB THR 6 HB THR 6 -3.203 10.339 -0.804 48 HG1 THR 6 HG1 THR 6 -3.785 12.140 -1.808 49 1HG2 THR 6 HG21 THR 6 -0.877 9.847 -0.296 50 2HG2 THR 6 HG22 THR 6 -1.226 11.534 0.089 51 3HG2 THR 6 HG23 THR 6 -0.344 11.128 -1.383 52 H PHE 7 HN PHE 7 -3.982 8.051 -1.862 53 HA PHE 7 HA PHE 7 -2.352 6.176 -0.564 54 1HB PHE 7 HB2 PHE 7 -4.854 6.410 -0.369 55 2HB PHE 7 HB3 PHE 7 -5.000 5.662 -1.952 56 HD1 PHE 7 HD1 PHE 7 -4.564 5.111 1.584 57 HD2 PHE 7 HD2 PHE 7 -4.270 3.304 -2.259 58 HE1 PHE 7 HE1 PHE 7 -4.582 2.884 2.634 59 HE2 PHE 7 HE2 PHE 7 -4.300 1.075 -1.217 60 HZ PHE 7 HZ PHE 7 -4.500 0.884 1.274 61 H GLN 8 HN GLN 8 -3.563 6.332 -3.880 62 HA GLN 8 HA GLN 8 -2.674 3.883 -4.827 63 1HB GLN 8 HB2 GLN 8 -3.322 6.508 -6.035 64 2HB GLN 8 HB3 GLN 8 -2.438 5.355 -7.017 65 1HG GLN 8 HG2 GLN 8 -4.205 3.715 -6.710 66 2HG GLN 8 HG3 GLN 8 -5.076 4.840 -5.668 67 1HE2 GLN 8 HE21 GLN 8 -6.095 6.606 -6.569 68 2HE2 GLN 8 HE22 GLN 8 -6.429 6.718 -8.265 69 H LYS 9 HN LYS 9 -1.053 7.028 -5.261 70 HA LYS 9 HA LYS 9 1.200 6.163 -6.582 71 1HB LYS 9 HB2 LYS 9 1.008 8.371 -4.526 72 2HB LYS 9 HB3 LYS 9 2.298 8.192 -5.704 73 1HG LYS 9 HG2 LYS 9 0.883 8.716 -7.498 74 2HG LYS 9 HG3 LYS 9 -0.572 8.502 -6.518 75 1HD LYS 9 HD2 LYS 9 0.037 10.439 -5.176 76 2HD LYS 9 HD3 LYS 9 1.514 10.647 -6.117 77 1HE LYS 9 HE2 LYS 9 -1.299 10.829 -7.189 78 2HE LYS 9 HE3 LYS 9 -0.256 12.199 -6.813 79 1HZ LYS 9 HZ1 LYS 9 -0.093 11.850 -9.114 80 2HZ LYS 9 HZ2 LYS 9 0.093 10.176 -8.949 81 3HZ LYS 9 HZ3 LYS 9 1.345 11.221 -8.470 82 H LYS 10 HN LYS 10 0.502 6.055 -3.172 83 HA LYS 10 HA LYS 10 3.263 5.370 -2.522 84 1HB LYS 10 HB2 LYS 10 0.906 6.065 -0.782 85 2HB LYS 10 HB3 LYS 10 2.468 5.584 -0.144 86 1HG LYS 10 HG2 LYS 10 3.477 7.497 -1.387 87 2HG LYS 10 HG3 LYS 10 1.844 8.009 -1.809 88 1HD LYS 10 HD2 LYS 10 2.175 9.276 0.062 89 2HD LYS 10 HD3 LYS 10 1.491 7.830 0.802 90 1HE LYS 10 HE2 LYS 10 4.440 8.407 0.530 91 2HE LYS 10 HE3 LYS 10 3.492 8.700 1.983 92 1HZ LYS 10 HZ1 LYS 10 4.611 6.645 2.245 93 2HZ LYS 10 HZ2 LYS 10 4.105 6.080 0.737 94 3HZ LYS 10 HZ3 LYS 10 2.979 6.275 1.988 95 H HIS 11 HN HIS 11 0.339 3.663 -3.075 96 HA HIS 11 HA HIS 11 1.454 1.385 -1.574 97 1HB HIS 11 HB2 HIS 11 -1.418 2.293 -1.594 98 2HB HIS 11 HB3 HIS 11 -0.909 0.707 -1.027 99 HD1 HIS 11 HD1 HIS 11 0.962 0.852 1.012 100 HD2 HIS 11 HD2 HIS 11 -1.454 4.175 0.340 101 HE1 HIS 11 HE1 HIS 11 1.062 2.205 3.132 102 HE2 HIS 11 HE2 HIS 11 -0.494 4.157 2.746 103 H ILE 12 HN ILE 12 0.171 2.441 -4.559 104 HA ILE 12 HA ILE 12 -0.657 -0.286 -5.252 105 HB ILE 12 HB ILE 12 -1.108 2.312 -6.730 106 1HG1 ILE 12 HG12 ILE 12 -2.441 2.113 -4.696 107 2HG1 ILE 12 HG13 ILE 12 -3.466 1.969 -6.116 108 1HG2 ILE 12 HG21 ILE 12 -0.916 0.500 -8.316 109 2HG2 ILE 12 HG22 ILE 12 -2.060 -0.467 -7.386 110 3HG2 ILE 12 HG23 ILE 12 -2.601 1.009 -8.185 111 1HD1 ILE 12 HD11 ILE 12 -4.113 0.381 -4.411 112 2HD1 ILE 12 HD12 ILE 12 -3.496 -0.461 -5.832 113 3HD1 ILE 12 HD13 ILE 12 -2.484 -0.295 -4.396 114 H THR 13 HN THR 13 0.916 -1.512 -6.017 115 HA THR 13 HA THR 13 2.758 -0.323 -7.979 116 HB THR 13 HB THR 13 3.921 -0.865 -5.838 117 HG1 THR 13 HG1 THR 13 5.550 -1.204 -7.125 118 1HG2 THR 13 HG21 THR 13 3.203 -3.714 -6.545 119 2HG2 THR 13 HG22 THR 13 2.621 -2.809 -5.147 120 3HG2 THR 13 HG23 THR 13 4.331 -3.225 -5.277 121 H ASN 14 HN ASN 14 3.504 -1.769 -9.632 122 HA ASN 14 HA ASN 14 1.460 -3.786 -10.267 123 1HB ASN 14 HB2 ASN 14 1.924 -3.314 -12.628 124 2HB ASN 14 HB3 ASN 14 1.490 -1.836 -11.776 125 1HD2 ASN 14 HD21 ASN 14 3.089 -0.281 -11.360 126 2HD2 ASN 14 HD22 ASN 14 4.597 -0.276 -12.227 127 H THR 15 HN THR 15 4.275 -3.834 -8.918 128 HA THR 15 HA THR 15 5.198 -6.213 -10.359 129 HB THR 15 HB THR 15 6.604 -4.359 -11.131 130 HG1 THR 15 HG1 THR 15 7.493 -6.592 -10.276 131 1HG2 THR 15 HG21 THR 15 7.257 -3.957 -8.212 132 2HG2 THR 15 HG22 THR 15 6.370 -2.843 -9.254 133 3HG2 THR 15 HG23 THR 15 8.078 -3.162 -9.558 134 H ARG 16 HN ARG 16 6.155 -7.796 -9.033 135 HA ARG 16 HA ARG 16 5.307 -7.824 -6.341 136 1HB ARG 16 HB2 ARG 16 7.249 -9.598 -7.818 137 2HB ARG 16 HB3 ARG 16 6.787 -9.855 -6.140 138 1HG ARG 16 HG2 ARG 16 4.909 -9.843 -8.485 139 2HG ARG 16 HG3 ARG 16 5.499 -11.271 -7.627 140 1HD ARG 16 HD2 ARG 16 3.963 -9.031 -6.349 141 2HD ARG 16 HD3 ARG 16 3.226 -10.524 -6.925 142 HE ARG 16 HE ARG 16 4.684 -11.674 -5.260 143 1HH1 ARG 16 HH12 ARG 16 3.881 -8.289 -4.845 144 2HH1 ARG 16 HH11 ARG 16 4.031 -8.326 -3.121 145 1HH2 ARG 16 HH22 ARG 16 4.849 -11.738 -2.964 146 2HH2 ARG 16 HH21 ARG 16 4.552 -10.283 -2.053 147 H ASP 17 HN ASP 17 8.642 -7.649 -7.644 148 HA ASP 17 HA ASP 17 9.486 -6.589 -5.077 149 1HB ASP 17 HB2 ASP 17 11.763 -6.798 -6.000 150 2HB ASP 17 HB3 ASP 17 10.900 -8.320 -6.006 151 H VAL 18 HN VAL 18 8.522 -4.619 -5.110 152 HA VAL 18 HA VAL 18 8.801 -2.719 -7.178 153 HB VAL 18 HB VAL 18 7.029 -2.235 -5.761 154 1HG1 VAL 18 HG11 VAL 18 8.862 -2.672 -3.406 155 2HG1 VAL 18 HG12 VAL 18 7.200 -2.089 -3.290 156 3HG1 VAL 18 HG13 VAL 18 7.525 -3.704 -3.922 157 1HG2 VAL 18 HG21 VAL 18 9.336 -0.480 -4.957 158 2HG2 VAL 18 HG22 VAL 18 8.106 -0.177 -6.184 159 3HG2 VAL 18 HG23 VAL 18 7.666 -0.155 -4.475 160 H ASP 19 HN ASP 19 10.426 -1.415 -7.689 161 HA ASP 19 HA ASP 19 12.956 -1.771 -6.444 162 1HB ASP 19 HB2 ASP 19 12.668 -1.375 -8.871 163 2HB ASP 19 HB3 ASP 19 12.134 0.263 -8.523 164 H CYS 20 HN CYS 20 12.525 -1.141 -4.324 165 HA CYS 20 HA CYS 20 11.578 1.256 -3.392 166 1HB CYS 20 HB2 CYS 20 13.708 -0.536 -2.259 167 2HB CYS 20 HB3 CYS 20 12.994 0.814 -1.380 168 H ASP 21 HN ASP 21 14.977 0.501 -4.199 169 HA ASP 21 HA ASP 21 16.091 2.825 -3.130 170 1HB ASP 21 HB2 ASP 21 17.311 0.744 -3.945 171 2HB ASP 21 HB3 ASP 21 17.194 1.427 -5.564 172 H ASN 22 HN ASN 22 14.321 2.410 -6.054 173 HA ASN 22 HA ASN 22 15.161 5.054 -7.006 174 1HB ASN 22 HB2 ASN 22 15.149 3.073 -8.571 175 2HB ASN 22 HB3 ASN 22 13.403 3.035 -8.408 176 1HD2 ASN 22 HD21 ASN 22 15.029 3.425 -10.766 177 2HD2 ASN 22 HD22 ASN 22 14.556 4.955 -11.436 178 H ILE 23 HN ILE 23 12.201 3.193 -6.414 179 HA ILE 23 HA ILE 23 10.489 5.395 -6.873 180 HB ILE 23 HB ILE 23 9.981 2.781 -5.447 181 1HG1 ILE 23 HG12 ILE 23 9.313 3.768 -8.228 182 2HG1 ILE 23 HG13 ILE 23 10.579 2.615 -7.827 183 1HG2 ILE 23 HG21 ILE 23 8.379 4.458 -4.682 184 2HG2 ILE 23 HG22 ILE 23 7.989 4.859 -6.354 185 3HG2 ILE 23 HG23 ILE 23 7.596 3.262 -5.714 186 1HD1 ILE 23 HD11 ILE 23 8.939 1.005 -7.122 187 2HD1 ILE 23 HD12 ILE 23 7.641 2.173 -7.367 188 3HD1 ILE 23 HD13 ILE 23 8.554 1.570 -8.748 189 H LEU 24 HN LEU 24 11.879 4.049 -3.891 190 HA LEU 24 HA LEU 24 10.376 5.839 -2.221 191 1HB LEU 24 HB2 LEU 24 12.290 3.635 -1.821 192 2HB LEU 24 HB3 LEU 24 12.269 4.864 -0.573 193 HG LEU 24 HG LEU 24 9.881 4.472 -0.226 194 1HD1 LEU 24 HD11 LEU 24 9.296 3.747 -2.481 195 2HD1 LEU 24 HD12 LEU 24 10.197 2.252 -2.225 196 3HD1 LEU 24 HD13 LEU 24 8.763 2.595 -1.253 197 1HD2 LEU 24 HD21 LEU 24 11.574 1.995 -0.129 198 2HD2 LEU 24 HD22 LEU 24 11.514 3.266 1.091 199 3HD2 LEU 24 HD23 LEU 24 10.092 2.266 0.790 200 H SER 25 HN SER 25 13.189 6.242 -4.049 201 HA SER 25 HA SER 25 14.455 7.998 -2.110 202 1HB SER 25 HB2 SER 25 16.086 8.420 -4.026 203 2HB SER 25 HB3 SER 25 16.014 6.772 -3.404 204 HG SER 25 HG SER 25 15.662 6.248 -5.395 205 H THR 26 HN THR 26 11.970 8.246 -4.294 206 HA THR 26 HA THR 26 12.369 10.959 -5.122 207 HB THR 26 HB THR 26 10.023 10.876 -5.860 208 HG1 THR 26 HG1 THR 26 9.879 8.174 -5.022 209 1HG2 THR 26 HG21 THR 26 11.580 8.390 -6.576 210 2HG2 THR 26 HG22 THR 26 11.750 9.974 -7.332 211 3HG2 THR 26 HG23 THR 26 10.244 9.072 -7.505 212 H ASN 27 HN ASN 27 10.670 12.631 -4.550 213 HA ASN 27 HA ASN 27 10.724 13.127 -1.758 214 1HB ASN 27 HB2 ASN 27 10.703 14.915 -3.448 215 2HB ASN 27 HB3 ASN 27 9.076 14.449 -3.928 216 1HD2 ASN 27 HD21 ASN 27 11.025 15.986 -1.493 217 2HD2 ASN 27 HD22 ASN 27 9.713 16.745 -0.651 218 H LEU 28 HN LEU 28 8.673 11.240 -3.658 219 HA LEU 28 HA LEU 28 6.204 11.650 -2.296 220 1HB LEU 28 HB2 LEU 28 6.381 10.817 -4.611 221 2HB LEU 28 HB3 LEU 28 7.127 9.346 -4.020 222 HG LEU 28 HG LEU 28 5.024 8.805 -2.810 223 1HD1 LEU 28 HD11 LEU 28 4.164 11.080 -2.550 224 2HD1 LEU 28 HD12 LEU 28 3.930 11.192 -4.295 225 3HD1 LEU 28 HD13 LEU 28 2.989 10.036 -3.352 226 1HD2 LEU 28 HD21 LEU 28 3.753 8.195 -4.812 227 2HD2 LEU 28 HD22 LEU 28 4.751 9.285 -5.774 228 3HD2 LEU 28 HD23 LEU 28 5.476 7.871 -5.011 229 H PHE 29 HN PHE 29 9.048 9.961 -1.476 230 HA PHE 29 HA PHE 29 7.612 8.557 0.665 231 1HB PHE 29 HB2 PHE 29 9.765 7.303 -1.050 232 2HB PHE 29 HB3 PHE 29 9.048 6.573 0.384 233 HD1 PHE 29 HD1 PHE 29 8.692 7.221 -3.142 234 HD2 PHE 29 HD2 PHE 29 6.668 5.885 0.351 235 HE1 PHE 29 HE1 PHE 29 6.946 6.220 -4.545 236 HE2 PHE 29 HE2 PHE 29 4.911 4.880 -1.048 237 HZ PHE 29 HZ PHE 29 5.046 5.048 -3.500 238 H HIS 30 HN HIS 30 10.567 9.885 -0.623 239 HA HIS 30 HA HIS 30 12.557 10.461 0.298 240 1HB HIS 30 HB2 HIS 30 12.320 12.101 2.156 241 2HB HIS 30 HB3 HIS 30 11.309 12.430 0.767 242 HD1 HIS 30 HD1 HIS 30 11.144 11.444 4.382 243 HD2 HIS 30 HD2 HIS 30 8.565 12.335 1.241 244 HE1 HIS 30 HE1 HIS 30 8.872 11.730 5.428 245 HE2 HIS 30 HE2 HIS 30 7.368 12.455 3.532 246 H CYS 31 HN CYS 31 12.406 7.967 0.769 247 HA CYS 31 HA CYS 31 12.789 6.181 2.105 248 1HB CYS 31 HB2 CYS 31 14.939 6.518 3.470 249 2HB CYS 31 HB3 CYS 31 15.005 6.649 1.721 250 H LYS 32 HN LYS 32 10.644 6.962 3.304 251 HA LYS 32 HA LYS 32 11.002 7.313 6.104 252 1HB LYS 32 HB2 LYS 32 8.700 6.887 6.325 253 2HB LYS 32 HB3 LYS 32 8.860 7.702 4.782 254 1HG LYS 32 HG2 LYS 32 8.667 4.713 5.020 255 2HG LYS 32 HG3 LYS 32 7.263 5.758 4.908 256 1HD LYS 32 HD2 LYS 32 7.498 5.241 2.710 257 2HD LYS 32 HD3 LYS 32 8.541 6.660 2.779 258 1HE LYS 32 HE2 LYS 32 9.501 4.698 1.562 259 2HE LYS 32 HE3 LYS 32 10.498 5.314 2.879 260 1HZ LYS 32 HZ1 LYS 32 9.814 3.527 4.270 261 2HZ LYS 32 HZ2 LYS 32 10.305 2.854 2.797 262 3HZ LYS 32 HZ3 LYS 32 8.658 3.000 3.149 263 H ASP 33 HN ASP 33 10.301 5.553 7.670 264 HA ASP 33 HA ASP 33 12.195 3.557 7.726 265 1HB ASP 33 HB2 ASP 33 9.459 3.534 9.019 266 2HB ASP 33 HB3 ASP 33 10.785 2.463 9.454 267 H LYS 34 HN LYS 34 8.737 3.054 7.008 268 HA LYS 34 HA LYS 34 9.444 0.741 5.360 269 1HB LYS 34 HB2 LYS 34 9.151 -0.381 7.353 270 2HB LYS 34 HB3 LYS 34 7.978 0.772 7.960 271 1HG LYS 34 HG2 LYS 34 6.704 -0.402 5.806 272 2HG LYS 34 HG3 LYS 34 7.574 -1.734 6.583 273 1HD LYS 34 HD2 LYS 34 6.652 -0.897 8.771 274 2HD LYS 34 HD3 LYS 34 5.625 0.185 7.835 275 1HE LYS 34 HE2 LYS 34 4.389 -1.812 8.444 276 2HE LYS 34 HE3 LYS 34 4.639 -1.771 6.699 277 1HZ LYS 34 HZ1 LYS 34 6.184 -3.469 6.790 278 2HZ LYS 34 HZ2 LYS 34 5.058 -3.953 7.966 279 3HZ LYS 34 HZ3 LYS 34 6.516 -3.236 8.435 280 H ASN 35 HN ASN 35 7.993 0.285 3.766 281 HA ASN 35 HA ASN 35 5.492 1.818 3.644 282 1HB ASN 35 HB2 ASN 35 7.396 2.988 2.329 283 2HB ASN 35 HB3 ASN 35 7.276 1.632 1.218 284 1HD2 ASN 35 HD21 ASN 35 5.382 1.354 0.024 285 2HD2 ASN 35 HD22 ASN 35 4.272 2.657 -0.240 286 H THR 36 HN THR 36 3.995 0.267 3.473 287 HA THR 36 HA THR 36 4.654 -2.253 2.194 288 HB THR 36 HB THR 36 1.986 -1.488 3.380 289 HG1 THR 36 HG1 THR 36 4.309 -2.562 4.679 290 1HG2 THR 36 HG21 THR 36 3.392 -4.138 2.989 291 2HG2 THR 36 HG22 THR 36 2.004 -3.546 2.073 292 3HG2 THR 36 HG23 THR 36 1.837 -3.921 3.789 293 H PHE 37 HN PHE 37 4.493 -2.381 0.060 294 HA PHE 37 HA PHE 37 2.447 -0.847 -1.356 295 1HB PHE 37 HB2 PHE 37 4.694 -2.589 -2.392 296 2HB PHE 37 HB3 PHE 37 3.554 -1.719 -3.408 297 HD1 PHE 37 HD1 PHE 37 6.468 -1.434 -1.215 298 HD2 PHE 37 HD2 PHE 37 3.687 0.678 -3.654 299 HE1 PHE 37 HE1 PHE 37 7.915 0.546 -1.147 300 HE2 PHE 37 HE2 PHE 37 5.140 2.659 -3.592 301 HZ PHE 37 HZ PHE 37 7.341 2.526 -2.446 302 H ILE 38 HN ILE 38 1.066 -1.865 -2.861 303 HA ILE 38 HA ILE 38 0.398 -4.652 -2.184 304 HB ILE 38 HB ILE 38 -1.484 -2.474 -3.126 305 1HG1 ILE 38 HG12 ILE 38 -1.305 -3.659 -0.352 306 2HG1 ILE 38 HG13 ILE 38 -0.512 -2.154 -0.807 307 1HG2 ILE 38 HG21 ILE 38 -2.029 -5.253 -2.089 308 2HG2 ILE 38 HG22 ILE 38 -3.253 -4.053 -2.508 309 3HG2 ILE 38 HG23 ILE 38 -2.198 -4.711 -3.759 310 1HD1 ILE 38 HD11 ILE 38 -2.634 -1.772 0.338 311 2HD1 ILE 38 HD12 ILE 38 -2.655 -1.150 -1.312 312 3HD1 ILE 38 HD13 ILE 38 -3.474 -2.665 -0.932 313 H TYR 39 HN TYR 39 0.913 -5.957 -3.829 314 HA TYR 39 HA TYR 39 1.096 -4.972 -6.531 315 1HB TYR 39 HB2 TYR 39 2.682 -6.668 -5.935 316 2HB TYR 39 HB3 TYR 39 1.412 -7.736 -5.347 317 HD1 TYR 39 HD1 TYR 39 2.421 -5.984 -8.487 318 HD2 TYR 39 HD2 TYR 39 0.733 -9.471 -6.732 319 HE1 TYR 39 HE1 TYR 39 2.329 -7.044 -10.701 320 HE2 TYR 39 HE2 TYR 39 0.633 -10.539 -8.945 321 HH TYR 39 HH TYR 39 2.178 -9.137 -11.729 322 H SER 40 HN SER 40 -0.903 -4.249 -6.966 323 HA SER 40 HA SER 40 -2.698 -6.012 -8.192 324 1HB SER 40 HB2 SER 40 -3.212 -6.392 -5.674 325 2HB SER 40 HB3 SER 40 -3.874 -4.760 -5.700 326 HG SER 40 HG SER 40 -4.960 -7.078 -6.594 327 H ARG 41 HN ARG 41 -4.463 -4.762 -9.181 328 HA ARG 41 HA ARG 41 -3.595 -2.108 -9.784 329 1HB ARG 41 HB2 ARG 41 -5.933 -3.768 -10.681 330 2HB ARG 41 HB3 ARG 41 -5.808 -2.072 -11.110 331 1HG ARG 41 HG2 ARG 41 -3.715 -4.141 -11.711 332 2HG ARG 41 HG3 ARG 41 -4.934 -3.575 -12.855 333 1HD ARG 41 HD2 ARG 41 -4.053 -1.400 -12.882 334 2HD ARG 41 HD3 ARG 41 -3.095 -1.680 -11.433 335 HE ARG 41 HE ARG 41 -2.216 -3.444 -13.425 336 1HH1 ARG 41 HH12 ARG 41 -2.333 -0.006 -12.785 337 2HH1 ARG 41 HH11 ARG 41 -0.830 0.336 -13.595 338 1HH2 ARG 41 HH22 ARG 41 -0.256 -3.012 -14.513 339 2HH2 ARG 41 HH21 ARG 41 0.346 -1.388 -14.599 340 HA PRO 42 HA PRO 42 -5.773 0.371 -6.930 341 1HB PRO 42 HB2 PRO 42 -6.901 2.233 -8.652 342 2HB PRO 42 HB3 PRO 42 -5.253 2.297 -8.027 343 1HG PRO 42 HG2 PRO 42 -6.255 1.339 -10.663 344 2HG PRO 42 HG3 PRO 42 -4.770 2.220 -10.282 345 1HD PRO 42 HD2 PRO 42 -4.781 -0.423 -10.798 346 2HD PRO 42 HD3 PRO 42 -3.660 0.308 -9.627 347 H GLU 43 HN GLU 43 -7.550 -0.806 -9.745 348 HA GLU 43 HA GLU 43 -10.096 0.013 -8.799 349 1HB GLU 43 HB2 GLU 43 -9.158 -1.778 -10.997 350 2HB GLU 43 HB3 GLU 43 -10.860 -1.734 -10.567 351 1HG GLU 43 HG2 GLU 43 -9.195 0.646 -11.362 352 2HG GLU 43 HG3 GLU 43 -10.328 -0.211 -12.406 353 HA PRO 44 HA PRO 44 -10.656 -4.621 -7.420 354 1HB PRO 44 HB2 PRO 44 -8.288 -5.942 -6.936 355 2HB PRO 44 HB3 PRO 44 -9.265 -6.133 -8.390 356 1HG PRO 44 HG2 PRO 44 -6.827 -4.481 -7.940 357 2HG PRO 44 HG3 PRO 44 -7.293 -5.433 -9.361 358 1HD PRO 44 HD2 PRO 44 -7.557 -2.754 -9.285 359 2HD PRO 44 HD3 PRO 44 -8.704 -3.783 -10.146 360 H VAL 45 HN VAL 45 -8.119 -2.480 -6.367 361 HA VAL 45 HA VAL 45 -8.337 -3.361 -3.597 362 HB VAL 45 HB VAL 45 -6.749 -1.080 -4.800 363 1HG1 VAL 45 HG11 VAL 45 -5.598 -0.977 -2.641 364 2HG1 VAL 45 HG12 VAL 45 -7.317 -0.622 -2.471 365 3HG1 VAL 45 HG13 VAL 45 -6.693 -2.201 -2.000 366 1HG2 VAL 45 HG21 VAL 45 -4.813 -2.528 -4.383 367 2HG2 VAL 45 HG22 VAL 45 -5.897 -3.803 -3.829 368 3HG2 VAL 45 HG23 VAL 45 -5.954 -3.267 -5.507 369 H LYS 46 HN LYS 46 -9.305 -0.651 -5.624 370 HA LYS 46 HA LYS 46 -10.534 0.877 -3.569 371 1HB LYS 46 HB2 LYS 46 -9.864 1.684 -5.867 372 2HB LYS 46 HB3 LYS 46 -11.255 0.822 -6.503 373 1HG LYS 46 HG2 LYS 46 -12.746 2.228 -5.191 374 2HG LYS 46 HG3 LYS 46 -11.354 3.076 -4.507 375 1HD LYS 46 HD2 LYS 46 -10.699 3.779 -6.770 376 2HD LYS 46 HD3 LYS 46 -12.126 2.974 -7.421 377 1HE LYS 46 HE2 LYS 46 -13.535 4.461 -6.027 378 2HE LYS 46 HE3 LYS 46 -12.078 5.308 -5.514 379 1HZ LYS 46 HZ1 LYS 46 -11.679 6.034 -7.732 380 2HZ LYS 46 HZ2 LYS 46 -13.302 6.377 -7.377 381 3HZ LYS 46 HZ3 LYS 46 -12.911 5.045 -8.351 382 H ALA 47 HN ALA 47 -11.491 -1.844 -5.491 383 HA ALA 47 HA ALA 47 -14.278 -1.737 -5.156 384 1HB ALA 47 HB1 ALA 47 -14.280 -4.088 -5.774 385 2HB ALA 47 HB2 ALA 47 -13.163 -3.187 -6.796 386 3HB ALA 47 HB3 ALA 47 -12.544 -4.185 -5.482 387 H ILE 48 HN ILE 48 -11.730 -2.711 -3.024 388 HA ILE 48 HA ILE 48 -13.186 -4.263 -1.187 389 HB ILE 48 HB ILE 48 -10.849 -2.438 -0.558 390 1HG1 ILE 48 HG12 ILE 48 -10.791 -5.355 -1.373 391 2HG1 ILE 48 HG13 ILE 48 -10.467 -4.027 -2.483 392 1HG2 ILE 48 HG21 ILE 48 -11.864 -4.935 0.803 393 2HG2 ILE 48 HG22 ILE 48 -10.424 -4.024 1.257 394 3HG2 ILE 48 HG23 ILE 48 -12.019 -3.286 1.409 395 1HD1 ILE 48 HD11 ILE 48 -8.892 -4.697 -0.013 396 2HD1 ILE 48 HD12 ILE 48 -8.414 -5.018 -1.681 397 3HD1 ILE 48 HD13 ILE 48 -8.566 -3.355 -1.110 398 H CYS 49 HN CYS 49 -12.758 -0.803 -1.588 399 HA CYS 49 HA CYS 49 -14.375 -0.279 0.791 400 1HB CYS 49 HB2 CYS 49 -12.753 1.550 -0.983 401 2HB CYS 49 HB3 CYS 49 -13.656 2.074 0.436 402 H LYS 50 HN LYS 50 -14.929 -0.895 -2.350 403 HA LYS 50 HA LYS 50 -16.613 1.190 -3.206 404 1HB LYS 50 HB2 LYS 50 -15.639 -0.625 -4.652 405 2HB LYS 50 HB3 LYS 50 -16.824 -1.728 -3.966 406 1HG LYS 50 HG2 LYS 50 -18.631 -0.354 -4.868 407 2HG LYS 50 HG3 LYS 50 -17.442 0.758 -5.550 408 1HD LYS 50 HD2 LYS 50 -17.630 -2.173 -6.237 409 2HD LYS 50 HD3 LYS 50 -18.349 -0.879 -7.194 410 1HE LYS 50 HE2 LYS 50 -15.409 -1.055 -6.551 411 2HE LYS 50 HE3 LYS 50 -16.130 -1.711 -8.020 412 1HZ LYS 50 HZ1 LYS 50 -16.912 0.521 -8.571 413 2HZ LYS 50 HZ2 LYS 50 -15.222 0.467 -8.429 414 3HZ LYS 50 HZ3 LYS 50 -16.153 1.143 -7.186 415 H GLY 51 HN GLY 51 -18.478 1.815 -2.421 416 1HA GLY 51 HA1 GLY 51 -20.731 1.451 -1.791 417 2HA GLY 51 HA2 GLY 51 -20.293 -0.160 -1.248 418 H ILE 52 HN ILE 52 -17.909 1.838 -0.148 419 HA ILE 52 HA ILE 52 -19.267 2.065 2.468 420 HB ILE 52 HB ILE 52 -16.285 2.079 2.073 421 1HG1 ILE 52 HG12 ILE 52 -17.142 -0.015 1.121 422 2HG1 ILE 52 HG13 ILE 52 -16.249 -0.302 2.603 423 1HG2 ILE 52 HG21 ILE 52 -18.037 1.464 4.445 424 2HG2 ILE 52 HG22 ILE 52 -16.276 1.376 4.428 425 3HG2 ILE 52 HG23 ILE 52 -17.085 2.926 4.196 426 1HD1 ILE 52 HD11 ILE 52 -19.238 -0.264 2.311 427 2HD1 ILE 52 HD12 ILE 52 -18.217 -1.691 2.494 428 3HD1 ILE 52 HD13 ILE 52 -18.360 -0.533 3.818 429 H ILE 53 HN ILE 53 -20.110 4.142 2.267 430 HA ILE 53 HA ILE 53 -18.484 6.307 1.285 431 HB ILE 53 HB ILE 53 -21.282 6.172 2.391 432 1HG1 ILE 53 HG12 ILE 53 -21.886 6.921 0.127 433 2HG1 ILE 53 HG13 ILE 53 -20.196 6.909 -0.338 434 1HG2 ILE 53 HG21 ILE 53 -21.513 8.558 1.839 435 2HG2 ILE 53 HG22 ILE 53 -20.357 8.277 3.140 436 3HG2 ILE 53 HG23 ILE 53 -19.784 8.634 1.512 437 1HD1 ILE 53 HD11 ILE 53 -21.832 4.516 0.470 438 2HD1 ILE 53 HD12 ILE 53 -21.373 4.963 -1.175 439 3HD1 ILE 53 HD13 ILE 53 -20.132 4.499 -0.012 440 H ALA 54 HN ALA 54 -19.969 5.430 4.393 441 HA ALA 54 HA ALA 54 -18.688 7.595 5.779 442 1HB ALA 54 HB1 ALA 54 -19.629 6.605 7.795 443 2HB ALA 54 HB2 ALA 54 -20.847 6.724 6.526 444 3HB ALA 54 HB3 ALA 54 -20.099 5.168 6.886 445 H SER 55 HN SER 55 -16.833 7.611 6.834 446 HA SER 55 HA SER 55 -14.755 5.986 6.146 447 1HB SER 55 HB2 SER 55 -14.473 7.209 8.773 448 2HB SER 55 HB3 SER 55 -13.607 7.541 7.273 449 HG SER 55 HG SER 55 -14.835 9.205 6.965 450 H LYS 56 HN LYS 56 -14.539 3.890 6.513 451 HA LYS 56 HA LYS 56 -14.774 2.908 9.265 452 1HB LYS 56 HB2 LYS 56 -16.862 2.224 8.325 453 2HB LYS 56 HB3 LYS 56 -16.093 1.700 6.834 454 1HG LYS 56 HG2 LYS 56 -14.949 -0.093 8.099 455 2HG LYS 56 HG3 LYS 56 -15.836 0.406 9.540 456 1HD LYS 56 HD2 LYS 56 -17.913 -0.220 8.591 457 2HD LYS 56 HD3 LYS 56 -17.210 -0.385 6.982 458 1HE LYS 56 HE2 LYS 56 -17.612 -2.569 7.981 459 2HE LYS 56 HE3 LYS 56 -15.887 -2.291 7.752 460 1HZ LYS 56 HZ1 LYS 56 -16.290 -3.274 9.891 461 2HZ LYS 56 HZ2 LYS 56 -17.385 -2.047 10.306 462 3HZ LYS 56 HZ3 LYS 56 -15.741 -1.684 10.116 463 H ASN 57 HN ASN 57 -13.179 1.520 9.841 464 HA ASN 57 HA ASN 57 -11.115 0.870 7.913 465 1HB ASN 57 HB2 ASN 57 -11.421 0.047 10.817 466 2HB ASN 57 HB3 ASN 57 -10.006 -0.262 9.821 467 1HD2 ASN 57 HD21 ASN 57 -10.139 1.159 12.298 468 2HD2 ASN 57 HD22 ASN 57 -9.594 2.775 11.979 469 H VAL 58 HN VAL 58 -11.506 -0.758 6.515 470 HA VAL 58 HA VAL 58 -13.079 -3.033 7.516 471 HB VAL 58 HB VAL 58 -13.837 -3.493 5.335 472 1HG1 VAL 58 HG11 VAL 58 -13.853 -0.504 5.653 473 2HG1 VAL 58 HG12 VAL 58 -14.947 -1.441 4.635 474 3HG1 VAL 58 HG13 VAL 58 -14.988 -1.637 6.387 475 1HG2 VAL 58 HG21 VAL 58 -11.787 -3.223 4.094 476 2HG2 VAL 58 HG22 VAL 58 -13.081 -2.302 3.326 477 3HG2 VAL 58 HG23 VAL 58 -11.862 -1.473 4.299 478 H LEU 59 HN LEU 59 -12.254 -5.023 7.495 479 HA LEU 59 HA LEU 59 -9.491 -5.343 6.636 480 1HB LEU 59 HB2 LEU 59 -10.333 -6.015 8.937 481 2HB LEU 59 HB3 LEU 59 -11.221 -7.286 8.142 482 HG LEU 59 HG LEU 59 -8.911 -7.773 9.250 483 1HD1 LEU 59 HD11 LEU 59 -10.238 -9.413 8.036 484 2HD1 LEU 59 HD12 LEU 59 -9.584 -8.815 6.511 485 3HD1 LEU 59 HD13 LEU 59 -8.517 -9.584 7.689 486 1HD2 LEU 59 HD21 LEU 59 -7.680 -6.034 8.115 487 2HD2 LEU 59 HD22 LEU 59 -7.055 -7.622 7.666 488 3HD2 LEU 59 HD23 LEU 59 -8.093 -6.735 6.549 489 H THR 60 HN THR 60 -8.899 -6.734 5.040 490 HA THR 60 HA THR 60 -10.842 -7.201 3.016 491 HB THR 60 HB THR 60 -8.713 -8.480 2.036 492 HG1 THR 60 HG1 THR 60 -7.525 -6.604 3.807 493 1HG2 THR 60 HG21 THR 60 -9.687 -6.442 1.106 494 2HG2 THR 60 HG22 THR 60 -7.928 -6.325 1.168 495 3HG2 THR 60 HG23 THR 60 -8.910 -5.487 2.369 496 H THR 61 HN THR 61 -11.498 -9.127 2.091 497 HA THR 61 HA THR 61 -11.871 -11.266 3.988 498 HB THR 61 HB THR 61 -13.247 -12.191 2.040 499 HG1 THR 61 HG1 THR 61 -13.807 -10.401 0.536 500 1HG2 THR 61 HG21 THR 61 -13.914 -9.488 3.219 501 2HG2 THR 61 HG22 THR 61 -14.262 -11.058 3.945 502 3HG2 THR 61 HG23 THR 61 -15.077 -10.578 2.457 503 H SER 62 HN SER 62 -9.693 -10.538 1.560 504 HA SER 62 HA SER 62 -8.720 -13.291 1.448 505 1HB SER 62 HB2 SER 62 -8.229 -12.866 -1.027 506 2HB SER 62 HB3 SER 62 -9.919 -13.137 -0.599 507 HG SER 62 HG SER 62 -10.378 -11.183 -1.240 508 H GLU 63 HN GLU 63 -6.440 -13.435 0.835 509 HA GLU 63 HA GLU 63 -4.962 -11.148 1.833 510 1HB GLU 63 HB2 GLU 63 -3.694 -13.683 0.802 511 2HB GLU 63 HB3 GLU 63 -3.061 -12.536 1.966 512 1HG GLU 63 HG2 GLU 63 -3.638 -14.447 3.191 513 2HG GLU 63 HG3 GLU 63 -4.899 -13.261 3.521 514 H PHE 64 HN PHE 64 -3.549 -9.920 0.670 515 HA PHE 64 HA PHE 64 -3.666 -10.281 -2.246 516 1HB PHE 64 HB2 PHE 64 -3.374 -7.808 -0.560 517 2HB PHE 64 HB3 PHE 64 -2.978 -7.817 -2.271 518 HD1 PHE 64 HD1 PHE 64 -4.628 -7.220 -3.779 519 HD2 PHE 64 HD2 PHE 64 -5.756 -8.753 0.028 520 HE1 PHE 64 HE1 PHE 64 -6.990 -6.815 -4.318 521 HE2 PHE 64 HE2 PHE 64 -8.122 -8.348 -0.507 522 HZ PHE 64 HZ PHE 64 -8.723 -7.312 -2.700 523 H TYR 65 HN TYR 65 -1.718 -9.420 -3.387 524 HA TYR 65 HA TYR 65 0.613 -10.661 -2.196 525 1HB TYR 65 HB2 TYR 65 0.456 -9.274 -4.879 526 2HB TYR 65 HB3 TYR 65 1.609 -10.502 -4.364 527 HD1 TYR 65 HD1 TYR 65 -1.406 -9.900 -6.102 528 HD2 TYR 65 HD2 TYR 65 0.592 -12.825 -3.749 529 HE1 TYR 65 HE1 TYR 65 -2.884 -11.636 -7.019 530 HE2 TYR 65 HE2 TYR 65 -0.874 -14.571 -4.661 531 HH TYR 65 HH TYR 65 -3.194 -14.682 -5.670 532 H LEU 66 HN LEU 66 1.525 -9.394 -0.668 533 HA LEU 66 HA LEU 66 1.643 -6.512 -1.153 534 1HB LEU 66 HB2 LEU 66 2.147 -8.059 1.384 535 2HB LEU 66 HB3 LEU 66 2.090 -6.313 1.236 536 HG LEU 66 HG LEU 66 -0.227 -8.190 0.780 537 1HD1 LEU 66 HD11 LEU 66 -1.128 -7.184 2.824 538 2HD1 LEU 66 HD12 LEU 66 0.388 -8.032 3.122 539 3HD1 LEU 66 HD13 LEU 66 0.365 -6.271 3.024 540 1HD2 LEU 66 HD21 LEU 66 -1.570 -6.141 0.650 541 2HD2 LEU 66 HD22 LEU 66 -0.098 -5.176 0.739 542 3HD2 LEU 66 HD23 LEU 66 -0.379 -6.228 -0.648 543 H SER 67 HN SER 67 3.529 -5.340 -0.926 544 HA SER 67 HA SER 67 6.015 -6.885 -0.625 545 1HB SER 67 HB2 SER 67 5.668 -4.440 -2.376 546 2HB SER 67 HB3 SER 67 7.061 -5.522 -2.301 547 HG SER 67 HG SER 67 6.067 -6.406 -3.950 548 H ASP 68 HN ASP 68 6.775 -6.322 1.308 549 HA ASP 68 HA ASP 68 6.091 -3.678 2.368 550 1HB ASP 68 HB2 ASP 68 5.573 -5.777 3.678 551 2HB ASP 68 HB3 ASP 68 7.311 -6.006 3.863 552 H CYS 69 HN CYS 69 7.536 -2.182 1.900 553 HA CYS 69 HA CYS 69 10.324 -2.941 1.556 554 1HB CYS 69 HB2 CYS 69 9.155 -1.471 -0.091 555 2HB CYS 69 HB3 CYS 69 9.043 -0.238 1.157 556 H ASN 70 HN ASN 70 11.769 -2.724 3.100 557 HA ASN 70 HA ASN 70 11.209 -0.849 5.302 558 1HB ASN 70 HB2 ASN 70 12.316 -3.658 5.465 559 2HB ASN 70 HB3 ASN 70 12.363 -2.512 6.801 560 1HD2 ASN 70 HD21 ASN 70 10.330 -4.493 4.794 561 2HD2 ASN 70 HD22 ASN 70 8.916 -4.420 5.799 562 H VAL 71 HN VAL 71 12.939 0.162 6.237 563 HA VAL 71 HA VAL 71 15.273 0.490 4.606 564 HB VAL 71 HB VAL 71 14.186 2.314 5.950 565 1HG1 VAL 71 HG11 VAL 71 14.767 2.530 8.319 566 2HG1 VAL 71 HG12 VAL 71 13.767 1.111 8.006 567 3HG1 VAL 71 HG13 VAL 71 15.500 0.925 8.278 568 1HG2 VAL 71 HG21 VAL 71 17.122 1.848 6.466 569 2HG2 VAL 71 HG22 VAL 71 16.420 2.589 5.026 570 3HG2 VAL 71 HG23 VAL 71 16.284 3.397 6.589 571 H THR 72 HN THR 72 17.331 -0.117 5.029 572 HA THR 72 HA THR 72 17.570 -2.566 6.561 573 HB THR 72 HB THR 72 19.825 -2.677 5.490 574 HG1 THR 72 HG1 THR 72 18.969 -0.400 4.002 575 1HG2 THR 72 HG21 THR 72 17.908 -3.730 4.410 576 2HG2 THR 72 HG22 THR 72 19.007 -3.053 3.206 577 3HG2 THR 72 HG23 THR 72 17.510 -2.209 3.608 578 H SER 73 HN SER 73 20.534 -1.927 6.683 579 HA SER 73 HA SER 73 20.507 -0.825 9.356 580 1HB SER 73 HB2 SER 73 22.868 -1.781 7.768 581 2HB SER 73 HB3 SER 73 22.782 -1.566 9.511 582 HG SER 73 HG SER 73 20.924 -3.184 9.238 583 H ARG 74 HN ARG 74 20.990 0.201 6.171 584 HA ARG 74 HA ARG 74 22.354 2.631 7.088 585 1HB ARG 74 HB2 ARG 74 22.310 1.261 4.414 586 2HB ARG 74 HB3 ARG 74 22.761 2.953 4.563 587 1HG ARG 74 HG2 ARG 74 24.586 2.369 6.044 588 2HG ARG 74 HG3 ARG 74 24.113 0.672 5.986 589 1HD ARG 74 HD2 ARG 74 24.625 0.561 3.633 590 2HD ARG 74 HD3 ARG 74 24.941 2.296 3.585 591 HE ARG 74 HE ARG 74 26.613 1.024 5.493 592 1HH1 ARG 74 HH12 ARG 74 26.200 1.359 2.020 593 2HH1 ARG 74 HH11 ARG 74 27.906 1.245 1.683 594 1HH2 ARG 74 HH22 ARG 74 28.846 0.838 5.045 595 2HH2 ARG 74 HH21 ARG 74 29.404 0.931 3.399 596 HA PRO 75 HA PRO 75 18.522 4.808 6.733 597 1HB PRO 75 HB2 PRO 75 20.363 7.082 6.192 598 2HB PRO 75 HB3 PRO 75 19.067 6.943 7.385 599 1HG PRO 75 HG2 PRO 75 21.624 6.778 8.120 600 2HG PRO 75 HG3 PRO 75 20.385 5.760 8.875 601 1HD PRO 75 HD2 PRO 75 22.450 5.039 6.843 602 2HD PRO 75 HD3 PRO 75 21.799 4.079 8.184 603 H CYS 76 HN CYS 76 17.225 5.075 5.071 604 HA CYS 76 HA CYS 76 16.386 5.468 3.020 605 1HB CYS 76 HB2 CYS 76 18.963 6.960 2.509 606 2HB CYS 76 HB3 CYS 76 17.513 7.048 1.515 607 H LYS 77 HN LYS 77 18.552 3.273 3.604 608 HA LYS 77 HA LYS 77 18.612 2.381 0.797 609 1HB LYS 77 HB2 LYS 77 20.299 1.412 3.117 610 2HB LYS 77 HB3 LYS 77 20.377 0.797 1.472 611 1HG LYS 77 HG2 LYS 77 21.073 3.582 2.377 612 2HG LYS 77 HG3 LYS 77 22.198 2.326 1.861 613 1HD LYS 77 HD2 LYS 77 20.049 3.522 0.113 614 2HD LYS 77 HD3 LYS 77 21.735 4.040 0.114 615 1HE LYS 77 HE2 LYS 77 22.406 1.750 -0.509 616 2HE LYS 77 HE3 LYS 77 20.706 1.289 -0.571 617 1HZ LYS 77 HZ1 LYS 77 20.338 2.745 -2.391 618 2HZ LYS 77 HZ2 LYS 77 21.726 1.841 -2.758 619 3HZ LYS 77 HZ3 LYS 77 21.875 3.451 -2.239 620 H TYR 78 HN TYR 78 17.391 0.633 0.267 621 HA TYR 78 HA TYR 78 15.617 -0.225 2.468 622 1HB TYR 78 HB2 TYR 78 14.743 -0.161 -0.394 623 2HB TYR 78 HB3 TYR 78 13.782 0.013 1.073 624 HD1 TYR 78 HD1 TYR 78 13.809 2.193 2.304 625 HD2 TYR 78 HD2 TYR 78 15.696 1.711 -1.477 626 HE1 TYR 78 HE1 TYR 78 13.852 4.635 2.014 627 HE2 TYR 78 HE2 TYR 78 15.743 4.148 -1.777 628 HH TYR 78 HH TYR 78 14.602 6.110 -0.987 629 H LYS 79 HN LYS 79 14.630 -2.246 2.354 630 HA LYS 79 HA LYS 79 15.666 -4.151 0.369 631 1HB LYS 79 HB2 LYS 79 16.283 -4.195 3.103 632 2HB LYS 79 HB3 LYS 79 15.026 -5.405 2.911 633 1HG LYS 79 HG2 LYS 79 17.192 -6.439 2.699 634 2HG LYS 79 HG3 LYS 79 16.364 -6.480 1.140 635 1HD LYS 79 HD2 LYS 79 17.665 -4.626 0.337 636 2HD LYS 79 HD3 LYS 79 18.390 -4.387 1.925 637 1HE LYS 79 HE2 LYS 79 19.964 -5.506 0.478 638 2HE LYS 79 HE3 LYS 79 19.438 -6.617 1.742 639 1HZ LYS 79 HZ1 LYS 79 19.536 -7.586 -0.537 640 2HZ LYS 79 HZ2 LYS 79 18.258 -6.565 -0.982 641 3HZ LYS 79 HZ3 LYS 79 18.027 -7.741 0.222 642 H LEU 80 HN LEU 80 14.136 -5.743 -0.259 643 HA LEU 80 HA LEU 80 11.392 -4.815 0.177 644 1HB LEU 80 HB2 LEU 80 12.466 -4.937 -2.128 645 2HB LEU 80 HB3 LEU 80 12.383 -6.676 -1.973 646 HG LEU 80 HG LEU 80 10.551 -5.422 -3.297 647 1HD1 LEU 80 HD11 LEU 80 9.856 -7.493 -1.235 648 2HD1 LEU 80 HD12 LEU 80 8.858 -7.060 -2.625 649 3HD1 LEU 80 HD13 LEU 80 10.446 -7.786 -2.871 650 1HD2 LEU 80 HD21 LEU 80 8.629 -4.746 -1.966 651 2HD2 LEU 80 HD22 LEU 80 9.555 -5.024 -0.489 652 3HD2 LEU 80 HD23 LEU 80 10.045 -3.756 -1.611 653 H LYS 81 HN LYS 81 9.710 -6.242 0.648 654 HA LYS 81 HA LYS 81 10.486 -8.926 1.580 655 1HB LYS 81 HB2 LYS 81 10.374 -7.428 3.521 656 2HB LYS 81 HB3 LYS 81 8.750 -6.942 3.067 657 1HG LYS 81 HG2 LYS 81 7.909 -9.153 3.516 658 2HG LYS 81 HG3 LYS 81 9.541 -9.743 3.838 659 1HD LYS 81 HD2 LYS 81 9.722 -8.238 5.749 660 2HD LYS 81 HD3 LYS 81 8.113 -7.599 5.412 661 1HE LYS 81 HE2 LYS 81 8.668 -10.497 6.024 662 2HE LYS 81 HE3 LYS 81 8.229 -9.311 7.249 663 1HZ LYS 81 HZ1 LYS 81 6.144 -8.930 6.104 664 2HZ LYS 81 HZ2 LYS 81 6.311 -10.573 6.483 665 3HZ LYS 81 HZ3 LYS 81 6.567 -10.044 4.894 666 H LYS 82 HN LYS 82 9.428 -10.252 0.248 667 HA LYS 82 HA LYS 82 6.828 -9.573 -0.809 668 1HB LYS 82 HB2 LYS 82 8.523 -12.053 -1.134 669 2HB LYS 82 HB3 LYS 82 7.041 -11.720 -2.017 670 1HG LYS 82 HG2 LYS 82 8.077 -9.791 -3.071 671 2HG LYS 82 HG3 LYS 82 9.557 -10.071 -2.150 672 1HD LYS 82 HD2 LYS 82 9.891 -12.191 -3.243 673 2HD LYS 82 HD3 LYS 82 8.344 -12.042 -4.069 674 1HE LYS 82 HE2 LYS 82 9.182 -10.052 -5.248 675 2HE LYS 82 HE3 LYS 82 10.739 -10.247 -4.442 676 1HZ LYS 82 HZ1 LYS 82 9.492 -12.255 -6.245 677 2HZ LYS 82 HZ2 LYS 82 11.030 -12.364 -5.532 678 3HZ LYS 82 HZ3 LYS 82 10.718 -11.176 -6.701 679 H SER 83 HN SER 83 5.018 -9.979 0.295 680 HA SER 83 HA SER 83 4.748 -12.522 1.699 681 1HB SER 83 HB2 SER 83 4.133 -9.873 3.036 682 2HB SER 83 HB3 SER 83 3.925 -11.476 3.741 683 HG SER 83 HG SER 83 6.383 -11.508 3.053 684 H THR 84 HN THR 84 2.674 -13.327 1.657 685 HA THR 84 HA THR 84 0.639 -11.664 0.326 686 HB THR 84 HB THR 84 0.344 -14.612 0.843 687 HG1 THR 84 HG1 THR 84 2.357 -14.370 -0.214 688 1HG2 THR 84 HG21 THR 84 -0.630 -12.794 -1.364 689 2HG2 THR 84 HG22 THR 84 -1.590 -13.368 0.001 690 3HG2 THR 84 HG23 THR 84 -0.998 -14.511 -1.207 691 H ASN 85 HN ASN 85 -0.722 -10.680 1.693 692 HA ASN 85 HA ASN 85 -1.876 -12.126 3.919 693 1HB ASN 85 HB2 ASN 85 0.359 -10.849 4.607 694 2HB ASN 85 HB3 ASN 85 -0.743 -9.490 4.631 695 1HD2 ASN 85 HD21 ASN 85 0.676 -10.684 6.831 696 2HD2 ASN 85 HD22 ASN 85 -0.520 -11.198 7.968 697 H LYS 86 HN LYS 86 -3.740 -11.037 4.808 698 HA LYS 86 HA LYS 86 -5.098 -9.276 3.021 699 1HB LYS 86 HB2 LYS 86 -5.722 -9.870 5.918 700 2HB LYS 86 HB3 LYS 86 -6.824 -9.219 4.718 701 1HG LYS 86 HG2 LYS 86 -6.726 -11.337 3.488 702 2HG LYS 86 HG3 LYS 86 -5.649 -11.994 4.723 703 1HD LYS 86 HD2 LYS 86 -7.350 -11.717 6.401 704 2HD LYS 86 HD3 LYS 86 -8.396 -10.914 5.252 705 1HE LYS 86 HE2 LYS 86 -9.186 -13.137 5.498 706 2HE LYS 86 HE3 LYS 86 -8.401 -13.024 3.927 707 1HZ LYS 86 HZ1 LYS 86 -6.646 -14.304 4.602 708 2HZ LYS 86 HZ2 LYS 86 -7.914 -15.025 5.463 709 3HZ LYS 86 HZ3 LYS 86 -6.860 -13.954 6.247 710 H PHE 87 HN PHE 87 -6.008 -7.173 3.985 711 HA PHE 87 HA PHE 87 -4.358 -5.923 5.988 712 1HB PHE 87 HB2 PHE 87 -3.846 -3.937 4.548 713 2HB PHE 87 HB3 PHE 87 -2.976 -5.403 4.120 714 HD1 PHE 87 HD1 PHE 87 -3.073 -6.257 1.957 715 HD2 PHE 87 HD2 PHE 87 -5.871 -3.286 3.155 716 HE1 PHE 87 HE1 PHE 87 -3.809 -6.009 -0.375 717 HE2 PHE 87 HE2 PHE 87 -6.613 -3.043 0.824 718 HZ PHE 87 HZ PHE 87 -5.579 -4.407 -0.947 719 H CYS 88 HN CYS 88 -5.261 -4.096 6.906 720 HA CYS 88 HA CYS 88 -8.133 -3.791 6.406 721 1HB CYS 88 HB2 CYS 88 -7.316 -4.212 8.716 722 2HB CYS 88 HB3 CYS 88 -6.395 -2.715 8.644 723 H VAL 89 HN VAL 89 -8.879 -2.039 5.340 724 HA VAL 89 HA VAL 89 -7.072 0.278 5.076 725 HB VAL 89 HB VAL 89 -8.338 0.738 2.896 726 1HG1 VAL 89 HG11 VAL 89 -6.526 -1.669 3.058 727 2HG1 VAL 89 HG12 VAL 89 -6.859 -0.725 1.606 728 3HG1 VAL 89 HG13 VAL 89 -6.013 0.016 2.964 729 1HG2 VAL 89 HG21 VAL 89 -9.269 -1.232 1.751 730 2HG2 VAL 89 HG22 VAL 89 -9.029 -2.186 3.216 731 3HG2 VAL 89 HG23 VAL 89 -10.171 -0.845 3.217 732 H THR 90 HN THR 90 -7.909 2.290 5.392 733 HA THR 90 HA THR 90 -10.504 2.445 6.654 734 HB THR 90 HB THR 90 -8.618 4.703 5.945 735 HG1 THR 90 HG1 THR 90 -8.852 3.192 8.359 736 1HG2 THR 90 HG21 THR 90 -9.793 5.926 7.712 737 2HG2 THR 90 HG22 THR 90 -10.854 4.541 7.966 738 3HG2 THR 90 HG23 THR 90 -10.907 5.422 6.440 739 H CYS 91 HN CYS 91 -12.213 2.381 5.337 740 HA CYS 91 HA CYS 91 -12.019 3.506 2.648 741 1HB CYS 91 HB2 CYS 91 -14.209 1.867 3.929 742 2HB CYS 91 HB3 CYS 91 -14.072 2.269 2.219 743 H GLU 92 HN GLU 92 -12.798 5.423 2.167 744 HA GLU 92 HA GLU 92 -15.249 6.342 3.456 745 1HB GLU 92 HB2 GLU 92 -13.191 7.356 4.604 746 2HB GLU 92 HB3 GLU 92 -12.930 8.221 3.101 747 1HG GLU 92 HG2 GLU 92 -15.220 9.175 3.338 748 2HG GLU 92 HG3 GLU 92 -15.300 8.435 4.930 749 H ASN 93 HN ASN 93 -16.605 7.294 2.029 750 HA ASN 93 HA ASN 93 -17.525 7.793 0.011 751 1HB ASN 93 HB2 ASN 93 -14.777 8.954 -0.533 752 2HB ASN 93 HB3 ASN 93 -16.195 9.218 -1.542 753 1HD2 ASN 93 HD21 ASN 93 -14.532 10.074 1.312 754 2HD2 ASN 93 HD22 ASN 93 -15.608 11.328 1.834 755 H GLN 94 HN GLN 94 -16.362 5.236 0.392 756 HA GLN 94 HA GLN 94 -16.157 3.301 -0.741 757 1HB GLN 94 HB2 GLN 94 -16.669 4.877 -3.262 758 2HB GLN 94 HB3 GLN 94 -16.840 3.142 -3.042 759 1HG GLN 94 HG2 GLN 94 -18.621 3.636 -1.345 760 2HG GLN 94 HG3 GLN 94 -18.536 5.321 -1.858 761 1HE2 GLN 94 HE21 GLN 94 -17.903 4.375 -4.615 762 2HE2 GLN 94 HE22 GLN 94 -19.426 3.910 -5.292 763 H ALA 95 HN ALA 95 -13.879 5.256 -0.422 764 HA ALA 95 HA ALA 95 -12.067 3.827 -2.234 765 1HB ALA 95 HB1 ALA 95 -10.817 5.871 -2.695 766 2HB ALA 95 HB2 ALA 95 -12.491 6.019 -3.231 767 3HB ALA 95 HB3 ALA 95 -11.970 6.801 -1.737 768 HA PRO 96 HA PRO 96 -9.621 3.302 1.497 769 1HB PRO 96 HB2 PRO 96 -7.419 2.835 -0.389 770 2HB PRO 96 HB3 PRO 96 -8.082 1.760 0.844 771 1HG PRO 96 HG2 PRO 96 -8.454 1.375 -1.812 772 2HG PRO 96 HG3 PRO 96 -9.620 0.863 -0.591 773 1HD PRO 96 HD2 PRO 96 -9.723 3.168 -2.454 774 2HD PRO 96 HD3 PRO 96 -11.045 2.196 -1.790 775 H VAL 97 HN VAL 97 -9.235 5.258 2.409 776 HA VAL 97 HA VAL 97 -7.490 7.132 0.959 777 HB VAL 97 HB VAL 97 -8.415 8.878 2.494 778 1HG1 VAL 97 HG11 VAL 97 -10.591 9.037 1.361 779 2HG1 VAL 97 HG12 VAL 97 -9.297 8.607 0.241 780 3HG1 VAL 97 HG13 VAL 97 -10.417 7.369 0.810 781 1HG2 VAL 97 HG21 VAL 97 -10.371 6.712 3.245 782 2HG2 VAL 97 HG22 VAL 97 -9.091 7.330 4.288 783 3HG2 VAL 97 HG23 VAL 97 -10.405 8.392 3.778 784 H HIS 98 HN HIS 98 -7.696 5.153 3.724 785 HA HIS 98 HA HIS 98 -5.091 6.139 4.621 786 1HB HIS 98 HB2 HIS 98 -7.508 5.728 6.390 787 2HB HIS 98 HB3 HIS 98 -5.871 5.795 7.014 788 HD1 HIS 98 HD1 HIS 98 -4.696 8.107 7.033 789 HD2 HIS 98 HD2 HIS 98 -8.624 8.190 5.678 790 HE1 HIS 98 HE1 HIS 98 -5.368 10.524 7.044 791 HE2 HIS 98 HE2 HIS 98 -7.798 10.536 6.385 792 H PHE 99 HN PHE 99 -3.792 4.532 5.587 793 HA PHE 99 HA PHE 99 -4.778 1.803 5.096 794 1HB PHE 99 HB2 PHE 99 -2.802 2.551 3.758 795 2HB PHE 99 HB3 PHE 99 -1.906 2.739 5.263 796 HD1 PHE 99 HD1 PHE 99 -0.662 0.978 6.063 797 HD2 PHE 99 HD2 PHE 99 -3.837 0.195 3.341 798 HE1 PHE 99 HE1 PHE 99 0.006 -1.388 5.974 799 HE2 PHE 99 HE2 PHE 99 -3.181 -2.175 3.250 800 HZ PHE 99 HZ PHE 99 -1.258 -2.966 4.521 801 H VAL 100 HN VAL 100 -5.208 0.623 6.814 802 HA VAL 100 HA VAL 100 -4.527 1.573 9.446 803 HB VAL 100 HB VAL 100 -6.007 -0.915 8.574 804 1HG1 VAL 100 HG11 VAL 100 -5.104 -1.244 10.779 805 2HG1 VAL 100 HG12 VAL 100 -5.709 0.329 11.304 806 3HG1 VAL 100 HG13 VAL 100 -6.840 -0.962 10.900 807 1HG2 VAL 100 HG21 VAL 100 -8.023 0.335 9.208 808 2HG2 VAL 100 HG22 VAL 100 -7.030 1.752 9.551 809 3HG2 VAL 100 HG23 VAL 100 -7.145 1.132 7.904 810 H GLY 101 HN GLY 101 -4.165 -1.640 7.945 811 1HA GLY 101 HA1 GLY 101 -1.404 -1.864 8.151 812 2HA GLY 101 HA2 GLY 101 -2.065 -2.471 9.665 813 H VAL 102 HN VAL 102 -0.682 -4.216 8.104 814 HA VAL 102 HA VAL 102 -2.630 -5.629 6.472 815 HB VAL 102 HB VAL 102 -0.952 -6.797 5.510 816 1HG1 VAL 102 HG11 VAL 102 -0.432 -4.480 5.124 817 2HG1 VAL 102 HG12 VAL 102 0.547 -4.431 6.592 818 3HG1 VAL 102 HG13 VAL 102 1.056 -5.425 5.226 819 1HG2 VAL 102 HG21 VAL 102 0.743 -6.598 7.989 820 2HG2 VAL 102 HG22 VAL 102 -0.243 -7.984 7.522 821 3HG2 VAL 102 HG23 VAL 102 1.132 -7.508 6.528 822 H GLY 103 HN GLY 103 -3.157 -7.848 6.820 823 1HA GLY 103 HA1 GLY 103 -3.287 -9.776 8.197 824 2HA GLY 103 HA2 GLY 103 -2.727 -8.816 9.557 825 H SER 104 HN SER 104 -4.301 -6.924 10.083 826 HA SER 104 HA SER 104 -7.085 -7.458 9.636 827 1HB SER 104 HB2 SER 104 -6.411 -9.219 11.318 828 2HB SER 104 HB3 SER 104 -6.026 -7.911 12.432 829 HG SER 104 HG SER 104 -8.045 -7.849 12.927 830 H CYS 105 HN CYS 105 -8.377 -6.104 11.333 831 HA CYS 105 HA CYS 105 -7.252 -3.411 11.282 832 1HB CYS 105 HB2 CYS 105 -10.016 -4.375 12.060 833 2HB CYS 105 HB3 CYS 105 -9.531 -2.692 11.886 Start of MODEL 6 1 1H MET 1 H1 MET 1 -1.113 16.699 1.030 2 2H MET 1 H2 MET 1 -0.395 15.172 0.905 3 3H MET 1 H3 MET 1 -1.343 15.548 2.253 4 HA MET 1 HA MET 1 -3.285 15.770 0.846 5 1HB MET 1 HB2 MET 1 -3.161 14.902 -1.473 6 2HB MET 1 HB3 MET 1 -2.223 16.369 -1.236 7 1HG MET 1 HG2 MET 1 -0.178 15.034 -1.096 8 2HG MET 1 HG3 MET 1 -1.122 13.569 -1.353 9 1HE MET 1 HE1 MET 1 0.170 16.928 -2.960 10 2HE MET 1 HE2 MET 1 -0.688 16.918 -4.500 11 3HE MET 1 HE3 MET 1 -1.586 17.091 -2.991 12 H GLN 2 HN GLN 2 -4.230 14.302 2.063 13 HA GLN 2 HA GLN 2 -3.373 11.496 1.815 14 1HB GLN 2 HB2 GLN 2 -4.929 12.942 3.959 15 2HB GLN 2 HB3 GLN 2 -4.885 11.191 3.858 16 1HG GLN 2 HG2 GLN 2 -3.296 11.849 5.480 17 2HG GLN 2 HG3 GLN 2 -2.399 11.319 4.060 18 1HE2 GLN 2 HE21 GLN 2 -3.383 14.046 5.978 19 2HE2 GLN 2 HE22 GLN 2 -2.216 15.164 5.359 20 H ASP 3 HN ASP 3 -4.431 10.806 0.015 21 HA ASP 3 HA ASP 3 -7.293 10.503 0.179 22 1HB ASP 3 HB2 ASP 3 -7.924 11.778 -1.674 23 2HB ASP 3 HB3 ASP 3 -6.747 12.816 -0.877 24 H TRP 4 HN TRP 4 -7.997 9.583 -2.158 25 HA TRP 4 HA TRP 4 -6.829 7.039 -2.265 26 1HB TRP 4 HB2 TRP 4 -9.112 7.240 -2.871 27 2HB TRP 4 HB3 TRP 4 -8.762 8.474 -4.077 28 HD1 TRP 4 HD1 TRP 4 -8.789 7.609 -6.466 29 HE1 TRP 4 HE1 TRP 4 -8.415 5.345 -7.628 30 HE3 TRP 4 HE3 TRP 4 -7.622 4.786 -2.364 31 HZ2 TRP 4 HZ2 TRP 4 -7.705 2.711 -6.894 32 HZ3 TRP 4 HZ3 TRP 4 -7.118 2.397 -2.680 33 HH2 TRP 4 HH2 TRP 4 -7.152 1.389 -4.900 34 H LEU 5 HN LEU 5 -6.409 9.871 -4.381 35 HA LEU 5 HA LEU 5 -4.989 8.517 -6.406 36 1HB LEU 5 HB2 LEU 5 -5.125 11.410 -5.590 37 2HB LEU 5 HB3 LEU 5 -4.104 10.874 -6.908 38 HG LEU 5 HG LEU 5 -6.162 11.742 -7.796 39 1HD1 LEU 5 HD11 LEU 5 -6.124 8.738 -7.978 40 2HD1 LEU 5 HD12 LEU 5 -6.932 9.833 -9.100 41 3HD1 LEU 5 HD13 LEU 5 -5.173 9.850 -8.962 42 1HD2 LEU 5 HD21 LEU 5 -7.570 9.711 -6.077 43 2HD2 LEU 5 HD22 LEU 5 -7.618 11.464 -5.885 44 3HD2 LEU 5 HD23 LEU 5 -8.334 10.712 -7.313 45 H THR 6 HN THR 6 -3.989 10.061 -3.429 46 HA THR 6 HA THR 6 -1.180 9.698 -3.931 47 HB THR 6 HB THR 6 -2.539 10.266 -1.290 48 HG1 THR 6 HG1 THR 6 -3.176 11.943 -2.555 49 1HG2 THR 6 HG21 THR 6 -0.387 11.314 -0.734 50 2HG2 THR 6 HG22 THR 6 0.249 10.830 -2.307 51 3HG2 THR 6 HG23 THR 6 -0.196 9.601 -1.120 52 H PHE 7 HN PHE 7 -3.770 7.938 -2.425 53 HA PHE 7 HA PHE 7 -2.289 6.146 -0.855 54 1HB PHE 7 HB2 PHE 7 -4.741 6.472 -0.658 55 2HB PHE 7 HB3 PHE 7 -4.959 5.686 -2.214 56 HD1 PHE 7 HD1 PHE 7 -4.361 5.225 1.324 57 HD2 PHE 7 HD2 PHE 7 -4.516 3.271 -2.459 58 HE1 PHE 7 HE1 PHE 7 -4.516 3.050 2.461 59 HE2 PHE 7 HE2 PHE 7 -4.671 1.092 -1.322 60 HZ PHE 7 HZ PHE 7 -4.671 0.977 1.136 61 H GLN 8 HN GLN 8 -3.479 5.901 -4.198 62 HA GLN 8 HA GLN 8 -2.512 3.360 -4.822 63 1HB GLN 8 HB2 GLN 8 -2.641 5.787 -6.597 64 2HB GLN 8 HB3 GLN 8 -2.589 4.122 -7.115 65 1HG GLN 8 HG2 GLN 8 -4.759 3.694 -6.214 66 2HG GLN 8 HG3 GLN 8 -4.816 5.310 -5.505 67 1HE2 GLN 8 HE21 GLN 8 -5.134 7.085 -6.839 68 2HE2 GLN 8 HE22 GLN 8 -5.713 6.933 -8.460 69 H LYS 9 HN LYS 9 -0.995 6.546 -5.284 70 HA LYS 9 HA LYS 9 1.402 5.764 -6.411 71 1HB LYS 9 HB2 LYS 9 0.667 8.042 -4.590 72 2HB LYS 9 HB3 LYS 9 2.288 7.870 -5.235 73 1HG LYS 9 HG2 LYS 9 1.559 8.200 -7.451 74 2HG LYS 9 HG3 LYS 9 -0.136 7.979 -7.001 75 1HD LYS 9 HD2 LYS 9 -0.276 10.053 -5.994 76 2HD LYS 9 HD3 LYS 9 1.468 10.173 -5.754 77 1HE LYS 9 HE2 LYS 9 0.653 11.708 -7.495 78 2HE LYS 9 HE3 LYS 9 1.804 10.531 -8.122 79 1HZ LYS 9 HZ1 LYS 9 -1.157 10.399 -8.406 80 2HZ LYS 9 HZ2 LYS 9 -0.063 9.236 -8.979 81 3HZ LYS 9 HZ3 LYS 9 -0.047 10.801 -9.626 82 H LYS 10 HN LYS 10 0.461 5.795 -3.007 83 HA LYS 10 HA LYS 10 3.149 5.039 -2.201 84 1HB LYS 10 HB2 LYS 10 0.677 5.755 -0.663 85 2HB LYS 10 HB3 LYS 10 2.061 5.014 0.126 86 1HG LYS 10 HG2 LYS 10 3.442 6.921 -0.823 87 2HG LYS 10 HG3 LYS 10 1.902 7.696 -1.214 88 1HD LYS 10 HD2 LYS 10 1.240 7.645 1.112 89 2HD LYS 10 HD3 LYS 10 2.686 6.732 1.536 90 1HE LYS 10 HE2 LYS 10 3.110 8.966 2.172 91 2HE LYS 10 HE3 LYS 10 4.029 8.695 0.694 92 1HZ LYS 10 HZ1 LYS 10 2.383 9.864 -0.556 93 2HZ LYS 10 HZ2 LYS 10 2.836 10.838 0.754 94 3HZ LYS 10 HZ3 LYS 10 1.364 9.998 0.791 95 H HIS 11 HN HIS 11 0.214 3.355 -2.951 96 HA HIS 11 HA HIS 11 1.262 1.056 -1.441 97 1HB HIS 11 HB2 HIS 11 -1.555 2.105 -1.309 98 2HB HIS 11 HB3 HIS 11 -1.109 0.485 -0.779 99 HD1 HIS 11 HD1 HIS 11 0.874 0.482 1.135 100 HD2 HIS 11 HD2 HIS 11 -1.282 4.002 0.616 101 HE1 HIS 11 HE1 HIS 11 1.247 1.818 3.227 102 HE2 HIS 11 HE2 HIS 11 0.154 4.043 2.774 103 H ILE 12 HN ILE 12 -0.199 2.098 -4.384 104 HA ILE 12 HA ILE 12 -0.813 -0.692 -5.032 105 HB ILE 12 HB ILE 12 -1.726 1.896 -6.221 106 1HG1 ILE 12 HG12 ILE 12 -3.857 0.425 -6.304 107 2HG1 ILE 12 HG13 ILE 12 -2.965 -0.662 -5.268 108 1HG2 ILE 12 HG21 ILE 12 -1.736 -0.744 -7.688 109 2HG2 ILE 12 HG22 ILE 12 -2.573 0.722 -8.200 110 3HG2 ILE 12 HG23 ILE 12 -0.811 0.691 -8.134 111 1HD1 ILE 12 HD11 ILE 12 -2.704 1.194 -3.648 112 2HD1 ILE 12 HD12 ILE 12 -3.779 2.152 -4.666 113 3HD1 ILE 12 HD13 ILE 12 -4.368 0.671 -3.917 114 H THR 13 HN THR 13 0.723 -1.845 -5.964 115 HA THR 13 HA THR 13 2.484 -0.518 -7.914 116 HB THR 13 HB THR 13 3.712 -0.978 -5.780 117 HG1 THR 13 HG1 THR 13 5.458 -2.122 -6.866 118 1HG2 THR 13 HG21 THR 13 3.189 -3.861 -6.499 119 2HG2 THR 13 HG22 THR 13 2.580 -3.010 -5.078 120 3HG2 THR 13 HG23 THR 13 4.313 -3.309 -5.254 121 H ASN 14 HN ASN 14 3.320 -1.966 -9.572 122 HA ASN 14 HA ASN 14 1.345 -4.073 -10.160 123 1HB ASN 14 HB2 ASN 14 2.992 -2.427 -12.091 124 2HB ASN 14 HB3 ASN 14 1.784 -3.627 -12.532 125 1HD2 ASN 14 HD21 ASN 14 -0.043 -2.831 -10.393 126 2HD2 ASN 14 HD22 ASN 14 -0.734 -1.328 -10.895 127 H THR 15 HN THR 15 4.034 -4.129 -8.740 128 HA THR 15 HA THR 15 5.076 -6.437 -10.196 129 HB THR 15 HB THR 15 6.493 -4.623 -10.945 130 HG1 THR 15 HG1 THR 15 8.514 -5.421 -10.158 131 1HG2 THR 15 HG21 THR 15 7.836 -3.291 -9.375 132 2HG2 THR 15 HG22 THR 15 6.996 -4.052 -8.024 133 3HG2 THR 15 HG23 THR 15 6.107 -3.028 -9.150 134 H ARG 16 HN ARG 16 6.021 -8.015 -8.868 135 HA ARG 16 HA ARG 16 5.240 -7.946 -6.107 136 1HB ARG 16 HB2 ARG 16 6.753 -9.940 -7.780 137 2HB ARG 16 HB3 ARG 16 6.610 -10.131 -6.037 138 1HG ARG 16 HG2 ARG 16 4.300 -9.920 -7.949 139 2HG ARG 16 HG3 ARG 16 4.930 -11.420 -7.264 140 1HD ARG 16 HD2 ARG 16 3.994 -9.134 -5.557 141 2HD ARG 16 HD3 ARG 16 2.895 -10.383 -6.132 142 HE ARG 16 HE ARG 16 4.511 -11.966 -4.944 143 1HH1 ARG 16 HH12 ARG 16 4.039 -8.656 -3.909 144 2HH1 ARG 16 HH11 ARG 16 4.202 -9.021 -2.220 145 1HH2 ARG 16 HH22 ARG 16 4.686 -12.456 -2.709 146 2HH2 ARG 16 HH21 ARG 16 4.540 -11.179 -1.544 147 H ASP 17 HN ASP 17 8.093 -7.208 -7.893 148 HA ASP 17 HA ASP 17 9.521 -6.757 -5.357 149 1HB ASP 17 HB2 ASP 17 10.537 -8.477 -6.906 150 2HB ASP 17 HB3 ASP 17 10.793 -7.184 -8.073 151 H VAL 18 HN VAL 18 8.603 -4.687 -5.131 152 HA VAL 18 HA VAL 18 8.881 -2.733 -7.213 153 HB VAL 18 HB VAL 18 6.992 -2.402 -5.842 154 1HG1 VAL 18 HG11 VAL 18 7.137 -2.063 -3.380 155 2HG1 VAL 18 HG12 VAL 18 7.541 -3.699 -3.907 156 3HG1 VAL 18 HG13 VAL 18 8.824 -2.575 -3.458 157 1HG2 VAL 18 HG21 VAL 18 7.355 -0.193 -4.809 158 2HG2 VAL 18 HG22 VAL 18 9.097 -0.418 -4.987 159 3HG2 VAL 18 HG23 VAL 18 8.067 -0.320 -6.418 160 H ASP 19 HN ASP 19 10.391 -1.124 -7.406 161 HA ASP 19 HA ASP 19 12.877 -1.564 -6.029 162 1HB ASP 19 HB2 ASP 19 12.653 -0.904 -8.490 163 2HB ASP 19 HB3 ASP 19 12.318 0.725 -7.907 164 H CYS 20 HN CYS 20 12.130 -1.129 -3.945 165 HA CYS 20 HA CYS 20 11.051 1.171 -2.908 166 1HB CYS 20 HB2 CYS 20 13.265 -0.339 -1.547 167 2HB CYS 20 HB3 CYS 20 11.857 0.437 -0.822 168 H ASP 21 HN ASP 21 14.441 0.444 -3.544 169 HA ASP 21 HA ASP 21 15.601 2.556 -2.144 170 1HB ASP 21 HB2 ASP 21 16.671 0.453 -3.153 171 2HB ASP 21 HB3 ASP 21 16.776 1.372 -4.650 172 H ASN 22 HN ASN 22 14.305 2.427 -5.396 173 HA ASN 22 HA ASN 22 15.247 5.135 -5.970 174 1HB ASN 22 HB2 ASN 22 15.302 3.195 -7.648 175 2HB ASN 22 HB3 ASN 22 13.559 3.382 -7.759 176 1HD2 ASN 22 HD21 ASN 22 15.505 3.690 -9.848 177 2HD2 ASN 22 HD22 ASN 22 15.369 5.315 -10.424 178 H ILE 23 HN ILE 23 12.189 3.343 -5.789 179 HA ILE 23 HA ILE 23 10.550 5.541 -6.427 180 HB ILE 23 HB ILE 23 9.918 2.939 -5.037 181 1HG1 ILE 23 HG12 ILE 23 9.462 3.960 -7.851 182 2HG1 ILE 23 HG13 ILE 23 10.662 2.769 -7.364 183 1HG2 ILE 23 HG21 ILE 23 7.962 4.995 -6.067 184 2HG2 ILE 23 HG22 ILE 23 7.557 3.407 -5.411 185 3HG2 ILE 23 HG23 ILE 23 8.274 4.638 -4.369 186 1HD1 ILE 23 HD11 ILE 23 7.678 2.429 -7.203 187 2HD1 ILE 23 HD12 ILE 23 8.742 1.725 -8.420 188 3HD1 ILE 23 HD13 ILE 23 8.883 1.229 -6.733 189 H LEU 24 HN LEU 24 11.652 4.283 -3.299 190 HA LEU 24 HA LEU 24 10.003 6.109 -1.817 191 1HB LEU 24 HB2 LEU 24 12.071 4.087 -1.129 192 2HB LEU 24 HB3 LEU 24 11.752 5.354 0.040 193 HG LEU 24 HG LEU 24 9.426 4.687 0.184 194 1HD1 LEU 24 HD11 LEU 24 9.076 3.968 -2.094 195 2HD1 LEU 24 HD12 LEU 24 10.118 2.569 -1.824 196 3HD1 LEU 24 HD13 LEU 24 8.588 2.713 -0.954 197 1HD2 LEU 24 HD21 LEU 24 11.299 2.349 0.441 198 2HD2 LEU 24 HD22 LEU 24 10.986 3.578 1.667 199 3HD2 LEU 24 HD23 LEU 24 9.703 2.471 1.180 200 H SER 25 HN SER 25 12.767 6.565 -3.604 201 HA SER 25 HA SER 25 13.933 8.553 -1.837 202 1HB SER 25 HB2 SER 25 15.385 7.099 -3.226 203 2HB SER 25 HB3 SER 25 14.676 7.806 -4.676 204 HG SER 25 HG SER 25 15.409 9.888 -3.522 205 H THR 26 HN THR 26 11.322 8.487 -3.824 206 HA THR 26 HA THR 26 11.622 11.068 -5.064 207 HB THR 26 HB THR 26 9.252 10.809 -5.700 208 HG1 THR 26 HG1 THR 26 9.205 8.209 -4.624 209 1HG2 THR 26 HG21 THR 26 10.914 8.330 -6.168 210 2HG2 THR 26 HG22 THR 26 10.955 9.809 -7.127 211 3HG2 THR 26 HG23 THR 26 9.503 8.810 -7.110 212 H ASN 27 HN ASN 27 9.844 12.731 -4.673 213 HA ASN 27 HA ASN 27 9.955 13.605 -1.971 214 1HB ASN 27 HB2 ASN 27 9.783 15.083 -3.992 215 2HB ASN 27 HB3 ASN 27 8.111 14.566 -4.173 216 1HD2 ASN 27 HD21 ASN 27 6.551 15.413 -2.846 217 2HD2 ASN 27 HD22 ASN 27 6.858 16.705 -1.732 218 H LEU 28 HN LEU 28 7.974 11.438 -3.603 219 HA LEU 28 HA LEU 28 5.515 11.796 -2.233 220 1HB LEU 28 HB2 LEU 28 5.671 10.733 -4.415 221 2HB LEU 28 HB3 LEU 28 6.662 9.453 -3.747 222 HG LEU 28 HG LEU 28 4.713 8.784 -2.324 223 1HD1 LEU 28 HD11 LEU 28 3.248 10.743 -4.089 224 2HD1 LEU 28 HD12 LEU 28 2.498 9.595 -2.981 225 3HD1 LEU 28 HD13 LEU 28 3.506 10.898 -2.352 226 1HD2 LEU 28 HD21 LEU 28 5.317 7.662 -4.429 227 2HD2 LEU 28 HD22 LEU 28 3.582 7.630 -4.117 228 3HD2 LEU 28 HD23 LEU 28 4.243 8.757 -5.301 229 H PHE 29 HN PHE 29 8.492 10.288 -1.374 230 HA PHE 29 HA PHE 29 7.192 9.018 0.945 231 1HB PHE 29 HB2 PHE 29 9.421 7.822 -0.724 232 2HB PHE 29 HB3 PHE 29 8.862 7.175 0.811 233 HD1 PHE 29 HD1 PHE 29 8.313 7.352 -2.731 234 HD2 PHE 29 HD2 PHE 29 6.553 6.251 0.978 235 HE1 PHE 29 HE1 PHE 29 6.668 5.981 -3.929 236 HE2 PHE 29 HE2 PHE 29 4.894 4.876 -0.213 237 HZ PHE 29 HZ PHE 29 4.954 4.737 -2.669 238 H HIS 30 HN HIS 30 9.892 10.595 -0.514 239 HA HIS 30 HA HIS 30 11.857 11.385 0.213 240 1HB HIS 30 HB2 HIS 30 11.696 13.067 1.939 241 2HB HIS 30 HB3 HIS 30 10.329 13.156 0.856 242 HD1 HIS 30 HD1 HIS 30 11.249 12.526 4.401 243 HD2 HIS 30 HD2 HIS 30 7.852 12.589 2.011 244 HE1 HIS 30 HE1 HIS 30 9.300 12.559 6.000 245 HE2 HIS 30 HE2 HIS 30 7.261 12.780 4.522 246 H CYS 31 HN CYS 31 11.649 8.779 0.786 247 HA CYS 31 HA CYS 31 12.735 7.118 1.824 248 1HB CYS 31 HB2 CYS 31 14.432 9.298 3.057 249 2HB CYS 31 HB3 CYS 31 14.872 7.609 2.831 250 H LYS 32 HN LYS 32 10.668 6.908 3.033 251 HA LYS 32 HA LYS 32 10.740 7.450 5.856 252 1HB LYS 32 HB2 LYS 32 8.694 6.177 5.969 253 2HB LYS 32 HB3 LYS 32 8.620 7.246 4.579 254 1HG LYS 32 HG2 LYS 32 9.435 5.171 3.249 255 2HG LYS 32 HG3 LYS 32 8.890 4.275 4.664 256 1HD LYS 32 HD2 LYS 32 7.186 6.201 3.090 257 2HD LYS 32 HD3 LYS 32 7.159 4.447 2.906 258 1HE LYS 32 HE2 LYS 32 6.454 4.206 5.228 259 2HE LYS 32 HE3 LYS 32 6.522 5.955 5.441 260 1HZ LYS 32 HZ1 LYS 32 4.767 4.622 3.451 261 2HZ LYS 32 HZ2 LYS 32 4.727 6.242 3.951 262 3HZ LYS 32 HZ3 LYS 32 4.262 5.021 5.020 263 H ASP 33 HN ASP 33 10.320 5.360 7.307 264 HA ASP 33 HA ASP 33 12.743 3.851 7.202 265 1HB ASP 33 HB2 ASP 33 10.280 3.470 8.918 266 2HB ASP 33 HB3 ASP 33 11.799 2.609 9.139 267 H LYS 34 HN LYS 34 9.329 2.914 6.915 268 HA LYS 34 HA LYS 34 10.067 0.879 4.973 269 1HB LYS 34 HB2 LYS 34 8.632 -0.796 6.221 270 2HB LYS 34 HB3 LYS 34 10.174 -0.403 6.977 271 1HG LYS 34 HG2 LYS 34 8.872 1.322 8.318 272 2HG LYS 34 HG3 LYS 34 7.424 0.479 7.769 273 1HD LYS 34 HD2 LYS 34 9.645 -1.076 8.998 274 2HD LYS 34 HD3 LYS 34 8.584 -0.135 10.040 275 1HE LYS 34 HE2 LYS 34 7.752 -2.390 9.919 276 2HE LYS 34 HE3 LYS 34 6.637 -1.330 9.064 277 1HZ LYS 34 HZ1 LYS 34 7.135 -3.465 7.927 278 2HZ LYS 34 HZ2 LYS 34 8.733 -2.941 7.714 279 3HZ LYS 34 HZ3 LYS 34 7.458 -2.092 6.987 280 H ASN 35 HN ASN 35 8.285 0.125 3.712 281 HA ASN 35 HA ASN 35 5.731 1.512 4.005 282 1HB ASN 35 HB2 ASN 35 7.230 2.962 2.576 283 2HB ASN 35 HB3 ASN 35 7.267 1.653 1.406 284 1HD2 ASN 35 HD21 ASN 35 5.485 1.241 0.164 285 2HD2 ASN 35 HD22 ASN 35 4.128 2.311 0.070 286 H THR 36 HN THR 36 4.053 0.229 3.380 287 HA THR 36 HA THR 36 4.733 -2.394 2.266 288 HB THR 36 HB THR 36 2.131 -1.489 3.522 289 HG1 THR 36 HG1 THR 36 4.262 -3.034 4.648 290 1HG2 THR 36 HG21 THR 36 3.200 -4.239 2.872 291 2HG2 THR 36 HG22 THR 36 1.883 -3.413 2.037 292 3HG2 THR 36 HG23 THR 36 1.692 -3.898 3.722 293 H PHE 37 HN PHE 37 4.588 -2.544 0.111 294 HA PHE 37 HA PHE 37 2.518 -1.032 -1.305 295 1HB PHE 37 HB2 PHE 37 4.836 -2.683 -2.322 296 2HB PHE 37 HB3 PHE 37 3.657 -1.895 -3.363 297 HD1 PHE 37 HD1 PHE 37 6.482 -1.374 -1.070 298 HD2 PHE 37 HD2 PHE 37 3.702 0.471 -3.713 299 HE1 PHE 37 HE1 PHE 37 7.812 0.688 -1.027 300 HE2 PHE 37 HE2 PHE 37 5.036 2.534 -3.674 301 HZ PHE 37 HZ PHE 37 7.176 2.583 -2.387 302 H ILE 38 HN ILE 38 1.099 -2.048 -2.764 303 HA ILE 38 HA ILE 38 0.461 -4.841 -2.069 304 HB ILE 38 HB ILE 38 -1.391 -2.621 -2.970 305 1HG1 ILE 38 HG12 ILE 38 -1.305 -3.960 -0.267 306 2HG1 ILE 38 HG13 ILE 38 -0.426 -2.476 -0.619 307 1HG2 ILE 38 HG21 ILE 38 -2.055 -5.420 -2.063 308 2HG2 ILE 38 HG22 ILE 38 -3.211 -4.165 -2.516 309 3HG2 ILE 38 HG23 ILE 38 -2.119 -4.838 -3.726 310 1HD1 ILE 38 HD11 ILE 38 -2.538 -2.027 0.493 311 2HD1 ILE 38 HD12 ILE 38 -2.519 -1.351 -1.135 312 3HD1 ILE 38 HD13 ILE 38 -3.407 -2.839 -0.810 313 H TYR 39 HN TYR 39 0.892 -6.202 -3.700 314 HA TYR 39 HA TYR 39 1.079 -5.246 -6.417 315 1HB TYR 39 HB2 TYR 39 2.653 -6.957 -5.811 316 2HB TYR 39 HB3 TYR 39 1.369 -8.014 -5.235 317 HD1 TYR 39 HD1 TYR 39 2.335 -6.218 -8.370 318 HD2 TYR 39 HD2 TYR 39 0.731 -9.745 -6.620 319 HE1 TYR 39 HE1 TYR 39 2.182 -7.247 -10.596 320 HE2 TYR 39 HE2 TYR 39 0.573 -10.786 -8.840 321 HH TYR 39 HH TYR 39 1.996 -9.317 -11.658 322 H SER 40 HN SER 40 -0.861 -4.573 -7.024 323 HA SER 40 HA SER 40 -2.645 -6.381 -8.164 324 1HB SER 40 HB2 SER 40 -3.293 -6.729 -5.737 325 2HB SER 40 HB3 SER 40 -3.772 -5.038 -5.682 326 HG SER 40 HG SER 40 -4.882 -7.137 -7.231 327 H ARG 41 HN ARG 41 -4.747 -5.006 -8.794 328 HA ARG 41 HA ARG 41 -3.686 -2.475 -9.726 329 1HB ARG 41 HB2 ARG 41 -6.171 -4.022 -10.393 330 2HB ARG 41 HB3 ARG 41 -5.953 -2.367 -10.923 331 1HG ARG 41 HG2 ARG 41 -4.056 -4.612 -11.537 332 2HG ARG 41 HG3 ARG 41 -5.318 -4.031 -12.629 333 1HD ARG 41 HD2 ARG 41 -4.312 -1.844 -12.685 334 2HD ARG 41 HD3 ARG 41 -3.115 -2.324 -11.488 335 HE ARG 41 HE ARG 41 -2.769 -4.081 -13.556 336 1HH1 ARG 41 HH12 ARG 41 -2.847 -0.592 -13.276 337 2HH1 ARG 41 HH11 ARG 41 -1.593 -0.338 -14.460 338 1HH2 ARG 41 HH22 ARG 41 -1.136 -3.760 -15.136 339 2HH2 ARG 41 HH21 ARG 41 -0.647 -2.140 -15.541 340 HA PRO 42 HA PRO 42 -5.583 0.154 -6.806 341 1HB PRO 42 HB2 PRO 42 -6.493 2.147 -8.478 342 2HB PRO 42 HB3 PRO 42 -4.828 1.996 -7.922 343 1HG PRO 42 HG2 PRO 42 -6.054 1.204 -10.523 344 2HG PRO 42 HG3 PRO 42 -4.455 1.897 -10.198 345 1HD PRO 42 HD2 PRO 42 -4.827 -0.735 -10.718 346 2HD PRO 42 HD3 PRO 42 -3.546 -0.139 -9.638 347 H GLU 43 HN GLU 43 -7.419 -0.822 -9.618 348 HA GLU 43 HA GLU 43 -9.873 0.310 -8.750 349 1HB GLU 43 HB2 GLU 43 -9.142 -1.629 -10.925 350 2HB GLU 43 HB3 GLU 43 -10.791 -1.105 -10.640 351 1HG GLU 43 HG2 GLU 43 -10.138 1.211 -11.001 352 2HG GLU 43 HG3 GLU 43 -8.466 0.710 -11.230 353 HA PRO 44 HA PRO 44 -10.961 -4.292 -7.492 354 1HB PRO 44 HB2 PRO 44 -8.740 -5.816 -6.940 355 2HB PRO 44 HB3 PRO 44 -9.654 -5.898 -8.447 356 1HG PRO 44 HG2 PRO 44 -7.122 -4.430 -7.839 357 2HG PRO 44 HG3 PRO 44 -7.567 -5.356 -9.287 358 1HD PRO 44 HD2 PRO 44 -7.672 -2.672 -9.262 359 2HD PRO 44 HD3 PRO 44 -8.863 -3.638 -10.131 360 H VAL 45 HN VAL 45 -8.233 -2.417 -6.314 361 HA VAL 45 HA VAL 45 -8.678 -3.296 -3.577 362 HB VAL 45 HB VAL 45 -6.801 -1.193 -4.691 363 1HG1 VAL 45 HG11 VAL 45 -5.756 -1.175 -2.479 364 2HG1 VAL 45 HG12 VAL 45 -7.435 -0.637 -2.403 365 3HG1 VAL 45 HG13 VAL 45 -7.006 -2.267 -1.881 366 1HG2 VAL 45 HG21 VAL 45 -6.198 -3.459 -5.333 367 2HG2 VAL 45 HG22 VAL 45 -5.049 -2.822 -4.157 368 3HG2 VAL 45 HG23 VAL 45 -6.283 -3.974 -3.647 369 H LYS 46 HN LYS 46 -9.405 -0.581 -5.660 370 HA LYS 46 HA LYS 46 -10.533 1.088 -3.649 371 1HB LYS 46 HB2 LYS 46 -9.772 1.800 -5.957 372 2HB LYS 46 HB3 LYS 46 -11.223 1.040 -6.592 373 1HG LYS 46 HG2 LYS 46 -12.611 2.577 -5.325 374 2HG LYS 46 HG3 LYS 46 -11.168 3.313 -4.618 375 1HD LYS 46 HD2 LYS 46 -10.423 3.813 -6.978 376 2HD LYS 46 HD3 LYS 46 -12.042 3.342 -7.497 377 1HE LYS 46 HE2 LYS 46 -13.020 5.086 -6.149 378 2HE LYS 46 HE3 LYS 46 -11.439 5.510 -5.492 379 1HZ LYS 46 HZ1 LYS 46 -10.754 6.022 -7.817 380 2HZ LYS 46 HZ2 LYS 46 -11.948 7.053 -7.197 381 3HZ LYS 46 HZ3 LYS 46 -12.370 5.825 -8.293 382 H ALA 47 HN ALA 47 -11.650 -1.567 -5.584 383 HA ALA 47 HA ALA 47 -14.429 -1.255 -5.245 384 1HB ALA 47 HB1 ALA 47 -14.583 -3.593 -5.930 385 2HB ALA 47 HB2 ALA 47 -13.458 -2.701 -6.956 386 3HB ALA 47 HB3 ALA 47 -12.845 -3.779 -5.702 387 H ILE 48 HN ILE 48 -11.947 -2.410 -3.142 388 HA ILE 48 HA ILE 48 -13.482 -3.959 -1.365 389 HB ILE 48 HB ILE 48 -11.082 -2.244 -0.664 390 1HG1 ILE 48 HG12 ILE 48 -11.160 -5.142 -1.536 391 2HG1 ILE 48 HG13 ILE 48 -10.707 -3.805 -2.591 392 1HG2 ILE 48 HG21 ILE 48 -12.331 -3.073 1.275 393 2HG2 ILE 48 HG22 ILE 48 -12.201 -4.720 0.655 394 3HG2 ILE 48 HG23 ILE 48 -10.749 -3.843 1.146 395 1HD1 ILE 48 HD11 ILE 48 -8.829 -3.300 -1.107 396 2HD1 ILE 48 HD12 ILE 48 -9.285 -4.662 -0.082 397 3HD1 ILE 48 HD13 ILE 48 -8.753 -4.944 -1.740 398 H CYS 49 HN CYS 49 -13.111 -0.536 -1.836 399 HA CYS 49 HA CYS 49 -14.621 0.031 0.611 400 1HB CYS 49 HB2 CYS 49 -12.964 1.801 -1.185 401 2HB CYS 49 HB3 CYS 49 -13.843 2.365 0.234 402 H LYS 50 HN LYS 50 -15.433 -0.729 -2.362 403 HA LYS 50 HA LYS 50 -17.020 1.380 -3.327 404 1HB LYS 50 HB2 LYS 50 -16.409 -0.582 -4.687 405 2HB LYS 50 HB3 LYS 50 -17.428 -1.596 -3.675 406 1HG LYS 50 HG2 LYS 50 -19.390 -0.301 -4.379 407 2HG LYS 50 HG3 LYS 50 -18.355 0.674 -5.422 408 1HD LYS 50 HD2 LYS 50 -19.438 -1.015 -6.748 409 2HD LYS 50 HD3 LYS 50 -17.719 -1.389 -6.639 410 1HE LYS 50 HE2 LYS 50 -18.179 -3.032 -4.890 411 2HE LYS 50 HE3 LYS 50 -19.898 -2.641 -4.972 412 1HZ LYS 50 HZ1 LYS 50 -19.349 -4.645 -6.229 413 2HZ LYS 50 HZ2 LYS 50 -18.288 -3.755 -7.207 414 3HZ LYS 50 HZ3 LYS 50 -19.951 -3.423 -7.242 415 H GLY 51 HN GLY 51 -18.700 2.294 -2.425 416 1HA GLY 51 HA1 GLY 51 -20.928 2.280 -1.659 417 2HA GLY 51 HA2 GLY 51 -20.698 0.632 -1.092 418 H ILE 52 HN ILE 52 -18.019 2.229 -0.083 419 HA ILE 52 HA ILE 52 -19.245 2.706 2.550 420 HB ILE 52 HB ILE 52 -16.287 2.488 2.046 421 1HG1 ILE 52 HG12 ILE 52 -17.298 0.431 1.169 422 2HG1 ILE 52 HG13 ILE 52 -16.418 0.111 2.656 423 1HG2 ILE 52 HG21 ILE 52 -17.053 3.434 4.180 424 2HG2 ILE 52 HG22 ILE 52 -17.968 1.960 4.492 425 3HG2 ILE 52 HG23 ILE 52 -16.208 1.901 4.403 426 1HD1 ILE 52 HD11 ILE 52 -19.400 0.378 2.386 427 2HD1 ILE 52 HD12 ILE 52 -18.497 -1.122 2.596 428 3HD1 ILE 52 HD13 ILE 52 -18.528 0.077 3.891 429 H ILE 53 HN ILE 53 -19.954 4.826 2.281 430 HA ILE 53 HA ILE 53 -18.147 6.849 1.316 431 HB ILE 53 HB ILE 53 -20.975 6.938 2.349 432 1HG1 ILE 53 HG12 ILE 53 -21.444 7.738 0.067 433 2HG1 ILE 53 HG13 ILE 53 -19.742 7.611 -0.335 434 1HG2 ILE 53 HG21 ILE 53 -21.008 9.340 1.846 435 2HG2 ILE 53 HG22 ILE 53 -19.875 8.959 3.143 436 3HG2 ILE 53 HG23 ILE 53 -19.275 9.289 1.519 437 1HD1 ILE 53 HD11 ILE 53 -21.607 5.347 0.342 438 2HD1 ILE 53 HD12 ILE 53 -20.977 5.760 -1.256 439 3HD1 ILE 53 HD13 ILE 53 -19.881 5.184 0.003 440 H ALA 54 HN ALA 54 -19.729 6.110 4.430 441 HA ALA 54 HA ALA 54 -18.227 8.086 5.856 442 1HB ALA 54 HB1 ALA 54 -19.172 7.095 7.861 443 2HB ALA 54 HB2 ALA 54 -20.422 7.306 6.636 444 3HB ALA 54 HB3 ALA 54 -19.738 5.707 6.932 445 H SER 55 HN SER 55 -16.350 7.895 6.947 446 HA SER 55 HA SER 55 -14.414 6.072 6.231 447 1HB SER 55 HB2 SER 55 -13.221 6.862 8.316 448 2HB SER 55 HB3 SER 55 -13.782 8.144 7.241 449 HG SER 55 HG SER 55 -15.420 7.239 9.349 450 H LYS 56 HN LYS 56 -14.521 3.941 6.451 451 HA LYS 56 HA LYS 56 -15.066 2.826 9.112 452 1HB LYS 56 HB2 LYS 56 -17.140 2.691 7.753 453 2HB LYS 56 HB3 LYS 56 -16.261 1.781 6.534 454 1HG LYS 56 HG2 LYS 56 -15.872 -0.008 8.159 455 2HG LYS 56 HG3 LYS 56 -16.785 0.903 9.365 456 1HD LYS 56 HD2 LYS 56 -18.770 0.804 7.933 457 2HD LYS 56 HD3 LYS 56 -17.855 -0.100 6.726 458 1HE LYS 56 HE2 LYS 56 -19.188 -1.629 8.027 459 2HE LYS 56 HE3 LYS 56 -17.483 -1.884 8.387 460 1HZ LYS 56 HZ1 LYS 56 -17.781 -0.535 10.400 461 2HZ LYS 56 HZ2 LYS 56 -18.766 -1.916 10.403 462 3HZ LYS 56 HZ3 LYS 56 -19.438 -0.399 10.063 463 H ASN 57 HN ASN 57 -13.689 1.228 9.677 464 HA ASN 57 HA ASN 57 -11.514 0.582 7.883 465 1HB ASN 57 HB2 ASN 57 -12.156 -0.254 10.718 466 2HB ASN 57 HB3 ASN 57 -10.749 -0.842 9.842 467 1HD2 ASN 57 HD21 ASN 57 -10.921 0.715 12.288 468 2HD2 ASN 57 HD22 ASN 57 -10.004 2.151 11.997 469 H VAL 58 HN VAL 58 -11.711 -0.992 6.406 470 HA VAL 58 HA VAL 58 -13.291 -3.355 7.172 471 HB VAL 58 HB VAL 58 -13.968 -3.703 4.913 472 1HG1 VAL 58 HG11 VAL 58 -14.330 -0.792 5.581 473 2HG1 VAL 58 HG12 VAL 58 -15.329 -1.737 4.477 474 3HG1 VAL 58 HG13 VAL 58 -15.306 -2.124 6.199 475 1HG2 VAL 58 HG21 VAL 58 -13.353 -2.207 3.077 476 2HG2 VAL 58 HG22 VAL 58 -12.261 -1.344 4.162 477 3HG2 VAL 58 HG23 VAL 58 -11.951 -3.033 3.764 478 H LEU 59 HN LEU 59 -12.369 -5.292 6.988 479 HA LEU 59 HA LEU 59 -9.548 -5.356 6.200 480 1HB LEU 59 HB2 LEU 59 -10.101 -5.976 8.515 481 2HB LEU 59 HB3 LEU 59 -11.177 -7.222 7.937 482 HG LEU 59 HG LEU 59 -8.789 -7.806 8.824 483 1HD1 LEU 59 HD11 LEU 59 -10.380 -9.424 7.973 484 2HD1 LEU 59 HD12 LEU 59 -9.903 -9.035 6.321 485 3HD1 LEU 59 HD13 LEU 59 -8.745 -9.787 7.418 486 1HD2 LEU 59 HD21 LEU 59 -7.540 -6.327 7.377 487 2HD2 LEU 59 HD22 LEU 59 -7.132 -8.009 7.041 488 3HD2 LEU 59 HD23 LEU 59 -8.206 -7.129 5.954 489 H THR 60 HN THR 60 -8.849 -6.637 4.566 490 HA THR 60 HA THR 60 -10.787 -7.600 2.704 491 HB THR 60 HB THR 60 -8.840 -8.383 1.389 492 HG1 THR 60 HG1 THR 60 -7.214 -8.935 2.659 493 1HG2 THR 60 HG21 THR 60 -8.554 -5.600 2.521 494 2HG2 THR 60 HG22 THR 60 -9.561 -6.073 1.151 495 3HG2 THR 60 HG23 THR 60 -7.804 -6.178 1.034 496 H THR 61 HN THR 61 -11.493 -9.610 2.342 497 HA THR 61 HA THR 61 -11.404 -11.432 4.484 498 HB THR 61 HB THR 61 -12.668 -12.909 2.865 499 HG1 THR 61 HG1 THR 61 -13.066 -12.148 0.857 500 1HG2 THR 61 HG21 THR 61 -13.804 -11.407 4.419 501 2HG2 THR 61 HG22 THR 61 -14.654 -11.445 2.873 502 3HG2 THR 61 HG23 THR 61 -13.621 -10.072 3.281 503 H SER 62 HN SER 62 -9.449 -11.112 1.674 504 HA SER 62 HA SER 62 -8.195 -13.711 2.227 505 1HB SER 62 HB2 SER 62 -8.625 -12.459 -0.495 506 2HB SER 62 HB3 SER 62 -7.799 -13.984 -0.177 507 HG SER 62 HG SER 62 -10.023 -14.353 0.988 508 H GLU 63 HN GLU 63 -5.921 -13.850 1.462 509 HA GLU 63 HA GLU 63 -4.481 -11.476 2.192 510 1HB GLU 63 HB2 GLU 63 -3.388 -14.087 1.125 511 2HB GLU 63 HB3 GLU 63 -2.457 -12.795 1.846 512 1HG GLU 63 HG2 GLU 63 -2.696 -14.552 3.432 513 2HG GLU 63 HG3 GLU 63 -3.629 -13.163 3.975 514 H PHE 64 HN PHE 64 -3.315 -10.147 0.917 515 HA PHE 64 HA PHE 64 -3.461 -10.602 -1.984 516 1HB PHE 64 HB2 PHE 64 -3.322 -8.060 -0.375 517 2HB PHE 64 HB3 PHE 64 -2.921 -8.095 -2.085 518 HD1 PHE 64 HD1 PHE 64 -4.577 -7.913 -3.691 519 HD2 PHE 64 HD2 PHE 64 -5.650 -8.884 0.311 520 HE1 PHE 64 HE1 PHE 64 -6.952 -7.645 -4.270 521 HE2 PHE 64 HE2 PHE 64 -8.030 -8.622 -0.262 522 HZ PHE 64 HZ PHE 64 -8.683 -8.000 -2.554 523 H TYR 65 HN TYR 65 -1.539 -9.597 -3.155 524 HA TYR 65 HA TYR 65 0.808 -10.811 -1.954 525 1HB TYR 65 HB2 TYR 65 0.531 -9.509 -4.671 526 2HB TYR 65 HB3 TYR 65 1.817 -10.592 -4.144 527 HD1 TYR 65 HD1 TYR 65 -1.258 -10.380 -5.860 528 HD2 TYR 65 HD2 TYR 65 1.023 -12.983 -3.384 529 HE1 TYR 65 HE1 TYR 65 -2.561 -12.293 -6.686 530 HE2 TYR 65 HE2 TYR 65 -0.271 -14.907 -4.206 531 HH TYR 65 HH TYR 65 -2.270 -14.758 -6.918 532 H LEU 66 HN LEU 66 1.758 -9.527 -0.475 533 HA LEU 66 HA LEU 66 1.846 -6.642 -0.997 534 1HB LEU 66 HB2 LEU 66 2.336 -8.120 1.584 535 2HB LEU 66 HB3 LEU 66 2.207 -6.382 1.385 536 HG LEU 66 HG LEU 66 -0.016 -8.370 0.940 537 1HD1 LEU 66 HD11 LEU 66 -1.010 -7.353 2.934 538 2HD1 LEU 66 HD12 LEU 66 0.539 -8.119 3.290 539 3HD1 LEU 66 HD13 LEU 66 0.436 -6.365 3.141 540 1HD2 LEU 66 HD21 LEU 66 -1.447 -6.389 0.726 541 2HD2 LEU 66 HD22 LEU 66 -0.016 -5.360 0.812 542 3HD2 LEU 66 HD23 LEU 66 -0.227 -6.465 -0.546 543 H SER 67 HN SER 67 3.737 -5.476 -0.827 544 HA SER 67 HA SER 67 6.224 -7.018 -0.523 545 1HB SER 67 HB2 SER 67 5.750 -4.768 -2.503 546 2HB SER 67 HB3 SER 67 7.247 -5.677 -2.294 547 HG SER 67 HG SER 67 6.458 -7.039 -3.671 548 H ASP 68 HN ASP 68 7.126 -6.336 1.293 549 HA ASP 68 HA ASP 68 6.627 -3.624 2.240 550 1HB ASP 68 HB2 ASP 68 7.802 -6.068 3.540 551 2HB ASP 68 HB3 ASP 68 7.964 -4.476 4.271 552 H CYS 69 HN CYS 69 7.988 -2.055 1.910 553 HA CYS 69 HA CYS 69 10.769 -2.649 1.225 554 1HB CYS 69 HB2 CYS 69 9.121 -0.120 1.105 555 2HB CYS 69 HB3 CYS 69 10.838 -0.188 0.713 556 H ASN 70 HN ASN 70 12.260 -2.579 2.780 557 HA ASN 70 HA ASN 70 11.736 -0.893 5.152 558 1HB ASN 70 HB2 ASN 70 12.955 -3.671 5.209 559 2HB ASN 70 HB3 ASN 70 12.660 -2.630 6.594 560 1HD2 ASN 70 HD21 ASN 70 11.246 -4.742 4.244 561 2HD2 ASN 70 HD22 ASN 70 9.703 -4.888 5.004 562 H VAL 71 HN VAL 71 13.399 0.267 5.851 563 HA VAL 71 HA VAL 71 15.723 0.577 4.291 564 HB VAL 71 HB VAL 71 14.705 2.340 5.710 565 1HG1 VAL 71 HG11 VAL 71 15.262 2.416 8.106 566 2HG1 VAL 71 HG12 VAL 71 14.194 1.076 7.687 567 3HG1 VAL 71 HG13 VAL 71 15.906 0.779 7.982 568 1HG2 VAL 71 HG21 VAL 71 16.817 3.334 6.470 569 2HG2 VAL 71 HG22 VAL 71 17.614 1.773 6.271 570 3HG2 VAL 71 HG23 VAL 71 16.967 2.617 4.865 571 H THR 72 HN THR 72 17.893 0.018 4.743 572 HA THR 72 HA THR 72 18.119 -2.310 6.529 573 HB THR 72 HB THR 72 20.019 -3.012 4.990 574 HG1 THR 72 HG1 THR 72 18.749 -1.120 3.263 575 1HG2 THR 72 HG21 THR 72 17.230 -2.901 3.831 576 2HG2 THR 72 HG22 THR 72 17.819 -4.099 4.984 577 3HG2 THR 72 HG23 THR 72 18.505 -4.028 3.360 578 H SER 73 HN SER 73 20.959 -1.165 4.989 579 HA SER 73 HA SER 73 22.076 -0.629 7.629 580 1HB SER 73 HB2 SER 73 24.265 -0.758 6.347 581 2HB SER 73 HB3 SER 73 23.301 -2.236 6.366 582 HG SER 73 HG SER 73 23.467 -2.127 4.270 583 H ARG 74 HN ARG 74 21.517 0.936 4.551 584 HA ARG 74 HA ARG 74 22.627 3.425 5.652 585 1HB ARG 74 HB2 ARG 74 22.282 2.482 2.813 586 2HB ARG 74 HB3 ARG 74 22.562 4.173 3.206 587 1HG ARG 74 HG2 ARG 74 24.685 3.634 4.206 588 2HG ARG 74 HG3 ARG 74 24.394 1.913 3.956 589 1HD ARG 74 HD2 ARG 74 24.450 2.194 1.569 590 2HD ARG 74 HD3 ARG 74 24.550 3.947 1.739 591 HE ARG 74 HE ARG 74 26.742 3.385 2.970 592 1HH1 ARG 74 HH12 ARG 74 25.470 1.603 0.222 593 2HH1 ARG 74 HH11 ARG 74 27.041 1.094 -0.324 594 1HH2 ARG 74 HH22 ARG 74 28.781 2.728 2.235 595 2HH2 ARG 74 HH21 ARG 74 28.922 1.737 0.815 596 HA PRO 75 HA PRO 75 18.539 5.142 5.877 597 1HB PRO 75 HB2 PRO 75 19.862 7.661 5.043 598 2HB PRO 75 HB3 PRO 75 18.873 7.326 6.467 599 1HG PRO 75 HG2 PRO 75 21.528 7.618 6.651 600 2HG PRO 75 HG3 PRO 75 20.645 6.463 7.666 601 1HD PRO 75 HD2 PRO 75 22.338 5.969 5.255 602 2HD PRO 75 HD3 PRO 75 22.144 4.987 6.721 603 H CYS 76 HN CYS 76 17.011 5.132 4.401 604 HA CYS 76 HA CYS 76 15.870 5.288 2.466 605 1HB CYS 76 HB2 CYS 76 16.926 7.594 2.403 606 2HB CYS 76 HB3 CYS 76 18.132 6.919 1.319 607 H LYS 77 HN LYS 77 18.422 3.476 2.925 608 HA LYS 77 HA LYS 77 18.398 2.335 0.206 609 1HB LYS 77 HB2 LYS 77 20.352 2.271 2.442 610 2HB LYS 77 HB3 LYS 77 20.183 0.785 1.522 611 1HG LYS 77 HG2 LYS 77 22.017 2.179 0.706 612 2HG LYS 77 HG3 LYS 77 20.771 1.943 -0.519 613 1HD LYS 77 HD2 LYS 77 20.401 4.318 1.150 614 2HD LYS 77 HD3 LYS 77 21.862 4.348 0.160 615 1HE LYS 77 HE2 LYS 77 19.037 3.903 -0.800 616 2HE LYS 77 HE3 LYS 77 19.990 5.369 -1.015 617 1HZ LYS 77 HZ1 LYS 77 20.820 2.733 -2.090 618 2HZ LYS 77 HZ2 LYS 77 21.444 4.256 -2.493 619 3HZ LYS 77 HZ3 LYS 77 19.876 3.825 -2.969 620 H TYR 78 HN TYR 78 17.131 0.619 -0.139 621 HA TYR 78 HA TYR 78 16.059 -0.760 2.247 622 1HB TYR 78 HB2 TYR 78 14.413 -0.211 -0.211 623 2HB TYR 78 HB3 TYR 78 13.863 -0.706 1.385 624 HD1 TYR 78 HD1 TYR 78 13.843 0.911 3.235 625 HD2 TYR 78 HD2 TYR 78 14.760 2.089 -0.745 626 HE1 TYR 78 HE1 TYR 78 13.435 3.253 3.843 627 HE2 TYR 78 HE2 TYR 78 14.350 4.438 -0.149 628 HH TYR 78 HH TYR 78 13.935 5.436 3.129 629 H LYS 79 HN LYS 79 15.185 -2.848 1.907 630 HA LYS 79 HA LYS 79 15.814 -4.119 -0.660 631 1HB LYS 79 HB2 LYS 79 16.150 -5.186 2.128 632 2HB LYS 79 HB3 LYS 79 15.925 -6.273 0.769 633 1HG LYS 79 HG2 LYS 79 17.896 -5.192 -0.308 634 2HG LYS 79 HG3 LYS 79 18.147 -4.307 1.196 635 1HD LYS 79 HD2 LYS 79 18.498 -6.336 2.410 636 2HD LYS 79 HD3 LYS 79 18.038 -7.310 1.011 637 1HE LYS 79 HE2 LYS 79 20.434 -5.489 1.189 638 2HE LYS 79 HE3 LYS 79 20.464 -7.247 1.305 639 1HZ LYS 79 HZ1 LYS 79 19.569 -5.693 -1.067 640 2HZ LYS 79 HZ2 LYS 79 19.620 -7.385 -0.952 641 3HZ LYS 79 HZ3 LYS 79 21.060 -6.484 -0.912 642 H LEU 80 HN LEU 80 14.308 -5.865 -1.222 643 HA LEU 80 HA LEU 80 11.631 -4.974 -0.497 644 1HB LEU 80 HB2 LEU 80 12.508 -5.185 -2.890 645 2HB LEU 80 HB3 LEU 80 12.359 -6.915 -2.676 646 HG LEU 80 HG LEU 80 10.455 -5.598 -3.847 647 1HD1 LEU 80 HD11 LEU 80 10.324 -7.961 -3.309 648 2HD1 LEU 80 HD12 LEU 80 9.851 -7.566 -1.655 649 3HD1 LEU 80 HD13 LEU 80 8.786 -7.156 -2.998 650 1HD2 LEU 80 HD21 LEU 80 8.721 -4.799 -2.339 651 2HD2 LEU 80 HD22 LEU 80 9.772 -5.114 -0.958 652 3HD2 LEU 80 HD23 LEU 80 10.214 -3.882 -2.140 653 H LYS 81 HN LYS 81 10.000 -6.340 0.136 654 HA LYS 81 HA LYS 81 10.782 -9.017 1.085 655 1HB LYS 81 HB2 LYS 81 10.795 -7.654 3.043 656 2HB LYS 81 HB3 LYS 81 9.322 -6.826 2.563 657 1HG LYS 81 HG2 LYS 81 8.185 -9.106 2.788 658 2HG LYS 81 HG3 LYS 81 9.644 -9.593 3.658 659 1HD LYS 81 HD2 LYS 81 9.307 -7.973 5.336 660 2HD LYS 81 HD3 LYS 81 8.092 -7.125 4.380 661 1HE LYS 81 HE2 LYS 81 6.766 -9.325 4.528 662 2HE LYS 81 HE3 LYS 81 7.858 -9.720 5.855 663 1HZ LYS 81 HZ1 LYS 81 6.088 -7.340 5.679 664 2HZ LYS 81 HZ2 LYS 81 7.197 -7.632 6.931 665 3HZ LYS 81 HZ3 LYS 81 5.879 -8.679 6.703 666 H LYS 82 HN LYS 82 9.570 -10.422 -0.055 667 HA LYS 82 HA LYS 82 6.921 -9.614 -0.974 668 1HB LYS 82 HB2 LYS 82 8.492 -12.121 -1.589 669 2HB LYS 82 HB3 LYS 82 7.049 -11.556 -2.422 670 1HG LYS 82 HG2 LYS 82 8.246 -9.614 -3.232 671 2HG LYS 82 HG3 LYS 82 9.689 -10.113 -2.352 672 1HD LYS 82 HD2 LYS 82 9.823 -12.133 -3.704 673 2HD LYS 82 HD3 LYS 82 8.358 -11.661 -4.560 674 1HE LYS 82 HE2 LYS 82 10.242 -11.074 -5.918 675 2HE LYS 82 HE3 LYS 82 9.525 -9.590 -5.296 676 1HZ LYS 82 HZ1 LYS 82 11.795 -9.292 -4.992 677 2HZ LYS 82 HZ2 LYS 82 12.049 -10.894 -4.505 678 3HZ LYS 82 HZ3 LYS 82 11.280 -9.809 -3.457 679 H SER 83 HN SER 83 5.232 -10.049 0.265 680 HA SER 83 HA SER 83 5.066 -12.672 1.559 681 1HB SER 83 HB2 SER 83 4.501 -10.027 2.919 682 2HB SER 83 HB3 SER 83 4.110 -11.608 3.595 683 HG SER 83 HG SER 83 6.057 -11.536 4.363 684 H THR 84 HN THR 84 2.798 -13.127 2.305 685 HA THR 84 HA THR 84 0.812 -11.745 0.616 686 HB THR 84 HB THR 84 0.708 -14.720 1.129 687 HG1 THR 84 HG1 THR 84 2.638 -14.237 -0.041 688 1HG2 THR 84 HG21 THR 84 -0.755 -14.695 -0.847 689 2HG2 THR 84 HG22 THR 84 -0.553 -12.949 -0.973 690 3HG2 THR 84 HG23 THR 84 -1.376 -13.642 0.424 691 H ASN 85 HN ASN 85 -0.627 -10.806 1.918 692 HA ASN 85 HA ASN 85 -1.764 -12.212 4.171 693 1HB ASN 85 HB2 ASN 85 0.423 -10.913 4.901 694 2HB ASN 85 HB3 ASN 85 -0.653 -9.537 4.812 695 1HD2 ASN 85 HD21 ASN 85 0.652 -10.560 7.129 696 2HD2 ASN 85 HD22 ASN 85 -0.585 -11.010 8.252 697 H LYS 86 HN LYS 86 -3.653 -11.080 5.032 698 HA LYS 86 HA LYS 86 -5.057 -9.529 3.088 699 1HB LYS 86 HB2 LYS 86 -5.839 -9.554 5.980 700 2HB LYS 86 HB3 LYS 86 -6.864 -9.581 4.556 701 1HG LYS 86 HG2 LYS 86 -6.177 -11.937 4.166 702 2HG LYS 86 HG3 LYS 86 -5.283 -11.881 5.689 703 1HD LYS 86 HD2 LYS 86 -7.453 -11.157 6.770 704 2HD LYS 86 HD3 LYS 86 -8.235 -11.583 5.258 705 1HE LYS 86 HE2 LYS 86 -6.520 -13.535 6.745 706 2HE LYS 86 HE3 LYS 86 -8.226 -13.324 7.134 707 1HZ LYS 86 HZ1 LYS 86 -8.023 -15.120 5.622 708 2HZ LYS 86 HZ2 LYS 86 -7.060 -14.227 4.559 709 3HZ LYS 86 HZ3 LYS 86 -8.699 -13.831 4.755 710 H PHE 87 HN PHE 87 -6.046 -7.324 3.881 711 HA PHE 87 HA PHE 87 -4.436 -5.950 5.840 712 1HB PHE 87 HB2 PHE 87 -3.882 -4.040 4.351 713 2HB PHE 87 HB3 PHE 87 -3.046 -5.530 3.933 714 HD1 PHE 87 HD1 PHE 87 -3.371 -6.570 1.810 715 HD2 PHE 87 HD2 PHE 87 -5.726 -3.213 2.946 716 HE1 PHE 87 HE1 PHE 87 -4.190 -6.367 -0.502 717 HE2 PHE 87 HE2 PHE 87 -6.547 -3.005 0.638 718 HZ PHE 87 HZ PHE 87 -5.696 -4.560 -1.119 719 H CYS 88 HN CYS 88 -5.395 -4.117 6.686 720 HA CYS 88 HA CYS 88 -8.252 -3.921 6.034 721 1HB CYS 88 HB2 CYS 88 -7.407 -4.507 8.398 722 2HB CYS 88 HB3 CYS 88 -6.899 -2.827 8.498 723 H VAL 89 HN VAL 89 -8.969 -2.152 5.052 724 HA VAL 89 HA VAL 89 -7.230 0.226 5.046 725 HB VAL 89 HB VAL 89 -8.365 0.821 2.868 726 1HG1 VAL 89 HG11 VAL 89 -6.102 -0.049 2.918 727 2HG1 VAL 89 HG12 VAL 89 -6.715 -1.702 2.942 728 3HG1 VAL 89 HG13 VAL 89 -6.968 -0.688 1.521 729 1HG2 VAL 89 HG21 VAL 89 -10.311 -0.648 3.048 730 2HG2 VAL 89 HG22 VAL 89 -9.399 -0.999 1.579 731 3HG2 VAL 89 HG23 VAL 89 -9.261 -2.062 2.980 732 H THR 90 HN THR 90 -8.125 2.194 5.493 733 HA THR 90 HA THR 90 -10.776 2.186 6.646 734 HB THR 90 HB THR 90 -8.988 4.574 6.209 735 HG1 THR 90 HG1 THR 90 -9.091 2.809 8.456 736 1HG2 THR 90 HG21 THR 90 -10.221 5.494 8.127 737 2HG2 THR 90 HG22 THR 90 -11.204 4.031 8.186 738 3HG2 THR 90 HG23 THR 90 -11.297 5.101 6.787 739 H CYS 91 HN CYS 91 -12.401 2.194 5.206 740 HA CYS 91 HA CYS 91 -12.072 3.479 2.628 741 1HB CYS 91 HB2 CYS 91 -14.384 1.942 3.816 742 2HB CYS 91 HB3 CYS 91 -14.260 2.467 2.136 743 H GLU 92 HN GLU 92 -12.731 5.425 2.114 744 HA GLU 92 HA GLU 92 -15.040 6.602 3.440 745 1HB GLU 92 HB2 GLU 92 -13.060 7.346 4.725 746 2HB GLU 92 HB3 GLU 92 -12.392 8.024 3.258 747 1HG GLU 92 HG2 GLU 92 -14.278 9.546 3.125 748 2HG GLU 92 HG3 GLU 92 -14.934 8.870 4.607 749 H ASN 93 HN ASN 93 -16.276 7.700 2.038 750 HA ASN 93 HA ASN 93 -17.125 8.370 0.043 751 1HB ASN 93 HB2 ASN 93 -14.291 9.342 -0.344 752 2HB ASN 93 HB3 ASN 93 -15.606 9.700 -1.458 753 1HD2 ASN 93 HD21 ASN 93 -14.115 10.458 1.513 754 2HD2 ASN 93 HD22 ASN 93 -15.166 11.757 1.970 755 H GLN 94 HN GLN 94 -16.153 5.700 0.292 756 HA GLN 94 HA GLN 94 -16.162 3.839 -0.977 757 1HB GLN 94 HB2 GLN 94 -16.580 5.744 -3.276 758 2HB GLN 94 HB3 GLN 94 -16.664 3.992 -3.397 759 1HG GLN 94 HG2 GLN 94 -18.498 4.022 -1.732 760 2HG GLN 94 HG3 GLN 94 -18.458 5.783 -1.787 761 1HE2 GLN 94 HE21 GLN 94 -17.857 3.825 -4.592 762 2HE2 GLN 94 HE22 GLN 94 -19.332 4.203 -5.412 763 H ALA 95 HN ALA 95 -13.717 5.670 -0.611 764 HA ALA 95 HA ALA 95 -12.016 4.043 -2.363 765 1HB ALA 95 HB1 ALA 95 -10.590 5.957 -2.848 766 2HB ALA 95 HB2 ALA 95 -12.240 6.253 -3.396 767 3HB ALA 95 HB3 ALA 95 -11.657 7.005 -1.912 768 HA PRO 96 HA PRO 96 -9.719 3.310 1.418 769 1HB PRO 96 HB2 PRO 96 -7.502 2.784 -0.460 770 2HB PRO 96 HB3 PRO 96 -8.193 1.738 0.781 771 1HG PRO 96 HG2 PRO 96 -8.612 1.325 -1.851 772 2HG PRO 96 HG3 PRO 96 -9.820 0.927 -0.622 773 1HD PRO 96 HD2 PRO 96 -9.743 3.197 -2.531 774 2HD PRO 96 HD3 PRO 96 -11.135 2.327 -1.869 775 H VAL 97 HN VAL 97 -9.309 5.246 2.364 776 HA VAL 97 HA VAL 97 -7.390 7.033 1.045 777 HB VAL 97 HB VAL 97 -8.254 8.789 2.620 778 1HG1 VAL 97 HG11 VAL 97 -10.304 9.181 1.346 779 2HG1 VAL 97 HG12 VAL 97 -8.995 8.642 0.294 780 3HG1 VAL 97 HG13 VAL 97 -10.266 7.514 0.766 781 1HG2 VAL 97 HG21 VAL 97 -10.402 6.742 3.143 782 2HG2 VAL 97 HG22 VAL 97 -9.176 7.250 4.304 783 3HG2 VAL 97 HG23 VAL 97 -10.383 8.405 3.727 784 H HIS 98 HN HIS 98 -8.143 5.541 4.162 785 HA HIS 98 HA HIS 98 -5.424 6.234 5.059 786 1HB HIS 98 HB2 HIS 98 -7.871 5.504 6.688 787 2HB HIS 98 HB3 HIS 98 -6.266 5.697 7.359 788 HD1 HIS 98 HD1 HIS 98 -5.471 8.055 7.857 789 HD2 HIS 98 HD2 HIS 98 -9.123 7.932 5.870 790 HE1 HIS 98 HE1 HIS 98 -6.397 10.393 7.982 791 HE2 HIS 98 HE2 HIS 98 -8.687 10.239 6.945 792 H PHE 99 HN PHE 99 -4.068 4.592 5.776 793 HA PHE 99 HA PHE 99 -5.002 1.878 5.128 794 1HB PHE 99 HB2 PHE 99 -3.066 2.722 3.810 795 2HB PHE 99 HB3 PHE 99 -2.154 2.885 5.306 796 HD1 PHE 99 HD1 PHE 99 -0.912 1.101 6.118 797 HD2 PHE 99 HD2 PHE 99 -3.943 0.381 3.219 798 HE1 PHE 99 HE1 PHE 99 -0.159 -1.230 5.921 799 HE2 PHE 99 HE2 PHE 99 -3.197 -1.957 3.020 800 HZ PHE 99 HZ PHE 99 -1.319 -2.768 4.351 801 H VAL 100 HN VAL 100 -5.382 0.575 6.785 802 HA VAL 100 HA VAL 100 -4.692 1.409 9.454 803 HB VAL 100 HB VAL 100 -6.086 -1.106 8.519 804 1HG1 VAL 100 HG11 VAL 100 -5.868 0.123 11.263 805 2HG1 VAL 100 HG12 VAL 100 -6.905 -1.239 10.833 806 3HG1 VAL 100 HG13 VAL 100 -5.153 -1.398 10.723 807 1HG2 VAL 100 HG21 VAL 100 -7.219 1.517 9.494 808 2HG2 VAL 100 HG22 VAL 100 -7.341 0.863 7.860 809 3HG2 VAL 100 HG23 VAL 100 -8.156 0.053 9.197 810 H GLY 101 HN GLY 101 -4.377 -1.829 8.016 811 1HA GLY 101 HA1 GLY 101 -1.575 -1.977 8.120 812 2HA GLY 101 HA2 GLY 101 -2.219 -2.623 9.625 813 H VAL 102 HN VAL 102 -0.848 -4.381 8.237 814 HA VAL 102 HA VAL 102 -2.671 -5.752 6.425 815 HB VAL 102 HB VAL 102 -0.930 -6.977 5.596 816 1HG1 VAL 102 HG11 VAL 102 0.969 -5.487 5.221 817 2HG1 VAL 102 HG12 VAL 102 -0.575 -4.650 5.074 818 3HG1 VAL 102 HG13 VAL 102 0.400 -4.449 6.528 819 1HG2 VAL 102 HG21 VAL 102 -0.166 -8.026 7.621 820 2HG2 VAL 102 HG22 VAL 102 1.216 -7.397 6.728 821 3HG2 VAL 102 HG23 VAL 102 0.613 -6.529 8.142 822 H GLY 103 HN GLY 103 -3.113 -7.991 6.653 823 1HA GLY 103 HA1 GLY 103 -3.357 -9.962 7.936 824 2HA GLY 103 HA2 GLY 103 -2.887 -9.064 9.372 825 H SER 104 HN SER 104 -4.436 -7.296 9.982 826 HA SER 104 HA SER 104 -7.176 -7.500 9.236 827 1HB SER 104 HB2 SER 104 -7.837 -8.220 11.616 828 2HB SER 104 HB3 SER 104 -7.238 -9.469 10.529 829 HG SER 104 HG SER 104 -6.354 -9.162 12.851 830 H CYS 105 HN CYS 105 -8.524 -6.174 10.901 831 HA CYS 105 HA CYS 105 -7.012 -3.789 11.615 832 1HB CYS 105 HB2 CYS 105 -9.835 -4.399 11.092 833 2HB CYS 105 HB3 CYS 105 -9.573 -3.344 12.474 Start of MODEL 7 1 1H MET 1 H1 MET 1 -5.508 16.014 -0.500 2 2H MET 1 H2 MET 1 -5.027 14.795 -1.572 3 3H MET 1 H3 MET 1 -4.249 16.304 -1.600 4 HA MET 1 HA MET 1 -2.910 14.599 -0.514 5 1HB MET 1 HB2 MET 1 -2.373 15.864 1.499 6 2HB MET 1 HB3 MET 1 -2.666 16.958 0.157 7 1HG MET 1 HG2 MET 1 -4.893 17.435 1.013 8 2HG MET 1 HG3 MET 1 -4.629 16.310 2.345 9 1HE MET 1 HE1 MET 1 -3.555 19.775 0.758 10 2HE MET 1 HE2 MET 1 -2.194 20.196 1.795 11 3HE MET 1 HE3 MET 1 -2.086 18.799 0.722 12 H GLN 2 HN GLN 2 -2.719 12.973 0.979 13 HA GLN 2 HA GLN 2 -3.500 11.105 2.023 14 1HB GLN 2 HB2 GLN 2 -4.973 13.225 3.583 15 2HB GLN 2 HB3 GLN 2 -4.878 11.534 4.047 16 1HG GLN 2 HG2 GLN 2 -2.573 13.451 3.793 17 2HG GLN 2 HG3 GLN 2 -3.273 12.841 5.292 18 1HE2 GLN 2 HE21 GLN 2 -1.197 12.174 2.617 19 2HE2 GLN 2 HE22 GLN 2 -0.583 10.662 3.202 20 H ASP 3 HN ASP 3 -4.616 10.967 -0.165 21 HA ASP 3 HA ASP 3 -7.455 10.408 0.242 22 1HB ASP 3 HB2 ASP 3 -7.892 11.408 -2.061 23 2HB ASP 3 HB3 ASP 3 -7.581 12.560 -0.767 24 H TRP 4 HN TRP 4 -8.122 9.575 -2.277 25 HA TRP 4 HA TRP 4 -6.940 7.008 -2.384 26 1HB TRP 4 HB2 TRP 4 -9.207 7.268 -3.109 27 2HB TRP 4 HB3 TRP 4 -8.755 8.489 -4.292 28 HD1 TRP 4 HD1 TRP 4 -8.711 7.615 -6.668 29 HE1 TRP 4 HE1 TRP 4 -8.366 5.338 -7.811 30 HE3 TRP 4 HE3 TRP 4 -7.735 4.775 -2.535 31 HZ2 TRP 4 HZ2 TRP 4 -7.762 2.689 -7.060 32 HZ3 TRP 4 HZ3 TRP 4 -7.278 2.371 -2.835 33 HH2 TRP 4 HH2 TRP 4 -7.284 1.356 -5.055 34 H LEU 5 HN LEU 5 -6.428 9.961 -4.233 35 HA LEU 5 HA LEU 5 -4.760 8.848 -6.214 36 1HB LEU 5 HB2 LEU 5 -4.832 11.657 -5.104 37 2HB LEU 5 HB3 LEU 5 -3.948 11.178 -6.537 38 HG LEU 5 HG LEU 5 -5.903 12.198 -7.326 39 1HD1 LEU 5 HD11 LEU 5 -7.136 10.405 -8.444 40 2HD1 LEU 5 HD12 LEU 5 -5.392 10.145 -8.499 41 3HD1 LEU 5 HD13 LEU 5 -6.386 9.228 -7.366 42 1HD2 LEU 5 HD21 LEU 5 -8.166 11.597 -6.589 43 2HD2 LEU 5 HD22 LEU 5 -7.470 10.527 -5.373 44 3HD2 LEU 5 HD23 LEU 5 -7.189 12.267 -5.282 45 H THR 6 HN THR 6 -4.139 10.303 -3.070 46 HA THR 6 HA THR 6 -1.318 10.055 -3.107 47 HB THR 6 HB THR 6 -3.088 9.986 -0.653 48 HG1 THR 6 HG1 THR 6 -3.515 11.782 -2.196 49 1HG2 THR 6 HG21 THR 6 -0.715 9.536 -0.250 50 2HG2 THR 6 HG22 THR 6 -1.186 11.097 0.422 51 3HG2 THR 6 HG23 THR 6 -0.287 11.023 -1.093 52 H PHE 7 HN PHE 7 -3.918 7.976 -1.911 53 HA PHE 7 HA PHE 7 -2.372 5.995 -0.682 54 1HB PHE 7 HB2 PHE 7 -4.861 6.297 -0.491 55 2HB PHE 7 HB3 PHE 7 -5.018 5.608 -2.102 56 HD1 PHE 7 HD1 PHE 7 -4.511 4.921 1.419 57 HD2 PHE 7 HD2 PHE 7 -4.429 3.249 -2.495 58 HE1 PHE 7 HE1 PHE 7 -4.579 2.660 2.389 59 HE2 PHE 7 HE2 PHE 7 -4.509 0.986 -1.533 60 HZ PHE 7 HZ PHE 7 -4.600 0.702 0.945 61 H GLN 8 HN GLN 8 -3.582 6.258 -3.998 62 HA GLN 8 HA GLN 8 -2.755 3.822 -5.010 63 1HB GLN 8 HB2 GLN 8 -3.297 6.504 -6.136 64 2HB GLN 8 HB3 GLN 8 -2.411 5.373 -7.143 65 1HG GLN 8 HG2 GLN 8 -4.212 3.767 -6.984 66 2HG GLN 8 HG3 GLN 8 -5.082 4.828 -5.875 67 1HE2 GLN 8 HE21 GLN 8 -4.434 7.247 -7.280 68 2HE2 GLN 8 HE22 GLN 8 -5.376 7.251 -8.725 69 H LYS 9 HN LYS 9 -0.990 6.914 -5.245 70 HA LYS 9 HA LYS 9 1.258 5.930 -6.564 71 1HB LYS 9 HB2 LYS 9 1.145 8.213 -4.585 72 2HB LYS 9 HB3 LYS 9 2.362 7.976 -5.832 73 1HG LYS 9 HG2 LYS 9 0.836 8.455 -7.559 74 2HG LYS 9 HG3 LYS 9 -0.550 8.318 -6.472 75 1HD LYS 9 HD2 LYS 9 0.249 10.284 -5.238 76 2HD LYS 9 HD3 LYS 9 1.595 10.436 -6.371 77 1HE LYS 9 HE2 LYS 9 0.043 10.814 -8.199 78 2HE LYS 9 HE3 LYS 9 -1.327 10.573 -7.116 79 1HZ LYS 9 HZ1 LYS 9 -0.597 12.520 -5.850 80 2HZ LYS 9 HZ2 LYS 9 -0.934 12.914 -7.465 81 3HZ LYS 9 HZ3 LYS 9 0.675 12.764 -6.949 82 H LYS 10 HN LYS 10 0.373 5.816 -3.225 83 HA LYS 10 HA LYS 10 3.079 5.198 -2.341 84 1HB LYS 10 HB2 LYS 10 0.497 5.724 -0.905 85 2HB LYS 10 HB3 LYS 10 1.891 5.067 -0.063 86 1HG LYS 10 HG2 LYS 10 3.185 7.033 -0.609 87 2HG LYS 10 HG3 LYS 10 1.844 7.679 -1.559 88 1HD LYS 10 HD2 LYS 10 0.459 7.817 0.416 89 2HD LYS 10 HD3 LYS 10 1.711 7.041 1.386 90 1HE LYS 10 HE2 LYS 10 2.037 9.685 -0.023 91 2HE LYS 10 HE3 LYS 10 1.578 9.511 1.670 92 1HZ LYS 10 HZ1 LYS 10 4.160 8.934 0.380 93 2HZ LYS 10 HZ2 LYS 10 3.730 8.106 1.797 94 3HZ LYS 10 HZ3 LYS 10 3.835 9.802 1.803 95 H HIS 11 HN HIS 11 0.177 3.427 -3.132 96 HA HIS 11 HA HIS 11 1.342 1.099 -1.755 97 1HB HIS 11 HB2 HIS 11 -1.548 1.947 -1.583 98 2HB HIS 11 HB3 HIS 11 -0.913 0.419 -0.984 99 HD1 HIS 11 HD1 HIS 11 1.036 0.724 0.932 100 HD2 HIS 11 HD2 HIS 11 -1.505 3.950 0.240 101 HE1 HIS 11 HE1 HIS 11 1.230 2.197 2.965 102 HE2 HIS 11 HE2 HIS 11 -0.409 4.074 2.588 103 H ILE 12 HN ILE 12 0.207 2.206 -4.691 104 HA ILE 12 HA ILE 12 -0.744 -0.482 -5.424 105 HB ILE 12 HB ILE 12 -1.101 2.115 -6.928 106 1HG1 ILE 12 HG12 ILE 12 -2.466 2.026 -4.911 107 2HG1 ILE 12 HG13 ILE 12 -3.479 1.871 -6.338 108 1HG2 ILE 12 HG21 ILE 12 -0.972 0.269 -8.478 109 2HG2 ILE 12 HG22 ILE 12 -2.136 -0.652 -7.525 110 3HG2 ILE 12 HG23 ILE 12 -2.645 0.821 -8.354 111 1HD1 ILE 12 HD11 ILE 12 -2.600 -0.375 -4.534 112 2HD1 ILE 12 HD12 ILE 12 -4.206 0.355 -4.594 113 3HD1 ILE 12 HD13 ILE 12 -3.594 -0.549 -5.981 114 H THR 13 HN THR 13 0.774 -1.751 -6.248 115 HA THR 13 HA THR 13 2.614 -0.571 -8.216 116 HB THR 13 HB THR 13 3.869 -1.109 -6.154 117 HG1 THR 13 HG1 THR 13 5.401 -2.561 -7.254 118 1HG2 THR 13 HG21 THR 13 2.534 -2.977 -5.322 119 2HG2 THR 13 HG22 THR 13 4.223 -3.454 -5.516 120 3HG2 THR 13 HG23 THR 13 3.019 -3.955 -6.707 121 H ASN 14 HN ASN 14 3.298 -2.018 -9.904 122 HA ASN 14 HA ASN 14 1.239 -4.048 -10.464 123 1HB ASN 14 HB2 ASN 14 1.412 -1.985 -11.945 124 2HB ASN 14 HB3 ASN 14 2.965 -2.611 -12.484 125 1HD2 ASN 14 HD21 ASN 14 2.415 -2.939 -14.558 126 2HD2 ASN 14 HD22 ASN 14 1.241 -4.106 -15.083 127 H THR 15 HN THR 15 4.191 -3.917 -9.292 128 HA THR 15 HA THR 15 4.999 -6.428 -10.584 129 HB THR 15 HB THR 15 6.434 -4.582 -11.415 130 HG1 THR 15 HG1 THR 15 8.226 -5.775 -11.250 131 1HG2 THR 15 HG21 THR 15 6.366 -3.105 -9.483 132 2HG2 THR 15 HG22 THR 15 8.033 -3.509 -9.887 133 3HG2 THR 15 HG23 THR 15 7.242 -4.293 -8.519 134 H ARG 16 HN ARG 16 6.181 -7.894 -9.187 135 HA ARG 16 HA ARG 16 5.152 -7.800 -6.506 136 1HB ARG 16 HB2 ARG 16 6.790 -9.782 -8.049 137 2HB ARG 16 HB3 ARG 16 6.582 -9.959 -6.311 138 1HG ARG 16 HG2 ARG 16 4.320 -9.765 -8.285 139 2HG ARG 16 HG3 ARG 16 4.975 -11.276 -7.647 140 1HD ARG 16 HD2 ARG 16 3.948 -9.078 -5.875 141 2HD ARG 16 HD3 ARG 16 2.903 -10.349 -6.502 142 HE ARG 16 HE ARG 16 4.585 -11.905 -5.362 143 1HH1 ARG 16 HH12 ARG 16 3.900 -8.673 -4.183 144 2HH1 ARG 16 HH11 ARG 16 4.083 -9.096 -2.511 145 1HH2 ARG 16 HH22 ARG 16 4.781 -12.489 -3.154 146 2HH2 ARG 16 HH21 ARG 16 4.557 -11.278 -1.929 147 H ASP 17 HN ASP 17 8.290 -7.362 -8.022 148 HA ASP 17 HA ASP 17 9.339 -6.616 -5.403 149 1HB ASP 17 HB2 ASP 17 11.565 -6.826 -6.499 150 2HB ASP 17 HB3 ASP 17 10.678 -8.331 -6.403 151 H VAL 18 HN VAL 18 8.481 -4.592 -5.292 152 HA VAL 18 HA VAL 18 8.809 -2.673 -7.388 153 HB VAL 18 HB VAL 18 6.948 -2.259 -6.026 154 1HG1 VAL 18 HG11 VAL 18 7.186 -1.898 -3.527 155 2HG1 VAL 18 HG12 VAL 18 7.319 -3.560 -4.109 156 3HG1 VAL 18 HG13 VAL 18 8.772 -2.657 -3.676 157 1HG2 VAL 18 HG21 VAL 18 8.128 -0.211 -6.562 158 2HG2 VAL 18 HG22 VAL 18 7.359 -0.078 -4.980 159 3HG2 VAL 18 HG23 VAL 18 9.098 -0.360 -5.096 160 H ASP 19 HN ASP 19 10.382 -1.089 -7.621 161 HA ASP 19 HA ASP 19 12.849 -1.605 -6.217 162 1HB ASP 19 HB2 ASP 19 12.605 -0.936 -8.710 163 2HB ASP 19 HB3 ASP 19 12.465 0.714 -8.098 164 H CYS 20 HN CYS 20 11.686 -1.088 -4.192 165 HA CYS 20 HA CYS 20 10.814 1.360 -3.320 166 1HB CYS 20 HB2 CYS 20 12.522 -0.433 -1.652 167 2HB CYS 20 HB3 CYS 20 11.153 0.509 -1.158 168 H ASP 21 HN ASP 21 14.081 0.070 -3.285 169 HA ASP 21 HA ASP 21 15.469 1.937 -1.871 170 1HB ASP 21 HB2 ASP 21 16.256 -0.207 -3.141 171 2HB ASP 21 HB3 ASP 21 16.640 0.919 -4.439 172 H ASN 22 HN ASN 22 14.321 2.239 -5.170 173 HA ASN 22 HA ASN 22 15.501 4.910 -5.403 174 1HB ASN 22 HB2 ASN 22 15.658 3.177 -7.253 175 2HB ASN 22 HB3 ASN 22 13.927 3.378 -7.473 176 1HD2 ASN 22 HD21 ASN 22 17.031 4.736 -7.881 177 2HD2 ASN 22 HD22 ASN 22 16.568 6.063 -8.897 178 H ILE 23 HN ILE 23 12.391 3.256 -5.666 179 HA ILE 23 HA ILE 23 10.862 5.511 -6.309 180 HB ILE 23 HB ILE 23 10.083 2.866 -5.092 181 1HG1 ILE 23 HG12 ILE 23 9.818 4.030 -7.873 182 2HG1 ILE 23 HG13 ILE 23 10.987 2.816 -7.369 183 1HG2 ILE 23 HG21 ILE 23 7.759 3.382 -5.600 184 2HG2 ILE 23 HG22 ILE 23 8.412 4.550 -4.449 185 3HG2 ILE 23 HG23 ILE 23 8.222 4.996 -6.145 186 1HD1 ILE 23 HD11 ILE 23 9.141 1.830 -8.602 187 2HD1 ILE 23 HD12 ILE 23 9.182 1.246 -6.938 188 3HD1 ILE 23 HD13 ILE 23 8.000 2.464 -7.415 189 H LEU 24 HN LEU 24 11.865 4.279 -3.146 190 HA LEU 24 HA LEU 24 9.924 5.965 -1.796 191 1HB LEU 24 HB2 LEU 24 12.193 4.659 -0.361 192 2HB LEU 24 HB3 LEU 24 10.589 5.033 0.225 193 HG LEU 24 HG LEU 24 11.413 2.759 -1.557 194 1HD1 LEU 24 HD11 LEU 24 11.780 2.451 0.826 195 2HD1 LEU 24 HD12 LEU 24 10.089 2.843 1.144 196 3HD1 LEU 24 HD13 LEU 24 10.502 1.393 0.229 197 1HD2 LEU 24 HD21 LEU 24 9.278 3.730 -2.338 198 2HD2 LEU 24 HD22 LEU 24 9.156 2.074 -1.725 199 3HD2 LEU 24 HD23 LEU 24 8.609 3.431 -0.730 200 H SER 25 HN SER 25 12.944 6.424 -3.163 201 HA SER 25 HA SER 25 13.987 8.261 -1.195 202 1HB SER 25 HB2 SER 25 15.443 6.845 -2.661 203 2HB SER 25 HB3 SER 25 14.912 7.797 -4.044 204 HG SER 25 HG SER 25 16.057 9.482 -3.369 205 H THR 26 HN THR 26 11.572 8.455 -3.419 206 HA THR 26 HA THR 26 12.042 11.091 -4.463 207 HB THR 26 HB THR 26 9.740 10.873 -5.363 208 HG1 THR 26 HG1 THR 26 9.536 8.208 -4.606 209 1HG2 THR 26 HG21 THR 26 11.603 9.988 -6.661 210 2HG2 THR 26 HG22 THR 26 10.187 8.953 -6.846 211 3HG2 THR 26 HG23 THR 26 11.506 8.460 -5.787 212 H ASN 27 HN ASN 27 10.227 12.753 -4.218 213 HA ASN 27 HA ASN 27 9.850 13.343 -1.418 214 1HB ASN 27 HB2 ASN 27 10.313 15.003 -3.324 215 2HB ASN 27 HB3 ASN 27 8.612 14.833 -3.730 216 1HD2 ASN 27 HD21 ASN 27 10.903 16.020 -1.408 217 2HD2 ASN 27 HD22 ASN 27 9.794 17.015 -0.518 218 H LEU 28 HN LEU 28 8.573 11.012 -2.627 219 HA LEU 28 HA LEU 28 5.733 11.611 -2.185 220 1HB LEU 28 HB2 LEU 28 6.236 10.771 -4.428 221 2HB LEU 28 HB3 LEU 28 7.046 9.376 -3.742 222 HG LEU 28 HG LEU 28 4.920 8.566 -2.837 223 1HD1 LEU 28 HD11 LEU 28 2.837 9.653 -3.329 224 2HD1 LEU 28 HD12 LEU 28 3.904 10.799 -2.516 225 3HD1 LEU 28 HD13 LEU 28 3.664 10.906 -4.260 226 1HD2 LEU 28 HD21 LEU 28 3.843 8.022 -4.971 227 2HD2 LEU 28 HD22 LEU 28 4.809 9.263 -5.770 228 3HD2 LEU 28 HD23 LEU 28 5.596 7.854 -5.061 229 H PHE 29 HN PHE 29 8.492 10.029 -1.033 230 HA PHE 29 HA PHE 29 6.912 8.642 1.010 231 1HB PHE 29 HB2 PHE 29 9.267 7.461 -0.489 232 2HB PHE 29 HB3 PHE 29 8.520 6.740 0.933 233 HD1 PHE 29 HD1 PHE 29 8.325 7.208 -2.638 234 HD2 PHE 29 HD2 PHE 29 6.199 5.894 0.800 235 HE1 PHE 29 HE1 PHE 29 6.725 6.029 -4.086 236 HE2 PHE 29 HE2 PHE 29 4.594 4.711 -0.641 237 HZ PHE 29 HZ PHE 29 4.856 4.779 -3.085 238 H HIS 30 HN HIS 30 9.791 10.209 -0.086 239 HA HIS 30 HA HIS 30 11.320 11.500 0.944 240 1HB HIS 30 HB2 HIS 30 9.561 11.418 3.396 241 2HB HIS 30 HB3 HIS 30 10.738 12.630 2.941 242 HD1 HIS 30 HD1 HIS 30 7.208 11.696 2.514 243 HD2 HIS 30 HD2 HIS 30 9.897 14.434 0.910 244 HE1 HIS 30 HE1 HIS 30 5.804 13.395 1.306 245 HE2 HIS 30 HE2 HIS 30 7.436 15.153 0.538 246 H CYS 31 HN CYS 31 11.379 8.571 1.179 247 HA CYS 31 HA CYS 31 12.540 6.903 2.149 248 1HB CYS 31 HB2 CYS 31 14.206 9.154 3.296 249 2HB CYS 31 HB3 CYS 31 14.692 7.468 3.181 250 H LYS 32 HN LYS 32 10.291 7.157 3.513 251 HA LYS 32 HA LYS 32 10.755 7.366 6.327 252 1HB LYS 32 HB2 LYS 32 8.514 6.730 6.620 253 2HB LYS 32 HB3 LYS 32 8.528 7.683 5.150 254 1HG LYS 32 HG2 LYS 32 8.580 4.678 5.140 255 2HG LYS 32 HG3 LYS 32 7.094 5.613 5.159 256 1HD LYS 32 HD2 LYS 32 7.270 5.331 2.922 257 2HD LYS 32 HD3 LYS 32 8.277 6.771 3.067 258 1HE LYS 32 HE2 LYS 32 9.245 4.922 1.670 259 2HE LYS 32 HE3 LYS 32 10.273 5.483 2.988 260 1HZ LYS 32 HZ1 LYS 32 10.062 2.995 2.675 261 2HZ LYS 32 HZ2 LYS 32 8.494 3.140 3.298 262 3HZ LYS 32 HZ3 LYS 32 9.827 3.586 4.242 263 H ASP 33 HN ASP 33 10.236 5.430 7.780 264 HA ASP 33 HA ASP 33 12.290 3.568 7.548 265 1HB ASP 33 HB2 ASP 33 9.712 3.400 9.116 266 2HB ASP 33 HB3 ASP 33 11.017 2.231 9.272 267 H LYS 34 HN LYS 34 8.799 2.924 7.047 268 HA LYS 34 HA LYS 34 9.585 0.882 5.114 269 1HB LYS 34 HB2 LYS 34 7.928 -0.729 6.140 270 2HB LYS 34 HB3 LYS 34 9.435 -0.495 7.005 271 1HG LYS 34 HG2 LYS 34 7.804 -0.541 8.660 272 2HG LYS 34 HG3 LYS 34 8.157 1.172 8.445 273 1HD LYS 34 HD2 LYS 34 6.164 1.444 7.094 274 2HD LYS 34 HD3 LYS 34 5.835 -0.288 7.187 275 1HE LYS 34 HE2 LYS 34 5.554 -0.115 9.596 276 2HE LYS 34 HE3 LYS 34 5.931 1.605 9.530 277 1HZ LYS 34 HZ1 LYS 34 3.614 0.300 8.208 278 2HZ LYS 34 HZ2 LYS 34 3.965 1.962 8.192 279 3HZ LYS 34 HZ3 LYS 34 3.545 1.196 9.647 280 H ASN 35 HN ASN 35 7.732 -0.015 3.897 281 HA ASN 35 HA ASN 35 5.269 1.459 3.830 282 1HB ASN 35 HB2 ASN 35 6.916 2.992 2.628 283 2HB ASN 35 HB3 ASN 35 7.069 1.735 1.413 284 1HD2 ASN 35 HD21 ASN 35 5.353 1.307 0.052 285 2HD2 ASN 35 HD22 ASN 35 4.028 2.405 -0.147 286 H THR 36 HN THR 36 3.856 -0.116 3.394 287 HA THR 36 HA THR 36 4.734 -2.433 1.867 288 HB THR 36 HB THR 36 2.129 -1.993 3.345 289 HG1 THR 36 HG1 THR 36 4.638 -2.592 4.223 290 1HG2 THR 36 HG21 THR 36 1.888 -3.675 1.621 291 2HG2 THR 36 HG22 THR 36 1.960 -4.467 3.196 292 3HG2 THR 36 HG23 THR 36 3.375 -4.467 2.144 293 H PHE 37 HN PHE 37 4.454 -2.455 -0.251 294 HA PHE 37 HA PHE 37 2.276 -0.939 -1.483 295 1HB PHE 37 HB2 PHE 37 4.541 -2.525 -2.723 296 2HB PHE 37 HB3 PHE 37 3.343 -1.609 -3.626 297 HD1 PHE 37 HD1 PHE 37 6.108 -1.302 -1.192 298 HD2 PHE 37 HD2 PHE 37 3.637 0.698 -4.023 299 HE1 PHE 37 HE1 PHE 37 7.568 0.673 -1.073 300 HE2 PHE 37 HE2 PHE 37 5.096 2.668 -3.909 301 HZ PHE 37 HZ PHE 37 7.066 2.651 -2.438 302 H ILE 38 HN ILE 38 0.824 -1.955 -2.950 303 HA ILE 38 HA ILE 38 0.301 -4.774 -2.285 304 HB ILE 38 HB ILE 38 -1.646 -2.683 -3.277 305 1HG1 ILE 38 HG12 ILE 38 -1.513 -3.858 -0.501 306 2HG1 ILE 38 HG13 ILE 38 -0.681 -2.366 -0.923 307 1HG2 ILE 38 HG21 ILE 38 -2.109 -5.470 -2.213 308 2HG2 ILE 38 HG22 ILE 38 -3.364 -4.325 -2.694 309 3HG2 ILE 38 HG23 ILE 38 -2.247 -4.972 -3.898 310 1HD1 ILE 38 HD11 ILE 38 -2.795 -1.332 -1.504 311 2HD1 ILE 38 HD12 ILE 38 -3.644 -2.835 -1.141 312 3HD1 ILE 38 HD13 ILE 38 -2.831 -1.948 0.148 313 H TYR 39 HN TYR 39 0.754 -6.143 -3.888 314 HA TYR 39 HA TYR 39 0.985 -5.227 -6.613 315 1HB TYR 39 HB2 TYR 39 2.550 -6.910 -5.867 316 2HB TYR 39 HB3 TYR 39 1.238 -7.976 -5.385 317 HD1 TYR 39 HD1 TYR 39 2.593 -6.250 -8.409 318 HD2 TYR 39 HD2 TYR 39 0.549 -9.639 -6.849 319 HE1 TYR 39 HE1 TYR 39 2.632 -7.291 -10.637 320 HE2 TYR 39 HE2 TYR 39 0.579 -10.685 -9.072 321 HH TYR 39 HH TYR 39 2.501 -9.543 -11.625 322 H SER 40 HN SER 40 -0.998 -4.531 -7.130 323 HA SER 40 HA SER 40 -2.787 -6.366 -8.276 324 1HB SER 40 HB2 SER 40 -3.425 -6.652 -5.841 325 2HB SER 40 HB3 SER 40 -3.853 -4.948 -5.810 326 HG SER 40 HG SER 40 -5.415 -6.895 -6.464 327 H ARG 41 HN ARG 41 -4.857 -4.991 -8.929 328 HA ARG 41 HA ARG 41 -3.792 -2.447 -9.850 329 1HB ARG 41 HB2 ARG 41 -6.186 -4.060 -10.669 330 2HB ARG 41 HB3 ARG 41 -6.010 -2.387 -11.154 331 1HG ARG 41 HG2 ARG 41 -4.093 -4.625 -11.780 332 2HG ARG 41 HG3 ARG 41 -5.215 -3.851 -12.905 333 1HD ARG 41 HD2 ARG 41 -4.078 -1.694 -12.468 334 2HD ARG 41 HD3 ARG 41 -2.907 -2.550 -11.472 335 HE ARG 41 HE ARG 41 -2.484 -3.846 -13.671 336 1HH1 ARG 41 HH12 ARG 41 -3.449 -0.495 -13.456 337 2HH1 ARG 41 HH11 ARG 41 -2.488 0.021 -14.808 338 1HH2 ARG 41 HH22 ARG 41 -1.217 -3.182 -15.490 339 2HH2 ARG 41 HH21 ARG 41 -1.237 -1.509 -15.972 340 HA PRO 42 HA PRO 42 -5.855 0.102 -6.986 341 1HB PRO 42 HB2 PRO 42 -6.751 2.138 -8.583 342 2HB PRO 42 HB3 PRO 42 -5.065 1.951 -8.092 343 1HG PRO 42 HG2 PRO 42 -6.393 1.164 -10.651 344 2HG PRO 42 HG3 PRO 42 -4.818 1.930 -10.403 345 1HD PRO 42 HD2 PRO 42 -5.055 -0.706 -10.916 346 2HD PRO 42 HD3 PRO 42 -3.796 -0.066 -9.832 347 H GLU 43 HN GLU 43 -7.589 -1.072 -9.746 348 HA GLU 43 HA GLU 43 -10.134 -0.021 -9.044 349 1HB GLU 43 HB2 GLU 43 -9.329 -2.247 -10.919 350 2HB GLU 43 HB3 GLU 43 -10.930 -1.545 -10.826 351 1HG GLU 43 HG2 GLU 43 -10.244 0.473 -11.740 352 2HG GLU 43 HG3 GLU 43 -8.550 0.177 -11.350 353 HA PRO 44 HA PRO 44 -11.046 -4.541 -7.469 354 1HB PRO 44 HB2 PRO 44 -8.825 -6.072 -6.965 355 2HB PRO 44 HB3 PRO 44 -9.772 -6.165 -8.450 356 1HG PRO 44 HG2 PRO 44 -7.220 -4.701 -7.912 357 2HG PRO 44 HG3 PRO 44 -7.688 -5.652 -9.336 358 1HD PRO 44 HD2 PRO 44 -7.787 -2.968 -9.351 359 2HD PRO 44 HD3 PRO 44 -8.993 -3.944 -10.193 360 H VAL 45 HN VAL 45 -8.349 -2.599 -6.461 361 HA VAL 45 HA VAL 45 -8.563 -3.453 -3.691 362 HB VAL 45 HB VAL 45 -6.821 -1.335 -4.972 363 1HG1 VAL 45 HG11 VAL 45 -6.827 -2.350 -2.132 364 2HG1 VAL 45 HG12 VAL 45 -5.615 -1.278 -2.833 365 3HG1 VAL 45 HG13 VAL 45 -7.282 -0.729 -2.662 366 1HG2 VAL 45 HG21 VAL 45 -5.006 -2.921 -4.547 367 2HG2 VAL 45 HG22 VAL 45 -6.169 -4.077 -3.899 368 3HG2 VAL 45 HG23 VAL 45 -6.237 -3.617 -5.602 369 H LYS 46 HN LYS 46 -9.453 -0.713 -5.716 370 HA LYS 46 HA LYS 46 -10.501 0.864 -3.579 371 1HB LYS 46 HB2 LYS 46 -9.857 1.742 -5.854 372 2HB LYS 46 HB3 LYS 46 -11.281 0.950 -6.503 373 1HG LYS 46 HG2 LYS 46 -12.715 2.328 -5.122 374 2HG LYS 46 HG3 LYS 46 -11.307 3.092 -4.385 375 1HD LYS 46 HD2 LYS 46 -10.635 3.903 -6.625 376 2HD LYS 46 HD3 LYS 46 -12.134 3.236 -7.278 377 1HE LYS 46 HE2 LYS 46 -11.906 5.358 -5.150 378 2HE LYS 46 HE3 LYS 46 -12.350 5.622 -6.833 379 1HZ LYS 46 HZ1 LYS 46 -14.324 5.565 -5.522 380 2HZ LYS 46 HZ2 LYS 46 -13.881 4.097 -4.803 381 3HZ LYS 46 HZ3 LYS 46 -14.281 4.143 -6.450 382 H ALA 47 HN ALA 47 -11.651 -1.725 -5.574 383 HA ALA 47 HA ALA 47 -14.412 -1.525 -5.083 384 1HB ALA 47 HB1 ALA 47 -12.781 -3.998 -5.659 385 2HB ALA 47 HB2 ALA 47 -14.533 -3.850 -5.808 386 3HB ALA 47 HB3 ALA 47 -13.476 -2.916 -6.868 387 H ILE 48 HN ILE 48 -11.796 -2.636 -3.100 388 HA ILE 48 HA ILE 48 -13.207 -4.237 -1.273 389 HB ILE 48 HB ILE 48 -10.856 -2.419 -0.668 390 1HG1 ILE 48 HG12 ILE 48 -10.862 -5.349 -1.442 391 2HG1 ILE 48 HG13 ILE 48 -10.477 -4.039 -2.553 392 1HG2 ILE 48 HG21 ILE 48 -11.982 -3.197 1.341 393 2HG2 ILE 48 HG22 ILE 48 -11.903 -4.861 0.763 394 3HG2 ILE 48 HG23 ILE 48 -10.419 -3.997 1.165 395 1HD1 ILE 48 HD11 ILE 48 -8.571 -3.426 -1.167 396 2HD1 ILE 48 HD12 ILE 48 -8.966 -4.733 -0.051 397 3HD1 ILE 48 HD13 ILE 48 -8.475 -5.103 -1.702 398 H CYS 49 HN CYS 49 -12.968 -0.788 -1.724 399 HA CYS 49 HA CYS 49 -14.457 -0.302 0.744 400 1HB CYS 49 HB2 CYS 49 -13.091 1.593 -1.171 401 2HB CYS 49 HB3 CYS 49 -13.892 2.065 0.324 402 H LYS 50 HN LYS 50 -15.454 -1.336 -2.026 403 HA LYS 50 HA LYS 50 -17.257 0.561 -3.047 404 1HB LYS 50 HB2 LYS 50 -16.679 -1.537 -4.202 405 2HB LYS 50 HB3 LYS 50 -17.538 -2.451 -2.972 406 1HG LYS 50 HG2 LYS 50 -19.624 -1.265 -3.635 407 2HG LYS 50 HG3 LYS 50 -18.721 -0.522 -4.958 408 1HD LYS 50 HD2 LYS 50 -19.024 -3.493 -4.540 409 2HD LYS 50 HD3 LYS 50 -20.012 -2.532 -5.640 410 1HE LYS 50 HE2 LYS 50 -18.067 -1.958 -6.952 411 2HE LYS 50 HE3 LYS 50 -17.009 -2.765 -5.793 412 1HZ LYS 50 HZ1 LYS 50 -17.550 -4.063 -7.853 413 2HZ LYS 50 HZ2 LYS 50 -19.143 -4.188 -7.286 414 3HZ LYS 50 HZ3 LYS 50 -17.870 -4.866 -6.391 415 H GLY 51 HN GLY 51 -18.983 1.452 -2.201 416 1HA GLY 51 HA1 GLY 51 -21.024 1.598 -1.124 417 2HA GLY 51 HA2 GLY 51 -20.823 -0.065 -0.600 418 H ILE 52 HN ILE 52 -18.166 1.989 0.080 419 HA ILE 52 HA ILE 52 -19.088 2.248 2.870 420 HB ILE 52 HB ILE 52 -16.203 2.117 2.020 421 1HG1 ILE 52 HG12 ILE 52 -17.349 0.042 1.316 422 2HG1 ILE 52 HG13 ILE 52 -16.190 -0.242 2.600 423 1HG2 ILE 52 HG21 ILE 52 -16.648 3.084 4.206 424 2HG2 ILE 52 HG22 ILE 52 -17.580 1.658 4.663 425 3HG2 ILE 52 HG23 ILE 52 -15.847 1.521 4.371 426 1HD1 ILE 52 HD11 ILE 52 -18.015 -0.323 4.225 427 2HD1 ILE 52 HD12 ILE 52 -19.170 -0.043 2.921 428 3HD1 ILE 52 HD13 ILE 52 -18.214 -1.525 2.950 429 H ILE 53 HN ILE 53 -19.826 4.333 2.878 430 HA ILE 53 HA ILE 53 -18.376 6.379 1.418 431 HB ILE 53 HB ILE 53 -20.930 6.559 3.002 432 1HG1 ILE 53 HG12 ILE 53 -21.381 5.159 1.177 433 2HG1 ILE 53 HG13 ILE 53 -21.903 6.746 0.655 434 1HG2 ILE 53 HG21 ILE 53 -19.835 8.706 2.855 435 2HG2 ILE 53 HG22 ILE 53 -19.676 8.523 1.107 436 3HG2 ILE 53 HG23 ILE 53 -21.273 8.676 1.833 437 1HD1 ILE 53 HD11 ILE 53 -19.372 5.334 -0.113 438 2HD1 ILE 53 HD12 ILE 53 -20.758 5.683 -1.148 439 3HD1 ILE 53 HD13 ILE 53 -19.757 7.004 -0.542 440 H ALA 54 HN ALA 54 -19.549 5.928 4.750 441 HA ALA 54 HA ALA 54 -17.990 8.090 5.781 442 1HB ALA 54 HB1 ALA 54 -19.262 5.787 7.262 443 2HB ALA 54 HB2 ALA 54 -18.675 7.290 7.974 444 3HB ALA 54 HB3 ALA 54 -20.052 7.315 6.871 445 H SER 55 HN SER 55 -16.046 8.067 6.826 446 HA SER 55 HA SER 55 -14.057 6.331 6.053 447 1HB SER 55 HB2 SER 55 -13.775 8.605 7.096 448 2HB SER 55 HB3 SER 55 -14.083 7.860 8.665 449 HG SER 55 HG SER 55 -11.887 7.578 6.945 450 H LYS 56 HN LYS 56 -14.085 4.213 6.317 451 HA LYS 56 HA LYS 56 -14.556 3.103 8.999 452 1HB LYS 56 HB2 LYS 56 -16.604 2.917 7.589 453 2HB LYS 56 HB3 LYS 56 -15.679 1.992 6.419 454 1HG LYS 56 HG2 LYS 56 -15.286 0.271 8.148 455 2HG LYS 56 HG3 LYS 56 -16.319 1.191 9.247 456 1HD LYS 56 HD2 LYS 56 -18.135 1.022 7.517 457 2HD LYS 56 HD3 LYS 56 -17.095 -0.096 6.636 458 1HE LYS 56 HE2 LYS 56 -18.654 -1.362 7.954 459 2HE LYS 56 HE3 LYS 56 -17.041 -1.554 8.637 460 1HZ LYS 56 HZ1 LYS 56 -19.087 0.343 9.657 461 2HZ LYS 56 HZ2 LYS 56 -17.573 0.012 10.353 462 3HZ LYS 56 HZ3 LYS 56 -18.771 -1.184 10.323 463 H ASN 57 HN ASN 57 -12.941 1.814 9.597 464 HA ASN 57 HA ASN 57 -10.920 1.011 7.716 465 1HB ASN 57 HB2 ASN 57 -11.282 0.460 10.668 466 2HB ASN 57 HB3 ASN 57 -9.919 -0.146 9.733 467 1HD2 ASN 57 HD21 ASN 57 -9.915 1.685 12.001 468 2HD2 ASN 57 HD22 ASN 57 -9.161 3.137 11.433 469 H VAL 58 HN VAL 58 -11.329 -0.619 6.350 470 HA VAL 58 HA VAL 58 -12.849 -2.913 7.405 471 HB VAL 58 HB VAL 58 -13.721 -3.359 5.262 472 1HG1 VAL 58 HG11 VAL 58 -14.873 -1.584 6.414 473 2HG1 VAL 58 HG12 VAL 58 -13.798 -0.386 5.695 474 3HG1 VAL 58 HG13 VAL 58 -14.910 -1.298 4.675 475 1HG2 VAL 58 HG21 VAL 58 -11.741 -3.002 3.920 476 2HG2 VAL 58 HG22 VAL 58 -13.116 -2.136 3.232 477 3HG2 VAL 58 HG23 VAL 58 -11.885 -1.258 4.141 478 H LEU 59 HN LEU 59 -11.977 -4.872 7.356 479 HA LEU 59 HA LEU 59 -9.227 -5.130 6.407 480 1HB LEU 59 HB2 LEU 59 -9.876 -5.628 8.787 481 2HB LEU 59 HB3 LEU 59 -10.849 -6.954 8.196 482 HG LEU 59 HG LEU 59 -8.385 -7.264 9.160 483 1HD1 LEU 59 HD11 LEU 59 -9.565 -8.824 6.886 484 2HD1 LEU 59 HD12 LEU 59 -8.280 -9.384 7.958 485 3HD1 LEU 59 HD13 LEU 59 -9.886 -9.056 8.604 486 1HD2 LEU 59 HD21 LEU 59 -7.342 -5.880 7.425 487 2HD2 LEU 59 HD22 LEU 59 -6.762 -7.550 7.404 488 3HD2 LEU 59 HD23 LEU 59 -7.932 -7.010 6.200 489 H THR 60 HN THR 60 -8.660 -6.582 4.835 490 HA THR 60 HA THR 60 -10.685 -7.327 2.996 491 HB THR 60 HB THR 60 -8.841 -8.482 1.768 492 HG1 THR 60 HG1 THR 60 -7.093 -8.944 2.832 493 1HG2 THR 60 HG21 THR 60 -8.237 -5.663 2.661 494 2HG2 THR 60 HG22 THR 60 -9.354 -6.117 1.371 495 3HG2 THR 60 HG23 THR 60 -7.628 -6.441 1.199 496 H THR 61 HN THR 61 -11.190 -9.414 2.232 497 HA THR 61 HA THR 61 -11.455 -11.303 4.424 498 HB THR 61 HB THR 61 -12.978 -12.454 2.722 499 HG1 THR 61 HG1 THR 61 -13.010 -11.605 0.784 500 1HG2 THR 61 HG21 THR 61 -13.615 -9.624 3.568 501 2HG2 THR 61 HG22 THR 61 -13.800 -11.061 4.574 502 3HG2 THR 61 HG23 THR 61 -14.793 -10.861 3.130 503 H SER 62 HN SER 62 -9.664 -10.846 1.548 504 HA SER 62 HA SER 62 -8.533 -13.548 1.834 505 1HB SER 62 HB2 SER 62 -8.905 -12.033 -0.764 506 2HB SER 62 HB3 SER 62 -8.197 -13.639 -0.588 507 HG SER 62 HG SER 62 -10.812 -13.055 0.320 508 H GLU 63 HN GLU 63 -6.281 -13.713 1.129 509 HA GLU 63 HA GLU 63 -4.767 -11.418 1.998 510 1HB GLU 63 HB2 GLU 63 -3.578 -13.949 0.869 511 2HB GLU 63 HB3 GLU 63 -2.852 -12.806 1.980 512 1HG GLU 63 HG2 GLU 63 -3.335 -14.623 3.321 513 2HG GLU 63 HG3 GLU 63 -4.682 -13.527 3.626 514 H PHE 64 HN PHE 64 -3.519 -10.110 0.784 515 HA PHE 64 HA PHE 64 -3.613 -10.518 -2.130 516 1HB PHE 64 HB2 PHE 64 -3.500 -8.011 -0.473 517 2HB PHE 64 HB3 PHE 64 -3.110 -8.011 -2.186 518 HD1 PHE 64 HD1 PHE 64 -4.819 -8.008 -3.821 519 HD2 PHE 64 HD2 PHE 64 -5.787 -8.677 0.267 520 HE1 PHE 64 HE1 PHE 64 -7.209 -7.774 -4.352 521 HE2 PHE 64 HE2 PHE 64 -8.179 -8.446 -0.258 522 HZ PHE 64 HZ PHE 64 -8.885 -7.977 -2.590 523 H TYR 65 HN TYR 65 -1.683 -9.519 -3.251 524 HA TYR 65 HA TYR 65 0.641 -10.693 -1.958 525 1HB TYR 65 HB2 TYR 65 0.243 -9.677 -4.781 526 2HB TYR 65 HB3 TYR 65 1.702 -10.472 -4.185 527 HD1 TYR 65 HD1 TYR 65 -1.724 -10.938 -5.303 528 HD2 TYR 65 HD2 TYR 65 1.638 -12.854 -3.540 529 HE1 TYR 65 HE1 TYR 65 -2.732 -13.134 -5.775 530 HE2 TYR 65 HE2 TYR 65 0.643 -15.052 -4.011 531 HH TYR 65 HH TYR 65 -1.971 -15.479 -6.103 532 H LEU 66 HN LEU 66 1.647 -9.409 -0.611 533 HA LEU 66 HA LEU 66 1.702 -6.534 -1.177 534 1HB LEU 66 HB2 LEU 66 2.259 -7.964 1.416 535 2HB LEU 66 HB3 LEU 66 2.065 -6.234 1.189 536 HG LEU 66 HG LEU 66 -0.099 -8.291 0.774 537 1HD1 LEU 66 HD11 LEU 66 0.456 -8.123 3.108 538 2HD1 LEU 66 HD12 LEU 66 0.388 -6.361 3.031 539 3HD1 LEU 66 HD13 LEU 66 -1.082 -7.312 2.811 540 1HD2 LEU 66 HD21 LEU 66 -0.383 -6.346 -0.656 541 2HD2 LEU 66 HD22 LEU 66 -1.593 -6.358 0.625 542 3HD2 LEU 66 HD23 LEU 66 -0.202 -5.278 0.737 543 H SER 67 HN SER 67 3.591 -5.374 -1.089 544 HA SER 67 HA SER 67 6.082 -6.883 -0.676 545 1HB SER 67 HB2 SER 67 5.681 -4.666 -2.703 546 2HB SER 67 HB3 SER 67 7.121 -5.665 -2.492 547 HG SER 67 HG SER 67 6.206 -6.856 -3.969 548 H ASP 68 HN ASP 68 6.903 -6.115 1.167 549 HA ASP 68 HA ASP 68 6.340 -3.325 1.866 550 1HB ASP 68 HB2 ASP 68 5.680 -4.998 3.537 551 2HB ASP 68 HB3 ASP 68 7.346 -5.576 3.615 552 H CYS 69 HN CYS 69 7.873 -1.851 1.941 553 HA CYS 69 HA CYS 69 10.645 -2.747 1.549 554 1HB CYS 69 HB2 CYS 69 9.623 0.044 1.118 555 2HB CYS 69 HB3 CYS 69 11.047 -0.726 0.423 556 H ASN 70 HN ASN 70 11.880 -2.633 3.283 557 HA ASN 70 HA ASN 70 11.335 -0.544 5.285 558 1HB ASN 70 HB2 ASN 70 12.179 -2.352 6.957 559 2HB ASN 70 HB3 ASN 70 10.512 -2.414 6.396 560 1HD2 ASN 70 HD21 ASN 70 9.838 -4.082 5.103 561 2HD2 ASN 70 HD22 ASN 70 10.820 -5.477 4.789 562 H VAL 71 HN VAL 71 12.966 0.531 6.027 563 HA VAL 71 HA VAL 71 15.433 0.618 4.754 564 HB VAL 71 HB VAL 71 14.579 1.609 7.471 565 1HG1 VAL 71 HG11 VAL 71 17.053 2.371 5.912 566 2HG1 VAL 71 HG12 VAL 71 16.530 3.067 7.446 567 3HG1 VAL 71 HG13 VAL 71 17.035 1.378 7.371 568 1HG2 VAL 71 HG21 VAL 71 14.447 3.783 6.334 569 2HG2 VAL 71 HG22 VAL 71 14.865 2.994 4.813 570 3HG2 VAL 71 HG23 VAL 71 13.357 2.588 5.629 571 H THR 72 HN THR 72 17.362 -0.301 5.096 572 HA THR 72 HA THR 72 17.414 -2.618 6.860 573 HB THR 72 HB THR 72 19.620 -3.057 5.627 574 HG1 THR 72 HG1 THR 72 18.535 -0.939 4.043 575 1HG2 THR 72 HG21 THR 72 17.061 -2.969 4.036 576 2HG2 THR 72 HG22 THR 72 17.547 -4.257 5.139 577 3HG2 THR 72 HG23 THR 72 18.475 -3.955 3.670 578 H SER 73 HN SER 73 20.370 -1.134 5.947 579 HA SER 73 HA SER 73 20.945 -0.530 8.762 580 1HB SER 73 HB2 SER 73 23.359 -0.619 7.911 581 2HB SER 73 HB3 SER 73 22.475 -2.148 7.910 582 HG SER 73 HG SER 73 22.598 -2.215 5.810 583 H ARG 74 HN ARG 74 21.844 0.629 5.533 584 HA ARG 74 HA ARG 74 22.458 3.257 6.401 585 1HB ARG 74 HB2 ARG 74 22.090 1.954 3.734 586 2HB ARG 74 HB3 ARG 74 22.194 3.704 3.839 587 1HG ARG 74 HG2 ARG 74 24.369 3.491 4.947 588 2HG ARG 74 HG3 ARG 74 24.267 1.739 4.771 589 1HD ARG 74 HD2 ARG 74 25.623 2.756 2.994 590 2HD ARG 74 HD3 ARG 74 24.181 1.970 2.349 591 HE ARG 74 HE ARG 74 23.908 4.803 2.898 592 1HH1 ARG 74 HH12 ARG 74 24.676 2.355 0.502 593 2HH1 ARG 74 HH11 ARG 74 24.391 3.419 -0.849 594 1HH2 ARG 74 HH22 ARG 74 23.500 6.166 1.151 595 2HH2 ARG 74 HH21 ARG 74 23.680 5.590 -0.476 596 HA PRO 75 HA PRO 75 18.482 5.125 6.376 597 1HB PRO 75 HB2 PRO 75 19.171 7.683 5.713 598 2HB PRO 75 HB3 PRO 75 19.414 6.991 7.319 599 1HG PRO 75 HG2 PRO 75 21.379 7.446 5.134 600 2HG PRO 75 HG3 PRO 75 21.602 7.544 6.888 601 1HD PRO 75 HD2 PRO 75 22.408 5.426 5.323 602 2HD PRO 75 HD3 PRO 75 22.087 5.319 7.062 603 H CYS 76 HN CYS 76 16.919 5.135 4.938 604 HA CYS 76 HA CYS 76 15.770 5.149 2.995 605 1HB CYS 76 HB2 CYS 76 16.709 7.479 2.850 606 2HB CYS 76 HB3 CYS 76 18.010 6.833 1.857 607 H LYS 77 HN LYS 77 18.126 3.249 3.537 608 HA LYS 77 HA LYS 77 18.237 2.159 0.806 609 1HB LYS 77 HB2 LYS 77 20.305 2.548 2.513 610 2HB LYS 77 HB3 LYS 77 19.825 0.926 2.989 611 1HG LYS 77 HG2 LYS 77 21.523 0.721 1.358 612 2HG LYS 77 HG3 LYS 77 19.999 0.261 0.596 613 1HD LYS 77 HD2 LYS 77 19.829 2.475 -0.419 614 2HD LYS 77 HD3 LYS 77 21.338 2.957 0.357 615 1HE LYS 77 HE2 LYS 77 21.801 2.380 -1.924 616 2HE LYS 77 HE3 LYS 77 22.487 1.134 -0.880 617 1HZ LYS 77 HZ1 LYS 77 19.910 0.941 -2.353 618 2HZ LYS 77 HZ2 LYS 77 20.567 -0.258 -1.349 619 3HZ LYS 77 HZ3 LYS 77 21.360 0.168 -2.782 620 H TYR 78 HN TYR 78 16.896 0.431 0.411 621 HA TYR 78 HA TYR 78 15.474 -0.564 2.797 622 1HB TYR 78 HB2 TYR 78 14.275 -0.353 0.033 623 2HB TYR 78 HB3 TYR 78 13.448 -0.622 1.565 624 HD1 TYR 78 HD1 TYR 78 13.193 1.192 3.176 625 HD2 TYR 78 HD2 TYR 78 14.911 1.851 -0.658 626 HE1 TYR 78 HE1 TYR 78 12.837 3.602 3.441 627 HE2 TYR 78 HE2 TYR 78 14.559 4.270 -0.398 628 HH TYR 78 HH TYR 78 13.339 5.610 2.627 629 H LYS 79 HN LYS 79 14.671 -2.601 2.879 630 HA LYS 79 HA LYS 79 15.684 -4.537 0.908 631 1HB LYS 79 HB2 LYS 79 16.641 -5.065 3.013 632 2HB LYS 79 HB3 LYS 79 15.141 -4.746 3.863 633 1HG LYS 79 HG2 LYS 79 14.173 -6.753 3.120 634 2HG LYS 79 HG3 LYS 79 15.453 -7.020 1.934 635 1HD LYS 79 HD2 LYS 79 15.620 -8.427 4.010 636 2HD LYS 79 HD3 LYS 79 17.051 -7.464 3.648 637 1HE LYS 79 HE2 LYS 79 16.511 -7.399 6.031 638 2HE LYS 79 HE3 LYS 79 16.370 -5.805 5.296 639 1HZ LYS 79 HZ1 LYS 79 14.038 -5.920 5.359 640 2HZ LYS 79 HZ2 LYS 79 14.545 -6.481 6.872 641 3HZ LYS 79 HZ3 LYS 79 14.030 -7.581 5.690 642 H LEU 80 HN LEU 80 14.197 -5.646 -0.224 643 HA LEU 80 HA LEU 80 11.430 -4.863 0.102 644 1HB LEU 80 HB2 LEU 80 12.696 -5.055 -2.103 645 2HB LEU 80 HB3 LEU 80 12.562 -6.789 -1.917 646 HG LEU 80 HG LEU 80 10.871 -5.511 -3.412 647 1HD1 LEU 80 HD11 LEU 80 10.727 -7.885 -2.918 648 2HD1 LEU 80 HD12 LEU 80 9.902 -7.516 -1.402 649 3HD1 LEU 80 HD13 LEU 80 9.135 -7.123 -2.943 650 1HD2 LEU 80 HD21 LEU 80 8.864 -4.785 -2.280 651 2HD2 LEU 80 HD22 LEU 80 9.617 -5.104 -0.717 652 3HD2 LEU 80 HD23 LEU 80 10.255 -3.834 -1.759 653 H LYS 81 HN LYS 81 9.713 -6.257 0.489 654 HA LYS 81 HA LYS 81 10.404 -8.928 1.493 655 1HB LYS 81 HB2 LYS 81 10.256 -7.343 3.407 656 2HB LYS 81 HB3 LYS 81 8.603 -6.978 2.940 657 1HG LYS 81 HG2 LYS 81 7.930 -9.255 3.365 658 2HG LYS 81 HG3 LYS 81 9.597 -9.710 3.716 659 1HD LYS 81 HD2 LYS 81 8.350 -9.404 5.776 660 2HD LYS 81 HD3 LYS 81 9.608 -8.174 5.627 661 1HE LYS 81 HE2 LYS 81 7.953 -6.559 4.862 662 2HE LYS 81 HE3 LYS 81 6.689 -7.787 4.959 663 1HZ LYS 81 HZ1 LYS 81 6.780 -6.263 6.895 664 2HZ LYS 81 HZ2 LYS 81 8.310 -6.881 7.274 665 3HZ LYS 81 HZ3 LYS 81 6.953 -7.896 7.315 666 H LYS 82 HN LYS 82 9.354 -10.235 0.154 667 HA LYS 82 HA LYS 82 6.744 -9.506 -0.894 668 1HB LYS 82 HB2 LYS 82 8.379 -12.004 -1.378 669 2HB LYS 82 HB3 LYS 82 6.997 -11.451 -2.316 670 1HG LYS 82 HG2 LYS 82 8.245 -9.507 -3.053 671 2HG LYS 82 HG3 LYS 82 9.620 -10.000 -2.064 672 1HD LYS 82 HD2 LYS 82 9.791 -12.072 -3.385 673 2HD LYS 82 HD3 LYS 82 8.457 -11.510 -4.391 674 1HE LYS 82 HE2 LYS 82 9.789 -9.527 -5.000 675 2HE LYS 82 HE3 LYS 82 11.129 -10.158 -4.047 676 1HZ LYS 82 HZ1 LYS 82 9.984 -11.268 -6.545 677 2HZ LYS 82 HZ2 LYS 82 11.005 -12.176 -5.539 678 3HZ LYS 82 HZ3 LYS 82 11.573 -10.746 -6.256 679 H SER 83 HN SER 83 4.982 -9.972 0.227 680 HA SER 83 HA SER 83 4.765 -12.584 1.527 681 1HB SER 83 HB2 SER 83 4.047 -9.988 2.916 682 2HB SER 83 HB3 SER 83 3.870 -11.613 3.580 683 HG SER 83 HG SER 83 6.372 -11.404 2.818 684 H THR 84 HN THR 84 2.485 -13.102 2.059 685 HA THR 84 HA THR 84 0.558 -11.523 0.493 686 HB THR 84 HB THR 84 0.528 -14.546 0.678 687 HG1 THR 84 HG1 THR 84 1.844 -14.546 -0.989 688 1HG2 THR 84 HG21 THR 84 -1.665 -13.593 0.284 689 2HG2 THR 84 HG22 THR 84 -1.075 -14.346 -1.200 690 3HG2 THR 84 HG23 THR 84 -1.024 -12.591 -1.019 691 H ASN 85 HN ASN 85 -0.891 -10.698 1.866 692 HA ASN 85 HA ASN 85 -1.968 -12.287 4.032 693 1HB ASN 85 HB2 ASN 85 0.253 -10.966 4.726 694 2HB ASN 85 HB3 ASN 85 -0.908 -9.665 4.877 695 1HD2 ASN 85 HD21 ASN 85 0.631 -10.938 6.951 696 2HD2 ASN 85 HD22 ASN 85 -0.508 -11.573 8.084 697 H LYS 86 HN LYS 86 -3.551 -10.862 5.321 698 HA LYS 86 HA LYS 86 -5.311 -9.512 3.491 699 1HB LYS 86 HB2 LYS 86 -5.542 -9.223 6.466 700 2HB LYS 86 HB3 LYS 86 -6.818 -9.343 5.271 701 1HG LYS 86 HG2 LYS 86 -5.072 -11.688 5.915 702 2HG LYS 86 HG3 LYS 86 -6.463 -11.273 6.906 703 1HD LYS 86 HD2 LYS 86 -7.898 -11.442 4.918 704 2HD LYS 86 HD3 LYS 86 -6.489 -11.938 3.966 705 1HE LYS 86 HE2 LYS 86 -6.163 -13.860 5.444 706 2HE LYS 86 HE3 LYS 86 -7.552 -13.366 6.404 707 1HZ LYS 86 HZ1 LYS 86 -8.318 -15.048 4.993 708 2HZ LYS 86 HZ2 LYS 86 -7.516 -14.426 3.637 709 3HZ LYS 86 HZ3 LYS 86 -8.872 -13.620 4.270 710 H PHE 87 HN PHE 87 -6.091 -7.202 4.162 711 HA PHE 87 HA PHE 87 -4.326 -5.766 5.903 712 1HB PHE 87 HB2 PHE 87 -3.740 -3.969 4.303 713 2HB PHE 87 HB3 PHE 87 -2.996 -5.514 3.923 714 HD1 PHE 87 HD1 PHE 87 -3.221 -6.438 1.784 715 HD2 PHE 87 HD2 PHE 87 -5.814 -3.291 2.994 716 HE1 PHE 87 HE1 PHE 87 -4.115 -6.297 -0.505 717 HE2 PHE 87 HE2 PHE 87 -6.708 -3.149 0.709 718 HZ PHE 87 HZ PHE 87 -5.730 -4.582 -1.091 719 H CYS 88 HN CYS 88 -5.232 -3.962 6.791 720 HA CYS 88 HA CYS 88 -8.075 -3.628 6.172 721 1HB CYS 88 HB2 CYS 88 -7.031 -4.020 8.594 722 2HB CYS 88 HB3 CYS 88 -6.740 -2.291 8.494 723 H VAL 89 HN VAL 89 -8.663 -1.972 4.951 724 HA VAL 89 HA VAL 89 -6.848 0.339 4.777 725 HB VAL 89 HB VAL 89 -8.087 0.851 2.620 726 1HG1 VAL 89 HG11 VAL 89 -5.845 -0.066 2.629 727 2HG1 VAL 89 HG12 VAL 89 -6.488 -1.700 2.786 728 3HG1 VAL 89 HG13 VAL 89 -6.785 -0.773 1.315 729 1HG2 VAL 89 HG21 VAL 89 -10.057 -0.542 2.973 730 2HG2 VAL 89 HG22 VAL 89 -9.213 -1.039 1.504 731 3HG2 VAL 89 HG23 VAL 89 -9.051 -1.992 2.981 732 H THR 90 HN THR 90 -7.630 2.389 5.064 733 HA THR 90 HA THR 90 -10.170 2.614 6.419 734 HB THR 90 HB THR 90 -8.262 4.816 5.590 735 HG1 THR 90 HG1 THR 90 -8.442 3.298 8.004 736 1HG2 THR 90 HG21 THR 90 -10.544 5.570 6.150 737 2HG2 THR 90 HG22 THR 90 -9.357 6.122 7.335 738 3HG2 THR 90 HG23 THR 90 -10.414 4.760 7.711 739 H CYS 91 HN CYS 91 -11.925 2.520 5.123 740 HA CYS 91 HA CYS 91 -11.789 3.629 2.431 741 1HB CYS 91 HB2 CYS 91 -13.999 2.120 3.831 742 2HB CYS 91 HB3 CYS 91 -13.946 2.522 2.117 743 H GLU 92 HN GLU 92 -12.572 5.542 1.881 744 HA GLU 92 HA GLU 92 -14.911 6.572 3.286 745 1HB GLU 92 HB2 GLU 92 -12.831 7.629 4.281 746 2HB GLU 92 HB3 GLU 92 -12.560 8.356 2.705 747 1HG GLU 92 HG2 GLU 92 -14.796 9.414 2.869 748 2HG GLU 92 HG3 GLU 92 -14.921 8.786 4.506 749 H ASN 93 HN ASN 93 -16.363 7.389 1.912 750 HA ASN 93 HA ASN 93 -17.421 7.821 -0.048 751 1HB ASN 93 HB2 ASN 93 -14.771 9.164 -0.543 752 2HB ASN 93 HB3 ASN 93 -16.034 9.159 -1.772 753 1HD2 ASN 93 HD21 ASN 93 -14.976 10.460 1.224 754 2HD2 ASN 93 HD22 ASN 93 -16.266 11.598 1.434 755 H GLN 94 HN GLN 94 -16.235 5.283 0.263 756 HA GLN 94 HA GLN 94 -16.017 3.361 -0.902 757 1HB GLN 94 HB2 GLN 94 -16.837 5.096 -3.230 758 2HB GLN 94 HB3 GLN 94 -16.656 3.349 -3.318 759 1HG GLN 94 HG2 GLN 94 -18.379 3.103 -1.591 760 2HG GLN 94 HG3 GLN 94 -18.578 4.852 -1.565 761 1HE2 GLN 94 HE21 GLN 94 -17.920 3.146 -4.499 762 2HE2 GLN 94 HE22 GLN 94 -19.483 3.353 -5.206 763 H ALA 95 HN ALA 95 -13.770 5.274 -0.594 764 HA ALA 95 HA ALA 95 -11.990 3.828 -2.405 765 1HB ALA 95 HB1 ALA 95 -11.882 6.822 -2.033 766 2HB ALA 95 HB2 ALA 95 -10.733 5.847 -2.950 767 3HB ALA 95 HB3 ALA 95 -12.407 5.978 -3.490 768 HA PRO 96 HA PRO 96 -9.600 3.420 1.368 769 1HB PRO 96 HB2 PRO 96 -7.426 2.718 -0.488 770 2HB PRO 96 HB3 PRO 96 -8.140 1.766 0.814 771 1HG PRO 96 HG2 PRO 96 -8.552 1.210 -1.802 772 2HG PRO 96 HG3 PRO 96 -9.750 0.870 -0.545 773 1HD PRO 96 HD2 PRO 96 -9.700 3.041 -2.566 774 2HD PRO 96 HD3 PRO 96 -11.079 2.188 -1.855 775 H VAL 97 HN VAL 97 -9.038 5.358 2.202 776 HA VAL 97 HA VAL 97 -7.275 7.089 0.599 777 HB VAL 97 HB VAL 97 -8.025 8.939 2.078 778 1HG1 VAL 97 HG11 VAL 97 -10.208 7.428 0.645 779 2HG1 VAL 97 HG12 VAL 97 -10.299 9.119 1.139 780 3HG1 VAL 97 HG13 VAL 97 -9.110 8.614 -0.062 781 1HG2 VAL 97 HG21 VAL 97 -9.940 6.869 3.144 782 2HG2 VAL 97 HG22 VAL 97 -8.604 7.603 4.035 783 3HG2 VAL 97 HG23 VAL 97 -9.971 8.592 3.518 784 H HIS 98 HN HIS 98 -7.354 5.118 3.343 785 HA HIS 98 HA HIS 98 -4.691 6.039 4.097 786 1HB HIS 98 HB2 HIS 98 -6.985 5.748 6.047 787 2HB HIS 98 HB3 HIS 98 -5.301 5.848 6.531 788 HD1 HIS 98 HD1 HIS 98 -4.071 8.166 5.808 789 HD2 HIS 98 HD2 HIS 98 -8.229 8.151 5.786 790 HE1 HIS 98 HE1 HIS 98 -4.760 10.590 5.803 791 HE2 HIS 98 HE2 HIS 98 -7.281 10.556 5.696 792 H PHE 99 HN PHE 99 -3.435 4.419 5.149 793 HA PHE 99 HA PHE 99 -4.536 1.715 4.785 794 1HB PHE 99 HB2 PHE 99 -2.556 2.362 3.368 795 2HB PHE 99 HB3 PHE 99 -1.615 2.499 4.849 796 HD1 PHE 99 HD1 PHE 99 -0.612 0.635 5.804 797 HD2 PHE 99 HD2 PHE 99 -3.598 0.105 2.816 798 HE1 PHE 99 HE1 PHE 99 -0.091 -1.766 5.717 799 HE2 PHE 99 HE2 PHE 99 -3.081 -2.300 2.724 800 HZ PHE 99 HZ PHE 99 -1.345 -3.240 4.135 801 H VAL 100 HN VAL 100 -4.874 0.551 6.548 802 HA VAL 100 HA VAL 100 -4.061 1.617 9.115 803 HB VAL 100 HB VAL 100 -5.722 -0.817 8.453 804 1HG1 VAL 100 HG11 VAL 100 -4.751 -1.044 10.638 805 2HG1 VAL 100 HG12 VAL 100 -5.253 0.593 11.072 806 3HG1 VAL 100 HG13 VAL 100 -6.465 -0.659 10.803 807 1HG2 VAL 100 HG21 VAL 100 -6.813 1.203 7.677 808 2HG2 VAL 100 HG22 VAL 100 -7.641 0.598 9.111 809 3HG2 VAL 100 HG23 VAL 100 -6.550 1.976 9.239 810 H GLY 101 HN GLY 101 -3.945 -1.682 7.732 811 1HA GLY 101 HA1 GLY 101 -1.194 -2.082 8.113 812 2HA GLY 101 HA2 GLY 101 -2.031 -2.661 9.547 813 H VAL 102 HN VAL 102 -0.711 -4.562 8.324 814 HA VAL 102 HA VAL 102 -2.517 -5.814 6.388 815 HB VAL 102 HB VAL 102 -0.799 -7.045 5.533 816 1HG1 VAL 102 HG11 VAL 102 -0.314 -4.728 5.107 817 2HG1 VAL 102 HG12 VAL 102 0.604 -4.615 6.609 818 3HG1 VAL 102 HG13 VAL 102 1.187 -5.634 5.294 819 1HG2 VAL 102 HG21 VAL 102 1.282 -7.634 6.674 820 2HG2 VAL 102 HG22 VAL 102 0.739 -6.755 8.106 821 3HG2 VAL 102 HG23 VAL 102 -0.139 -8.189 7.561 822 H GLY 103 HN GLY 103 -3.045 -8.047 6.581 823 1HA GLY 103 HA1 GLY 103 -3.430 -10.036 7.748 824 2HA GLY 103 HA2 GLY 103 -2.667 -9.333 9.167 825 H SER 104 HN SER 104 -3.984 -7.228 9.810 826 HA SER 104 HA SER 104 -6.798 -7.260 9.527 827 1HB SER 104 HB2 SER 104 -7.215 -7.771 11.975 828 2HB SER 104 HB3 SER 104 -6.761 -9.155 10.988 829 HG SER 104 HG SER 104 -4.507 -8.312 11.809 830 H CYS 105 HN CYS 105 -7.714 -5.676 11.291 831 HA CYS 105 HA CYS 105 -5.645 -3.670 11.797 832 1HB CYS 105 HB2 CYS 105 -7.718 -2.082 11.842 833 2HB CYS 105 HB3 CYS 105 -6.958 -2.560 10.331 Start of MODEL 8 1 1H MET 1 H1 MET 1 -3.778 13.706 6.679 2 2H MET 1 H2 MET 1 -4.151 15.357 6.570 3 3H MET 1 H3 MET 1 -2.781 14.741 5.786 4 HA MET 1 HA MET 1 -5.584 14.045 5.159 5 1HB MET 1 HB2 MET 1 -5.112 16.303 4.436 6 2HB MET 1 HB3 MET 1 -3.587 15.800 3.718 7 1HG MET 1 HG2 MET 1 -4.843 14.402 2.119 8 2HG MET 1 HG3 MET 1 -6.346 15.017 2.804 9 1HE MET 1 HE1 MET 1 -7.054 15.686 0.293 10 2HE MET 1 HE2 MET 1 -6.072 16.720 -0.745 11 3HE MET 1 HE3 MET 1 -5.497 15.111 -0.303 12 H GLN 2 HN GLN 2 -5.868 12.330 3.885 13 HA GLN 2 HA GLN 2 -3.837 11.443 2.062 14 1HB GLN 2 HB2 GLN 2 -3.215 10.373 4.295 15 2HB GLN 2 HB3 GLN 2 -4.717 9.468 4.174 16 1HG GLN 2 HG2 GLN 2 -3.961 8.418 2.132 17 2HG GLN 2 HG3 GLN 2 -2.485 9.382 2.155 18 1HE2 GLN 2 HE21 GLN 2 -0.879 8.910 3.668 19 2HE2 GLN 2 HE22 GLN 2 -0.844 7.410 4.530 20 H ASP 3 HN ASP 3 -4.812 10.485 0.336 21 HA ASP 3 HA ASP 3 -7.653 9.791 0.562 22 1HB ASP 3 HB2 ASP 3 -8.325 11.271 -1.149 23 2HB ASP 3 HB3 ASP 3 -7.250 12.243 -0.148 24 H TRP 4 HN TRP 4 -8.291 9.265 -1.960 25 HA TRP 4 HA TRP 4 -7.120 6.762 -2.383 26 1HB TRP 4 HB2 TRP 4 -9.405 7.292 -3.073 27 2HB TRP 4 HB3 TRP 4 -8.794 8.418 -4.282 28 HD1 TRP 4 HD1 TRP 4 -9.089 7.375 -6.591 29 HE1 TRP 4 HE1 TRP 4 -8.744 5.039 -7.634 30 HE3 TRP 4 HE3 TRP 4 -7.705 4.804 -2.395 31 HZ2 TRP 4 HZ2 TRP 4 -7.981 2.470 -6.783 32 HZ3 TRP 4 HZ3 TRP 4 -7.196 2.403 -2.594 33 HH2 TRP 4 HH2 TRP 4 -7.321 1.270 -4.748 34 H LEU 5 HN LEU 5 -6.539 9.871 -3.997 35 HA LEU 5 HA LEU 5 -4.853 8.791 -6.007 36 1HB LEU 5 HB2 LEU 5 -5.207 11.573 -4.918 37 2HB LEU 5 HB3 LEU 5 -4.060 11.208 -6.190 38 HG LEU 5 HG LEU 5 -6.057 12.099 -7.170 39 1HD1 LEU 5 HD11 LEU 5 -4.939 10.379 -8.445 40 2HD1 LEU 5 HD12 LEU 5 -5.867 9.129 -7.616 41 3HD1 LEU 5 HD13 LEU 5 -6.683 10.271 -8.685 42 1HD2 LEU 5 HD21 LEU 5 -7.631 11.566 -5.376 43 2HD2 LEU 5 HD22 LEU 5 -8.236 11.060 -6.954 44 3HD2 LEU 5 HD23 LEU 5 -7.572 9.865 -5.839 45 H THR 6 HN THR 6 -4.262 10.185 -2.825 46 HA THR 6 HA THR 6 -1.422 10.045 -2.962 47 HB THR 6 HB THR 6 -3.232 10.079 -0.529 48 HG1 THR 6 HG1 THR 6 -3.684 11.957 -1.502 49 1HG2 THR 6 HG21 THR 6 -0.332 10.871 -0.810 50 2HG2 THR 6 HG22 THR 6 -0.928 9.417 -0.008 51 3HG2 THR 6 HG23 THR 6 -1.311 11.008 0.651 52 H PHE 7 HN PHE 7 -3.957 7.931 -1.780 53 HA PHE 7 HA PHE 7 -2.405 5.931 -0.584 54 1HB PHE 7 HB2 PHE 7 -4.907 6.241 -0.434 55 2HB PHE 7 HB3 PHE 7 -5.034 5.596 -2.062 56 HD1 PHE 7 HD1 PHE 7 -4.778 4.827 1.434 57 HD2 PHE 7 HD2 PHE 7 -4.309 3.243 -2.488 58 HE1 PHE 7 HE1 PHE 7 -4.889 2.544 2.347 59 HE2 PHE 7 HE2 PHE 7 -4.435 0.956 -1.583 60 HZ PHE 7 HZ PHE 7 -4.806 0.626 0.879 61 H GLN 8 HN GLN 8 -3.546 6.336 -3.908 62 HA GLN 8 HA GLN 8 -2.745 3.888 -4.942 63 1HB GLN 8 HB2 GLN 8 -3.443 6.520 -6.027 64 2HB GLN 8 HB3 GLN 8 -2.399 5.548 -7.053 65 1HG GLN 8 HG2 GLN 8 -4.032 3.703 -6.904 66 2HG GLN 8 HG3 GLN 8 -5.088 4.754 -5.960 67 1HE2 GLN 8 HE21 GLN 8 -6.145 6.441 -6.973 68 2HE2 GLN 8 HE22 GLN 8 -6.281 6.553 -8.694 69 H LYS 9 HN LYS 9 -0.974 6.990 -5.289 70 HA LYS 9 HA LYS 9 1.183 5.907 -6.681 71 1HB LYS 9 HB2 LYS 9 1.143 8.279 -4.814 72 2HB LYS 9 HB3 LYS 9 2.396 7.943 -5.999 73 1HG LYS 9 HG2 LYS 9 0.919 8.331 -7.807 74 2HG LYS 9 HG3 LYS 9 -0.487 8.356 -6.738 75 1HD LYS 9 HD2 LYS 9 0.268 10.379 -5.697 76 2HD LYS 9 HD3 LYS 9 1.789 10.323 -6.586 77 1HE LYS 9 HE2 LYS 9 -0.958 10.708 -7.770 78 2HE LYS 9 HE3 LYS 9 0.271 11.955 -7.563 79 1HZ LYS 9 HZ1 LYS 9 0.451 11.297 -9.779 80 2HZ LYS 9 HZ2 LYS 9 0.284 9.653 -9.415 81 3HZ LYS 9 HZ3 LYS 9 1.719 10.465 -9.015 82 H LYS 10 HN LYS 10 0.536 6.030 -3.277 83 HA LYS 10 HA LYS 10 3.277 5.327 -2.588 84 1HB LYS 10 HB2 LYS 10 0.889 6.092 -0.915 85 2HB LYS 10 HB3 LYS 10 2.454 5.674 -0.238 86 1HG LYS 10 HG2 LYS 10 3.478 7.566 -1.315 87 2HG LYS 10 HG3 LYS 10 1.983 7.930 -2.180 88 1HD LYS 10 HD2 LYS 10 0.889 8.217 0.076 89 2HD LYS 10 HD3 LYS 10 2.505 8.133 0.778 90 1HE LYS 10 HE2 LYS 10 1.721 10.106 -1.355 91 2HE LYS 10 HE3 LYS 10 1.610 10.451 0.367 92 1HZ LYS 10 HZ1 LYS 10 3.664 11.263 -0.709 93 2HZ LYS 10 HZ2 LYS 10 4.123 9.658 -0.997 94 3HZ LYS 10 HZ3 LYS 10 3.951 10.217 0.591 95 H HIS 11 HN HIS 11 0.377 3.617 -3.171 96 HA HIS 11 HA HIS 11 1.458 1.369 -1.613 97 1HB HIS 11 HB2 HIS 11 -1.370 2.387 -1.465 98 2HB HIS 11 HB3 HIS 11 -0.903 0.778 -0.925 99 HD1 HIS 11 HD1 HIS 11 1.305 0.965 0.859 100 HD2 HIS 11 HD2 HIS 11 -1.369 4.141 0.571 101 HE1 HIS 11 HE1 HIS 11 1.606 2.296 2.969 102 HE2 HIS 11 HE2 HIS 11 -0.155 4.097 2.862 103 H ILE 12 HN ILE 12 0.262 2.366 -4.579 104 HA ILE 12 HA ILE 12 -0.626 -0.365 -5.232 105 HB ILE 12 HB ILE 12 -1.093 2.205 -6.759 106 1HG1 ILE 12 HG12 ILE 12 -2.402 2.118 -4.709 107 2HG1 ILE 12 HG13 ILE 12 -3.451 1.908 -6.105 108 1HG2 ILE 12 HG21 ILE 12 -2.628 0.875 -8.144 109 2HG2 ILE 12 HG22 ILE 12 -0.957 0.324 -8.279 110 3HG2 ILE 12 HG23 ILE 12 -2.107 -0.583 -7.297 111 1HD1 ILE 12 HD11 ILE 12 -2.450 -0.285 -4.301 112 2HD1 ILE 12 HD12 ILE 12 -4.067 0.421 -4.288 113 3HD1 ILE 12 HD13 ILE 12 -3.515 -0.492 -5.692 114 H THR 13 HN THR 13 0.883 -1.607 -6.136 115 HA THR 13 HA THR 13 2.635 -0.379 -8.148 116 HB THR 13 HB THR 13 3.911 -0.822 -6.021 117 HG1 THR 13 HG1 THR 13 5.378 -0.862 -7.539 118 1HG2 THR 13 HG21 THR 13 3.351 -3.702 -6.735 119 2HG2 THR 13 HG22 THR 13 2.850 -2.861 -5.268 120 3HG2 THR 13 HG23 THR 13 4.562 -3.169 -5.568 121 H ASN 14 HN ASN 14 3.332 -1.797 -9.822 122 HA ASN 14 HA ASN 14 1.435 -4.002 -10.260 123 1HB ASN 14 HB2 ASN 14 1.733 -3.599 -12.661 124 2HB ASN 14 HB3 ASN 14 1.197 -2.138 -11.841 125 1HD2 ASN 14 HD21 ASN 14 3.773 -3.677 -13.558 126 2HD2 ASN 14 HD22 ASN 14 4.773 -2.273 -13.738 127 H THR 15 HN THR 15 4.242 -3.855 -9.011 128 HA THR 15 HA THR 15 5.253 -6.200 -10.437 129 HB THR 15 HB THR 15 6.559 -4.276 -11.248 130 HG1 THR 15 HG1 THR 15 7.568 -6.476 -10.099 131 1HG2 THR 15 HG21 THR 15 6.345 -2.809 -9.296 132 2HG2 THR 15 HG22 THR 15 8.032 -3.025 -9.760 133 3HG2 THR 15 HG23 THR 15 7.383 -3.894 -8.368 134 H ARG 16 HN ARG 16 5.960 -7.805 -9.111 135 HA ARG 16 HA ARG 16 5.322 -7.741 -6.370 136 1HB ARG 16 HB2 ARG 16 6.971 -9.642 -8.020 137 2HB ARG 16 HB3 ARG 16 6.741 -9.870 -6.292 138 1HG ARG 16 HG2 ARG 16 4.518 -9.696 -8.311 139 2HG ARG 16 HG3 ARG 16 5.179 -11.195 -7.650 140 1HD ARG 16 HD2 ARG 16 4.056 -8.998 -5.935 141 2HD ARG 16 HD3 ARG 16 3.069 -10.319 -6.554 142 HE ARG 16 HE ARG 16 4.758 -11.796 -5.327 143 1HH1 ARG 16 HH12 ARG 16 3.991 -8.533 -4.284 144 2HH1 ARG 16 HH11 ARG 16 4.197 -8.882 -2.595 145 1HH2 ARG 16 HH22 ARG 16 4.990 -12.271 -3.090 146 2HH2 ARG 16 HH21 ARG 16 4.735 -11.007 -1.924 147 H ASP 17 HN ASP 17 8.480 -7.612 -7.998 148 HA ASP 17 HA ASP 17 9.690 -6.892 -5.433 149 1HB ASP 17 HB2 ASP 17 10.726 -8.658 -6.911 150 2HB ASP 17 HB3 ASP 17 11.101 -7.379 -8.060 151 H VAL 18 HN VAL 18 8.721 -4.820 -5.329 152 HA VAL 18 HA VAL 18 9.257 -2.852 -7.324 153 HB VAL 18 HB VAL 18 7.309 -2.430 -6.069 154 1HG1 VAL 18 HG11 VAL 18 8.958 -2.748 -3.570 155 2HG1 VAL 18 HG12 VAL 18 7.316 -2.097 -3.598 156 3HG1 VAL 18 HG13 VAL 18 7.615 -3.759 -4.111 157 1HG2 VAL 18 HG21 VAL 18 7.776 -0.281 -4.889 158 2HG2 VAL 18 HG22 VAL 18 9.498 -0.596 -5.128 159 3HG2 VAL 18 HG23 VAL 18 8.435 -0.389 -6.523 160 H ASP 19 HN ASP 19 11.057 -1.629 -7.585 161 HA ASP 19 HA ASP 19 13.281 -2.104 -5.831 162 1HB ASP 19 HB2 ASP 19 13.533 -1.849 -8.322 163 2HB ASP 19 HB3 ASP 19 13.183 -0.134 -8.116 164 H CYS 20 HN CYS 20 12.059 -1.263 -4.029 165 HA CYS 20 HA CYS 20 11.447 1.371 -3.556 166 1HB CYS 20 HB2 CYS 20 12.334 -0.871 -1.790 167 2HB CYS 20 HB3 CYS 20 11.915 0.712 -1.131 168 H ASP 21 HN ASP 21 14.616 -0.084 -3.636 169 HA ASP 21 HA ASP 21 16.124 1.745 -2.210 170 1HB ASP 21 HB2 ASP 21 16.774 0.245 -4.748 171 2HB ASP 21 HB3 ASP 21 17.955 1.248 -3.914 172 H ASN 22 HN ASN 22 14.940 1.948 -5.521 173 HA ASN 22 HA ASN 22 15.932 4.689 -5.764 174 1HB ASN 22 HB2 ASN 22 16.214 3.104 -7.651 175 2HB ASN 22 HB3 ASN 22 14.469 2.953 -7.763 176 1HD2 ASN 22 HD21 ASN 22 14.304 3.733 -9.809 177 2HD2 ASN 22 HD22 ASN 22 14.622 5.383 -10.227 178 H ILE 23 HN ILE 23 12.901 2.887 -6.038 179 HA ILE 23 HA ILE 23 11.252 5.049 -6.629 180 HB ILE 23 HB ILE 23 10.606 2.406 -5.337 181 1HG1 ILE 23 HG12 ILE 23 10.243 3.505 -8.132 182 2HG1 ILE 23 HG13 ILE 23 11.452 2.329 -7.632 183 1HG2 ILE 23 HG21 ILE 23 8.891 4.013 -4.675 184 2HG2 ILE 23 HG22 ILE 23 8.663 4.476 -6.362 185 3HG2 ILE 23 HG23 ILE 23 8.251 2.844 -5.830 186 1HD1 ILE 23 HD11 ILE 23 9.616 1.271 -8.805 187 2HD1 ILE 23 HD12 ILE 23 9.684 0.729 -7.129 188 3HD1 ILE 23 HD13 ILE 23 8.473 1.911 -7.624 189 H LEU 24 HN LEU 24 12.054 3.715 -3.401 190 HA LEU 24 HA LEU 24 10.272 5.557 -2.096 191 1HB LEU 24 HB2 LEU 24 12.478 3.855 -0.938 192 2HB LEU 24 HB3 LEU 24 11.331 4.786 0.003 193 HG LEU 24 HG LEU 24 10.720 2.390 -1.725 194 1HD1 LEU 24 HD11 LEU 24 11.736 1.885 0.431 195 2HD1 LEU 24 HD12 LEU 24 10.503 2.854 1.238 196 3HD1 LEU 24 HD13 LEU 24 10.045 1.383 0.380 197 1HD2 LEU 24 HD21 LEU 24 8.879 4.212 -0.199 198 2HD2 LEU 24 HD22 LEU 24 8.880 3.905 -1.937 199 3HD2 LEU 24 HD23 LEU 24 8.433 2.617 -0.812 200 H SER 25 HN SER 25 13.342 5.814 -3.430 201 HA SER 25 HA SER 25 14.387 7.734 -1.549 202 1HB SER 25 HB2 SER 25 15.885 6.208 -2.817 203 2HB SER 25 HB3 SER 25 15.403 7.009 -4.312 204 HG SER 25 HG SER 25 16.139 8.933 -2.716 205 H THR 26 HN THR 26 12.179 7.826 -4.075 206 HA THR 26 HA THR 26 12.752 10.457 -5.051 207 HB THR 26 HB THR 26 10.580 10.329 -6.169 208 HG1 THR 26 HG1 THR 26 10.190 7.750 -5.042 209 1HG2 THR 26 HG21 THR 26 12.478 9.228 -7.229 210 2HG2 THR 26 HG22 THR 26 10.988 8.341 -7.547 211 3HG2 THR 26 HG23 THR 26 12.128 7.743 -6.342 212 H ASN 27 HN ASN 27 10.841 12.119 -4.927 213 HA ASN 27 HA ASN 27 10.649 12.791 -2.132 214 1HB ASN 27 HB2 ASN 27 11.028 14.461 -3.990 215 2HB ASN 27 HB3 ASN 27 9.351 14.216 -4.467 216 1HD2 ASN 27 HD21 ASN 27 7.733 15.153 -3.298 217 2HD2 ASN 27 HD22 ASN 27 8.019 16.256 -1.991 218 H LEU 28 HN LEU 28 8.846 10.935 -4.225 219 HA LEU 28 HA LEU 28 6.209 11.420 -3.300 220 1HB LEU 28 HB2 LEU 28 6.648 10.290 -5.414 221 2HB LEU 28 HB3 LEU 28 7.444 8.974 -4.574 222 HG LEU 28 HG LEU 28 5.311 8.333 -3.542 223 1HD1 LEU 28 HD11 LEU 28 4.281 10.552 -3.472 224 2HD1 LEU 28 HD12 LEU 28 4.114 10.525 -5.227 225 3HD1 LEU 28 HD13 LEU 28 3.228 9.362 -4.237 226 1HD2 LEU 28 HD21 LEU 28 5.169 8.623 -6.539 227 2HD2 LEU 28 HD22 LEU 28 5.968 7.322 -5.658 228 3HD2 LEU 28 HD23 LEU 28 4.216 7.505 -5.565 229 H PHE 29 HN PHE 29 8.897 9.688 -2.005 230 HA PHE 29 HA PHE 29 7.179 8.797 0.220 231 1HB PHE 29 HB2 PHE 29 9.573 7.324 -0.901 232 2HB PHE 29 HB3 PHE 29 8.637 6.837 0.511 233 HD1 PHE 29 HD1 PHE 29 8.834 6.855 -3.089 234 HD2 PHE 29 HD2 PHE 29 6.284 6.107 0.233 235 HE1 PHE 29 HE1 PHE 29 7.309 5.601 -4.549 236 HE2 PHE 29 HE2 PHE 29 4.751 4.852 -1.223 237 HZ PHE 29 HZ PHE 29 5.261 4.597 -3.617 238 H HIS 30 HN HIS 30 10.302 9.949 -0.860 239 HA HIS 30 HA HIS 30 11.931 11.157 0.133 240 1HB HIS 30 HB2 HIS 30 9.779 12.387 0.961 241 2HB HIS 30 HB3 HIS 30 10.177 11.660 2.517 242 HD1 HIS 30 HD1 HIS 30 11.972 12.780 3.878 243 HD2 HIS 30 HD2 HIS 30 11.815 14.148 -0.049 244 HE1 HIS 30 HE1 HIS 30 13.566 14.723 3.771 245 HE2 HIS 30 HE2 HIS 30 13.320 15.646 1.437 246 H CYS 31 HN CYS 31 11.786 8.399 0.503 247 HA CYS 31 HA CYS 31 12.237 6.630 1.814 248 1HB CYS 31 HB2 CYS 31 14.534 6.816 2.889 249 2HB CYS 31 HB3 CYS 31 14.415 7.042 1.154 250 H LYS 32 HN LYS 32 10.421 6.824 3.142 251 HA LYS 32 HA LYS 32 10.670 7.786 5.831 252 1HB LYS 32 HB2 LYS 32 8.490 6.681 6.163 253 2HB LYS 32 HB3 LYS 32 8.492 7.715 4.744 254 1HG LYS 32 HG2 LYS 32 9.096 5.437 3.538 255 2HG LYS 32 HG3 LYS 32 8.285 4.764 4.951 256 1HD LYS 32 HD2 LYS 32 7.137 6.790 3.031 257 2HD LYS 32 HD3 LYS 32 6.713 5.080 3.109 258 1HE LYS 32 HE2 LYS 32 6.326 7.047 5.365 259 2HE LYS 32 HE3 LYS 32 5.070 6.601 4.216 260 1HZ LYS 32 HZ1 LYS 32 6.473 4.665 5.976 261 2HZ LYS 32 HZ2 LYS 32 5.127 4.361 4.999 262 3HZ LYS 32 HZ3 LYS 32 4.982 5.374 6.346 263 H ASP 33 HN ASP 33 9.918 5.943 7.563 264 HA ASP 33 HA ASP 33 12.169 4.286 7.924 265 1HB ASP 33 HB2 ASP 33 10.828 5.009 9.819 266 2HB ASP 33 HB3 ASP 33 9.422 4.156 9.193 267 H LYS 34 HN LYS 34 8.844 3.454 6.947 268 HA LYS 34 HA LYS 34 9.844 1.559 5.071 269 1HB LYS 34 HB2 LYS 34 8.511 -0.388 6.042 270 2HB LYS 34 HB3 LYS 34 10.053 -0.008 6.780 271 1HG LYS 34 HG2 LYS 34 8.537 -0.537 8.511 272 2HG LYS 34 HG3 LYS 34 8.811 1.202 8.574 273 1HD LYS 34 HD2 LYS 34 6.682 1.697 7.889 274 2HD LYS 34 HD3 LYS 34 6.492 0.176 7.012 275 1HE LYS 34 HE2 LYS 34 5.131 0.398 9.114 276 2HE LYS 34 HE3 LYS 34 6.150 -1.037 9.017 277 1HZ LYS 34 HZ1 LYS 34 6.793 1.451 10.511 278 2HZ LYS 34 HZ2 LYS 34 7.783 0.082 10.407 279 3HZ LYS 34 HZ3 LYS 34 6.290 -0.017 11.196 280 H ASN 35 HN ASN 35 8.124 0.512 3.814 281 HA ASN 35 HA ASN 35 5.476 1.678 4.020 282 1HB ASN 35 HB2 ASN 35 6.806 3.373 2.750 283 2HB ASN 35 HB3 ASN 35 7.148 2.152 1.540 284 1HD2 ASN 35 HD21 ASN 35 5.560 1.538 0.113 285 2HD2 ASN 35 HD22 ASN 35 4.081 2.420 -0.075 286 H THR 36 HN THR 36 4.013 0.203 3.421 287 HA THR 36 HA THR 36 4.931 -2.203 2.042 288 HB THR 36 HB THR 36 2.248 -1.667 3.339 289 HG1 THR 36 HG1 THR 36 4.195 -3.339 4.515 290 1HG2 THR 36 HG21 THR 36 3.578 -4.243 2.488 291 2HG2 THR 36 HG22 THR 36 2.190 -3.481 1.711 292 3HG2 THR 36 HG23 THR 36 2.046 -4.118 3.349 293 H PHE 37 HN PHE 37 4.542 -2.520 -0.059 294 HA PHE 37 HA PHE 37 2.526 -0.851 -1.409 295 1HB PHE 37 HB2 PHE 37 4.760 -2.540 -2.562 296 2HB PHE 37 HB3 PHE 37 3.599 -1.630 -3.516 297 HD1 PHE 37 HD1 PHE 37 6.347 -1.294 -1.044 298 HD2 PHE 37 HD2 PHE 37 3.930 0.623 -3.982 299 HE1 PHE 37 HE1 PHE 37 7.766 0.698 -0.909 300 HE2 PHE 37 HE2 PHE 37 5.369 2.610 -3.864 301 HZ PHE 37 HZ PHE 37 7.416 2.543 -2.442 302 H ILE 38 HN ILE 38 1.026 -1.784 -2.824 303 HA ILE 38 HA ILE 38 0.392 -4.595 -2.232 304 HB ILE 38 HB ILE 38 -1.436 -2.395 -3.222 305 1HG1 ILE 38 HG12 ILE 38 -1.467 -3.683 -0.495 306 2HG1 ILE 38 HG13 ILE 38 -0.536 -2.227 -0.831 307 1HG2 ILE 38 HG21 ILE 38 -2.112 -5.182 -2.271 308 2HG2 ILE 38 HG22 ILE 38 -3.253 -3.952 -2.818 309 3HG2 ILE 38 HG23 ILE 38 -2.099 -4.653 -3.953 310 1HD1 ILE 38 HD11 ILE 38 -3.510 -2.500 -1.186 311 2HD1 ILE 38 HD12 ILE 38 -2.702 -1.742 0.187 312 3HD1 ILE 38 HD13 ILE 38 -2.549 -1.038 -1.421 313 H TYR 39 HN TYR 39 0.880 -5.941 -3.831 314 HA TYR 39 HA TYR 39 1.152 -5.023 -6.555 315 1HB TYR 39 HB2 TYR 39 2.704 -6.719 -5.827 316 2HB TYR 39 HB3 TYR 39 1.393 -7.768 -5.302 317 HD1 TYR 39 HD1 TYR 39 2.642 -6.073 -8.388 318 HD2 TYR 39 HD2 TYR 39 0.733 -9.478 -6.708 319 HE1 TYR 39 HE1 TYR 39 2.645 -7.151 -10.595 320 HE2 TYR 39 HE2 TYR 39 0.730 -10.568 -8.908 321 HH TYR 39 HH TYR 39 0.906 -10.105 -11.191 322 H SER 40 HN SER 40 -0.824 -4.323 -7.126 323 HA SER 40 HA SER 40 -2.604 -6.141 -8.283 324 1HB SER 40 HB2 SER 40 -3.210 -6.449 -5.809 325 2HB SER 40 HB3 SER 40 -3.774 -4.782 -5.832 326 HG SER 40 HG SER 40 -4.982 -7.039 -6.765 327 H ARG 41 HN ARG 41 -4.812 -4.688 -8.673 328 HA ARG 41 HA ARG 41 -3.723 -2.159 -9.666 329 1HB ARG 41 HB2 ARG 41 -6.080 -3.807 -10.523 330 2HB ARG 41 HB3 ARG 41 -5.891 -2.138 -11.031 331 1HG ARG 41 HG2 ARG 41 -3.928 -4.358 -11.532 332 2HG ARG 41 HG3 ARG 41 -5.039 -3.669 -12.719 333 1HD ARG 41 HD2 ARG 41 -3.967 -1.490 -12.447 334 2HD ARG 41 HD3 ARG 41 -2.864 -2.175 -11.257 335 HE ARG 41 HE ARG 41 -2.376 -3.721 -13.382 336 1HH1 ARG 41 HH12 ARG 41 -2.724 -0.244 -13.122 337 2HH1 ARG 41 HH11 ARG 41 -1.550 0.098 -14.361 338 1HH2 ARG 41 HH22 ARG 41 -0.812 -3.290 -14.996 339 2HH2 ARG 41 HH21 ARG 41 -0.470 -1.645 -15.440 340 HA PRO 42 HA PRO 42 -5.912 0.429 -6.935 341 1HB PRO 42 HB2 PRO 42 -6.921 2.280 -8.734 342 2HB PRO 42 HB3 PRO 42 -5.289 2.299 -8.068 343 1HG PRO 42 HG2 PRO 42 -6.260 1.305 -10.701 344 2HG PRO 42 HG3 PRO 42 -4.758 2.151 -10.306 345 1HD PRO 42 HD2 PRO 42 -4.841 -0.503 -10.750 346 2HD PRO 42 HD3 PRO 42 -3.725 0.228 -9.574 347 H GLU 43 HN GLU 43 -7.647 -0.763 -9.765 348 HA GLU 43 HA GLU 43 -10.189 0.178 -8.934 349 1HB GLU 43 HB2 GLU 43 -9.277 -1.788 -11.002 350 2HB GLU 43 HB3 GLU 43 -10.982 -1.533 -10.679 351 1HG GLU 43 HG2 GLU 43 -9.002 0.557 -11.556 352 2HG GLU 43 HG3 GLU 43 -10.256 -0.184 -12.550 353 HA PRO 44 HA PRO 44 -10.963 -4.386 -7.426 354 1HB PRO 44 HB2 PRO 44 -8.688 -5.833 -6.913 355 2HB PRO 44 HB3 PRO 44 -9.627 -5.958 -8.400 356 1HG PRO 44 HG2 PRO 44 -7.128 -4.414 -7.857 357 2HG PRO 44 HG3 PRO 44 -7.573 -5.366 -9.287 358 1HD PRO 44 HD2 PRO 44 -7.750 -2.684 -9.267 359 2HD PRO 44 HD3 PRO 44 -8.912 -3.689 -10.139 360 H VAL 45 HN VAL 45 -8.339 -2.343 -6.393 361 HA VAL 45 HA VAL 45 -8.573 -3.214 -3.630 362 HB VAL 45 HB VAL 45 -6.891 -1.028 -4.875 363 1HG1 VAL 45 HG11 VAL 45 -5.750 -0.868 -2.717 364 2HG1 VAL 45 HG12 VAL 45 -7.452 -0.428 -2.576 365 3HG1 VAL 45 HG13 VAL 45 -6.901 -2.009 -2.022 366 1HG2 VAL 45 HG21 VAL 45 -6.162 -3.733 -3.762 367 2HG2 VAL 45 HG22 VAL 45 -6.180 -3.275 -5.465 368 3HG2 VAL 45 HG23 VAL 45 -5.022 -2.529 -4.363 369 H LYS 46 HN LYS 46 -9.580 -0.552 -5.683 370 HA LYS 46 HA LYS 46 -10.748 0.995 -3.590 371 1HB LYS 46 HB2 LYS 46 -10.153 1.829 -5.908 372 2HB LYS 46 HB3 LYS 46 -11.566 0.966 -6.502 373 1HG LYS 46 HG2 LYS 46 -13.009 2.329 -5.098 374 2HG LYS 46 HG3 LYS 46 -11.600 3.173 -4.451 375 1HD LYS 46 HD2 LYS 46 -11.059 3.867 -6.796 376 2HD LYS 46 HD3 LYS 46 -12.621 3.208 -7.283 377 1HE LYS 46 HE2 LYS 46 -12.184 5.382 -5.241 378 2HE LYS 46 HE3 LYS 46 -12.722 5.626 -6.898 379 1HZ LYS 46 HZ1 LYS 46 -14.186 4.117 -4.800 380 2HZ LYS 46 HZ2 LYS 46 -14.703 4.317 -6.401 381 3HZ LYS 46 HZ3 LYS 46 -14.579 5.662 -5.376 382 H ALA 47 HN ALA 47 -11.650 -1.806 -5.354 383 HA ALA 47 HA ALA 47 -14.463 -1.691 -4.932 384 1HB ALA 47 HB1 ALA 47 -14.473 -4.002 -5.685 385 2HB ALA 47 HB2 ALA 47 -13.461 -3.008 -6.733 386 3HB ALA 47 HB3 ALA 47 -12.717 -4.071 -5.539 387 H ILE 48 HN ILE 48 -11.824 -2.441 -2.914 388 HA ILE 48 HA ILE 48 -13.144 -4.157 -1.076 389 HB ILE 48 HB ILE 48 -10.893 -2.215 -0.504 390 1HG1 ILE 48 HG12 ILE 48 -10.731 -5.127 -1.318 391 2HG1 ILE 48 HG13 ILE 48 -10.444 -3.777 -2.408 392 1HG2 ILE 48 HG21 ILE 48 -11.972 -3.081 1.501 393 2HG2 ILE 48 HG22 ILE 48 -11.763 -4.733 0.917 394 3HG2 ILE 48 HG23 ILE 48 -10.352 -3.755 1.323 395 1HD1 ILE 48 HD11 ILE 48 -8.848 -4.453 0.046 396 2HD1 ILE 48 HD12 ILE 48 -8.359 -4.698 -1.630 397 3HD1 ILE 48 HD13 ILE 48 -8.571 -3.064 -1.005 398 H CYS 49 HN CYS 49 -13.003 -0.714 -1.595 399 HA CYS 49 HA CYS 49 -14.591 -0.199 0.808 400 1HB CYS 49 HB2 CYS 49 -13.175 1.655 -1.115 401 2HB CYS 49 HB3 CYS 49 -14.057 2.176 0.318 402 H LYS 50 HN LYS 50 -15.487 -1.422 -1.819 403 HA LYS 50 HA LYS 50 -17.210 0.314 -3.174 404 1HB LYS 50 HB2 LYS 50 -16.628 -1.901 -4.030 405 2HB LYS 50 HB3 LYS 50 -17.475 -2.660 -2.691 406 1HG LYS 50 HG2 LYS 50 -19.584 -1.649 -3.510 407 2HG LYS 50 HG3 LYS 50 -18.698 -1.026 -4.903 408 1HD LYS 50 HD2 LYS 50 -18.931 -3.943 -4.160 409 2HD LYS 50 HD3 LYS 50 -19.905 -3.131 -5.387 410 1HE LYS 50 HE2 LYS 50 -16.905 -3.460 -5.413 411 2HE LYS 50 HE3 LYS 50 -18.059 -4.353 -6.403 412 1HZ LYS 50 HZ1 LYS 50 -18.760 -2.102 -7.281 413 2HZ LYS 50 HZ2 LYS 50 -17.239 -2.664 -7.772 414 3HZ LYS 50 HZ3 LYS 50 -17.353 -1.481 -6.561 415 H GLY 51 HN GLY 51 -18.781 1.472 -2.336 416 1HA GLY 51 HA1 GLY 51 -20.924 1.803 -1.521 417 2HA GLY 51 HA2 GLY 51 -20.925 0.157 -0.915 418 H ILE 52 HN ILE 52 -18.193 2.037 -0.002 419 HA ILE 52 HA ILE 52 -19.343 2.235 2.703 420 HB ILE 52 HB ILE 52 -16.398 2.144 2.062 421 1HG1 ILE 52 HG12 ILE 52 -17.484 0.076 1.248 422 2HG1 ILE 52 HG13 ILE 52 -16.420 -0.226 2.611 423 1HG2 ILE 52 HG21 ILE 52 -17.976 1.699 4.594 424 2HG2 ILE 52 HG22 ILE 52 -16.234 1.465 4.437 425 3HG2 ILE 52 HG23 ILE 52 -16.932 3.070 4.223 426 1HD1 ILE 52 HD11 ILE 52 -18.464 -1.515 2.785 427 2HD1 ILE 52 HD12 ILE 52 -18.358 -0.337 4.093 428 3HD1 ILE 52 HD13 ILE 52 -19.417 -0.033 2.716 429 H ILE 53 HN ILE 53 -20.143 4.296 2.658 430 HA ILE 53 HA ILE 53 -18.558 6.451 1.550 431 HB ILE 53 HB ILE 53 -21.216 6.565 2.964 432 1HG1 ILE 53 HG12 ILE 53 -21.622 5.290 1.052 433 2HG1 ILE 53 HG13 ILE 53 -22.017 6.923 0.555 434 1HG2 ILE 53 HG21 ILE 53 -21.448 8.740 1.866 435 2HG2 ILE 53 HG22 ILE 53 -20.093 8.698 2.995 436 3HG2 ILE 53 HG23 ILE 53 -19.799 8.593 1.261 437 1HD1 ILE 53 HD11 ILE 53 -20.803 5.869 -1.200 438 2HD1 ILE 53 HD12 ILE 53 -19.774 7.101 -0.467 439 3HD1 ILE 53 HD13 ILE 53 -19.517 5.395 -0.086 440 H ALA 54 HN ALA 54 -20.078 5.826 4.710 441 HA ALA 54 HA ALA 54 -18.594 7.798 6.087 442 1HB ALA 54 HB1 ALA 54 -20.715 6.921 6.942 443 2HB ALA 54 HB2 ALA 54 -19.964 5.345 7.191 444 3HB ALA 54 HB3 ALA 54 -19.418 6.740 8.124 445 H SER 55 HN SER 55 -16.671 7.728 7.079 446 HA SER 55 HA SER 55 -14.637 6.084 6.335 447 1HB SER 55 HB2 SER 55 -14.589 7.220 9.076 448 2HB SER 55 HB3 SER 55 -13.400 7.351 7.780 449 HG SER 55 HG SER 55 -14.296 9.136 7.165 450 H LYS 56 HN LYS 56 -14.714 3.914 6.497 451 HA LYS 56 HA LYS 56 -14.990 2.781 9.200 452 1HB LYS 56 HB2 LYS 56 -17.054 2.338 7.894 453 2HB LYS 56 HB3 LYS 56 -16.082 1.552 6.658 454 1HG LYS 56 HG2 LYS 56 -15.288 0.080 8.695 455 2HG LYS 56 HG3 LYS 56 -16.829 0.608 9.377 456 1HD LYS 56 HD2 LYS 56 -16.440 -0.788 6.729 457 2HD LYS 56 HD3 LYS 56 -17.059 -1.524 8.205 458 1HE LYS 56 HE2 LYS 56 -18.362 0.800 6.806 459 2HE LYS 56 HE3 LYS 56 -18.803 -0.884 6.536 460 1HZ LYS 56 HZ1 LYS 56 -18.958 0.554 9.136 461 2HZ LYS 56 HZ2 LYS 56 -19.368 -1.073 8.878 462 3HZ LYS 56 HZ3 LYS 56 -20.272 0.158 8.133 463 H ASN 57 HN ASN 57 -13.341 1.479 9.757 464 HA ASN 57 HA ASN 57 -11.286 0.831 7.833 465 1HB ASN 57 HB2 ASN 57 -11.648 0.132 10.754 466 2HB ASN 57 HB3 ASN 57 -10.276 -0.411 9.796 467 1HD2 ASN 57 HD21 ASN 57 -10.391 1.326 12.152 468 2HD2 ASN 57 HD22 ASN 57 -9.605 2.793 11.684 469 H VAL 58 HN VAL 58 -11.547 -0.803 6.436 470 HA VAL 58 HA VAL 58 -13.109 -3.125 7.362 471 HB VAL 58 HB VAL 58 -13.872 -3.535 5.156 472 1HG1 VAL 58 HG11 VAL 58 -14.029 -0.582 5.707 473 2HG1 VAL 58 HG12 VAL 58 -15.052 -1.455 4.567 474 3HG1 VAL 58 HG13 VAL 58 -15.134 -1.826 6.288 475 1HG2 VAL 58 HG21 VAL 58 -11.862 -3.097 3.904 476 2HG2 VAL 58 HG22 VAL 58 -13.205 -2.185 3.214 477 3HG2 VAL 58 HG23 VAL 58 -12.008 -1.369 4.220 478 H LEU 59 HN LEU 59 -12.294 -5.134 7.132 479 HA LEU 59 HA LEU 59 -9.482 -5.338 6.353 480 1HB LEU 59 HB2 LEU 59 -10.348 -6.038 8.637 481 2HB LEU 59 HB3 LEU 59 -11.198 -7.325 7.828 482 HG LEU 59 HG LEU 59 -8.953 -7.824 8.988 483 1HD1 LEU 59 HD11 LEU 59 -9.435 -8.739 6.167 484 2HD1 LEU 59 HD12 LEU 59 -8.405 -9.537 7.356 485 3HD1 LEU 59 HD13 LEU 59 -10.145 -9.434 7.624 486 1HD2 LEU 59 HD21 LEU 59 -7.718 -5.980 8.008 487 2HD2 LEU 59 HD22 LEU 59 -6.993 -7.536 7.593 488 3HD2 LEU 59 HD23 LEU 59 -7.958 -6.667 6.398 489 H THR 60 HN THR 60 -8.828 -6.780 4.752 490 HA THR 60 HA THR 60 -10.845 -7.340 2.778 491 HB THR 60 HB THR 60 -8.936 -8.200 1.418 492 HG1 THR 60 HG1 THR 60 -7.270 -8.815 2.560 493 1HG2 THR 60 HG21 THR 60 -7.816 -6.024 1.168 494 2HG2 THR 60 HG22 THR 60 -8.550 -5.487 2.681 495 3HG2 THR 60 HG23 THR 60 -9.569 -5.856 1.289 496 H THR 61 HN THR 61 -11.505 -9.285 1.993 497 HA THR 61 HA THR 61 -11.701 -11.383 3.900 498 HB THR 61 HB THR 61 -12.858 -12.532 1.925 499 HG1 THR 61 HG1 THR 61 -13.114 -11.355 0.093 500 1HG2 THR 61 HG21 THR 61 -14.817 -11.035 2.105 501 2HG2 THR 61 HG22 THR 61 -13.791 -9.822 2.877 502 3HG2 THR 61 HG23 THR 61 -14.089 -11.368 3.677 503 H SER 62 HN SER 62 -9.473 -10.717 1.411 504 HA SER 62 HA SER 62 -8.374 -13.429 1.582 505 1HB SER 62 HB2 SER 62 -8.591 -11.830 -0.980 506 2HB SER 62 HB3 SER 62 -7.969 -13.471 -0.809 507 HG SER 62 HG SER 62 -10.460 -12.715 -1.259 508 H GLU 63 HN GLU 63 -6.082 -13.534 0.978 509 HA GLU 63 HA GLU 63 -4.651 -11.195 1.899 510 1HB GLU 63 HB2 GLU 63 -3.428 -13.756 0.859 511 2HB GLU 63 HB3 GLU 63 -2.675 -12.543 1.871 512 1HG GLU 63 HG2 GLU 63 -3.129 -14.363 3.269 513 2HG GLU 63 HG3 GLU 63 -4.344 -13.147 3.652 514 H PHE 64 HN PHE 64 -3.504 -9.824 0.685 515 HA PHE 64 HA PHE 64 -3.540 -10.244 -2.219 516 1HB PHE 64 HB2 PHE 64 -3.276 -7.763 -0.533 517 2HB PHE 64 HB3 PHE 64 -2.910 -7.767 -2.251 518 HD1 PHE 64 HD1 PHE 64 -4.609 -7.577 -3.845 519 HD2 PHE 64 HD2 PHE 64 -5.611 -8.397 0.210 520 HE1 PHE 64 HE1 PHE 64 -6.986 -7.205 -4.361 521 HE2 PHE 64 HE2 PHE 64 -7.989 -8.029 -0.301 522 HZ PHE 64 HZ PHE 64 -8.679 -7.431 -2.590 523 H TYR 65 HN TYR 65 -1.579 -9.351 -3.353 524 HA TYR 65 HA TYR 65 0.741 -10.569 -2.120 525 1HB TYR 65 HB2 TYR 65 0.446 -9.294 -4.848 526 2HB TYR 65 HB3 TYR 65 1.816 -10.256 -4.297 527 HD1 TYR 65 HD1 TYR 65 -1.276 -10.322 -5.994 528 HD2 TYR 65 HD2 TYR 65 1.254 -12.676 -3.514 529 HE1 TYR 65 HE1 TYR 65 -2.406 -12.361 -6.784 530 HE2 TYR 65 HE2 TYR 65 0.136 -14.719 -4.298 531 HH TYR 65 HH TYR 65 -2.123 -15.322 -5.271 532 H LEU 66 HN LEU 66 1.744 -9.348 -0.671 533 HA LEU 66 HA LEU 66 1.842 -6.457 -1.125 534 1HB LEU 66 HB2 LEU 66 2.339 -8.010 1.413 535 2HB LEU 66 HB3 LEU 66 2.280 -6.264 1.262 536 HG LEU 66 HG LEU 66 -0.032 -8.149 0.815 537 1HD1 LEU 66 HD11 LEU 66 0.508 -6.175 3.024 538 2HD1 LEU 66 HD12 LEU 66 -0.952 -7.146 2.834 539 3HD1 LEU 66 HD13 LEU 66 0.593 -7.932 3.159 540 1HD2 LEU 66 HD21 LEU 66 0.072 -5.136 0.722 541 2HD2 LEU 66 HD22 LEU 66 -0.171 -6.213 -0.654 542 3HD2 LEU 66 HD23 LEU 66 -1.388 -6.122 0.619 543 H SER 67 HN SER 67 3.755 -5.316 -0.904 544 HA SER 67 HA SER 67 6.216 -6.906 -0.648 545 1HB SER 67 HB2 SER 67 5.836 -4.471 -2.415 546 2HB SER 67 HB3 SER 67 7.272 -5.488 -2.308 547 HG SER 67 HG SER 67 6.354 -6.485 -3.929 548 H ASP 68 HN ASP 68 7.010 -6.378 1.277 549 HA ASP 68 HA ASP 68 6.455 -3.746 2.400 550 1HB ASP 68 HB2 ASP 68 7.671 -6.234 3.616 551 2HB ASP 68 HB3 ASP 68 7.495 -4.711 4.480 552 H CYS 69 HN CYS 69 7.873 -2.163 2.346 553 HA CYS 69 HA CYS 69 10.696 -2.844 1.871 554 1HB CYS 69 HB2 CYS 69 9.038 -0.486 0.997 555 2HB CYS 69 HB3 CYS 69 10.795 -0.480 0.906 556 H ASN 70 HN ASN 70 11.977 -2.479 3.550 557 HA ASN 70 HA ASN 70 11.256 -0.292 5.379 558 1HB ASN 70 HB2 ASN 70 12.105 -1.776 7.264 559 2HB ASN 70 HB3 ASN 70 10.543 -2.195 6.578 560 1HD2 ASN 70 HD21 ASN 70 10.609 -4.306 7.202 561 2HD2 ASN 70 HD22 ASN 70 11.691 -5.463 6.515 562 H VAL 71 HN VAL 71 12.895 0.796 6.377 563 HA VAL 71 HA VAL 71 15.304 0.979 4.898 564 HB VAL 71 HB VAL 71 14.168 2.864 6.119 565 1HG1 VAL 71 HG11 VAL 71 13.704 1.784 8.224 566 2HG1 VAL 71 HG12 VAL 71 15.428 1.605 8.545 567 3HG1 VAL 71 HG13 VAL 71 14.704 3.212 8.482 568 1HG2 VAL 71 HG21 VAL 71 16.424 3.093 5.235 569 2HG2 VAL 71 HG22 VAL 71 16.237 3.995 6.740 570 3HG2 VAL 71 HG23 VAL 71 17.089 2.450 6.736 571 H THR 72 HN THR 72 17.354 0.231 5.351 572 HA THR 72 HA THR 72 17.402 -1.839 7.443 573 HB THR 72 HB THR 72 19.118 -2.974 5.947 574 HG1 THR 72 HG1 THR 72 17.966 -1.243 3.987 575 1HG2 THR 72 HG21 THR 72 16.308 -2.672 4.877 576 2HG2 THR 72 HG22 THR 72 16.787 -3.741 6.195 577 3HG2 THR 72 HG23 THR 72 17.406 -4.019 4.567 578 H SER 73 HN SER 73 20.317 -1.462 5.769 579 HA SER 73 HA SER 73 21.567 -0.771 8.287 580 1HB SER 73 HB2 SER 73 23.665 -1.274 6.757 581 2HB SER 73 HB3 SER 73 22.661 -2.584 7.382 582 HG SER 73 HG SER 73 22.409 -1.376 4.805 583 H ARG 74 HN ARG 74 20.826 0.719 5.290 584 HA ARG 74 HA ARG 74 22.465 3.016 6.096 585 1HB ARG 74 HB2 ARG 74 21.872 1.966 3.343 586 2HB ARG 74 HB3 ARG 74 22.387 3.625 3.611 587 1HG ARG 74 HG2 ARG 74 24.450 2.797 4.652 588 2HG ARG 74 HG3 ARG 74 23.933 1.143 4.319 589 1HD ARG 74 HD2 ARG 74 25.512 2.007 2.628 590 2HD ARG 74 HD3 ARG 74 23.944 1.580 1.940 591 HE ARG 74 HE ARG 74 23.914 4.300 2.634 592 1HH1 ARG 74 HH12 ARG 74 25.345 2.146 0.276 593 2HH1 ARG 74 HH11 ARG 74 25.625 3.407 -0.890 594 1HH2 ARG 74 HH22 ARG 74 24.193 5.924 1.097 595 2HH2 ARG 74 HH21 ARG 74 24.935 5.563 -0.434 596 HA PRO 75 HA PRO 75 18.747 5.435 6.195 597 1HB PRO 75 HB2 PRO 75 20.408 7.597 5.037 598 2HB PRO 75 HB3 PRO 75 19.468 7.576 6.532 599 1HG PRO 75 HG2 PRO 75 22.140 7.449 6.572 600 2HG PRO 75 HG3 PRO 75 21.152 6.546 7.735 601 1HD PRO 75 HD2 PRO 75 22.570 5.567 5.289 602 2HD PRO 75 HD3 PRO 75 22.367 4.781 6.870 603 H CYS 76 HN CYS 76 17.161 5.556 4.792 604 HA CYS 76 HA CYS 76 15.956 5.595 2.886 605 1HB CYS 76 HB2 CYS 76 18.344 7.010 1.686 606 2HB CYS 76 HB3 CYS 76 16.705 7.001 1.043 607 H LYS 77 HN LYS 77 18.305 3.530 3.341 608 HA LYS 77 HA LYS 77 18.119 2.356 0.654 609 1HB LYS 77 HB2 LYS 77 20.346 2.774 2.197 610 2HB LYS 77 HB3 LYS 77 19.945 1.106 2.585 611 1HG LYS 77 HG2 LYS 77 21.526 1.261 0.740 612 2HG LYS 77 HG3 LYS 77 20.003 0.522 0.240 613 1HD LYS 77 HD2 LYS 77 19.279 2.598 -0.760 614 2HD LYS 77 HD3 LYS 77 20.715 3.426 -0.161 615 1HE LYS 77 HE2 LYS 77 20.918 2.887 -2.530 616 2HE LYS 77 HE3 LYS 77 22.125 2.035 -1.571 617 1HZ LYS 77 HZ1 LYS 77 20.994 0.022 -1.812 618 2HZ LYS 77 HZ2 LYS 77 20.921 0.724 -3.354 619 3HZ LYS 77 HZ3 LYS 77 19.565 0.762 -2.336 620 H TYR 78 HN TYR 78 17.049 0.426 0.404 621 HA TYR 78 HA TYR 78 15.748 -0.573 2.852 622 1HB TYR 78 HB2 TYR 78 14.560 -0.201 0.103 623 2HB TYR 78 HB3 TYR 78 13.737 -0.962 1.459 624 HD1 TYR 78 HD1 TYR 78 12.812 0.333 3.225 625 HD2 TYR 78 HD2 TYR 78 15.042 2.206 0.130 626 HE1 TYR 78 HE1 TYR 78 11.990 2.522 3.970 627 HE2 TYR 78 HE2 TYR 78 14.227 4.403 0.869 628 HH TYR 78 HH TYR 78 12.547 4.819 3.839 629 H LYS 79 HN LYS 79 14.614 -2.658 2.480 630 HA LYS 79 HA LYS 79 15.803 -4.348 0.409 631 1HB LYS 79 HB2 LYS 79 15.477 -4.921 3.336 632 2HB LYS 79 HB3 LYS 79 15.350 -6.235 2.177 633 1HG LYS 79 HG2 LYS 79 17.707 -4.379 2.410 634 2HG LYS 79 HG3 LYS 79 17.609 -5.987 3.131 635 1HD LYS 79 HD2 LYS 79 17.608 -7.052 1.048 636 2HD LYS 79 HD3 LYS 79 17.164 -5.573 0.193 637 1HE LYS 79 HE2 LYS 79 19.785 -5.986 1.616 638 2HE LYS 79 HE3 LYS 79 19.542 -6.258 -0.109 639 1HZ LYS 79 HZ1 LYS 79 18.932 -3.669 1.190 640 2HZ LYS 79 HZ2 LYS 79 19.101 -3.987 -0.464 641 3HZ LYS 79 HZ3 LYS 79 20.460 -4.024 0.557 642 H LEU 80 HN LEU 80 14.348 -5.655 -0.627 643 HA LEU 80 HA LEU 80 11.569 -4.929 -0.221 644 1HB LEU 80 HB2 LEU 80 12.670 -4.993 -2.485 645 2HB LEU 80 HB3 LEU 80 12.738 -6.733 -2.330 646 HG LEU 80 HG LEU 80 10.828 -5.650 -3.694 647 1HD1 LEU 80 HD11 LEU 80 10.186 -7.733 -1.627 648 2HD1 LEU 80 HD12 LEU 80 9.311 -7.445 -3.131 649 3HD1 LEU 80 HD13 LEU 80 10.973 -8.033 -3.177 650 1HD2 LEU 80 HD21 LEU 80 10.134 -4.032 -2.044 651 2HD2 LEU 80 HD22 LEU 80 8.826 -5.162 -2.392 652 3HD2 LEU 80 HD23 LEU 80 9.762 -5.328 -0.908 653 H LYS 81 HN LYS 81 9.970 -6.291 0.325 654 HA LYS 81 HA LYS 81 10.716 -8.980 1.249 655 1HB LYS 81 HB2 LYS 81 10.713 -7.683 3.236 656 2HB LYS 81 HB3 LYS 81 9.269 -6.808 2.754 657 1HG LYS 81 HG2 LYS 81 7.981 -8.923 2.996 658 2HG LYS 81 HG3 LYS 81 9.443 -9.677 3.638 659 1HD LYS 81 HD2 LYS 81 9.465 -8.250 5.522 660 2HD LYS 81 HD3 LYS 81 8.268 -7.167 4.809 661 1HE LYS 81 HE2 LYS 81 7.235 -8.516 6.528 662 2HE LYS 81 HE3 LYS 81 6.596 -8.967 4.948 663 1HZ LYS 81 HZ1 LYS 81 8.721 -10.437 6.415 664 2HZ LYS 81 HZ2 LYS 81 8.032 -10.888 4.929 665 3HZ LYS 81 HZ3 LYS 81 7.091 -10.893 6.337 666 H LYS 82 HN LYS 82 9.601 -10.278 -0.049 667 HA LYS 82 HA LYS 82 7.011 -9.485 -1.063 668 1HB LYS 82 HB2 LYS 82 8.628 -12.015 -1.442 669 2HB LYS 82 HB3 LYS 82 7.135 -11.633 -2.295 670 1HG LYS 82 HG2 LYS 82 8.148 -9.755 -3.367 671 2HG LYS 82 HG3 LYS 82 9.611 -9.929 -2.398 672 1HD LYS 82 HD2 LYS 82 10.054 -12.093 -3.439 673 2HD LYS 82 HD3 LYS 82 8.584 -11.937 -4.398 674 1HE LYS 82 HE2 LYS 82 9.484 -9.976 -5.508 675 2HE LYS 82 HE3 LYS 82 10.924 -10.037 -4.496 676 1HZ LYS 82 HZ1 LYS 82 11.284 -10.968 -6.718 677 2HZ LYS 82 HZ2 LYS 82 10.113 -12.155 -6.421 678 3HZ LYS 82 HZ3 LYS 82 11.539 -12.122 -5.505 679 H SER 83 HN SER 83 5.180 -9.866 -0.039 680 HA SER 83 HA SER 83 4.971 -12.209 1.712 681 1HB SER 83 HB2 SER 83 3.774 -10.729 3.374 682 2HB SER 83 HB3 SER 83 5.497 -10.389 3.209 683 HG SER 83 HG SER 83 4.732 -8.408 2.958 684 H THR 84 HN THR 84 2.659 -12.641 2.310 685 HA THR 84 HA THR 84 0.710 -11.413 0.500 686 HB THR 84 HB THR 84 0.678 -14.393 0.988 687 HG1 THR 84 HG1 THR 84 2.350 -12.965 -0.612 688 1HG2 THR 84 HG21 THR 84 -0.742 -14.377 -1.035 689 2HG2 THR 84 HG22 THR 84 -0.625 -12.616 -1.084 690 3HG2 THR 84 HG23 THR 84 -1.430 -13.411 0.270 691 H ASN 85 HN ASN 85 -0.752 -10.517 1.812 692 HA ASN 85 HA ASN 85 -1.874 -12.005 4.024 693 1HB ASN 85 HB2 ASN 85 0.296 -10.649 4.741 694 2HB ASN 85 HB3 ASN 85 -0.842 -9.318 4.736 695 1HD2 ASN 85 HD21 ASN 85 0.570 -10.384 6.969 696 2HD2 ASN 85 HD22 ASN 85 -0.614 -10.957 8.097 697 H LYS 86 HN LYS 86 -3.810 -10.993 4.861 698 HA LYS 86 HA LYS 86 -5.197 -9.301 3.024 699 1HB LYS 86 HB2 LYS 86 -5.889 -9.792 5.922 700 2HB LYS 86 HB3 LYS 86 -6.982 -9.356 4.616 701 1HG LYS 86 HG2 LYS 86 -6.619 -11.552 3.588 702 2HG LYS 86 HG3 LYS 86 -5.551 -11.991 4.925 703 1HD LYS 86 HD2 LYS 86 -7.419 -11.605 6.484 704 2HD LYS 86 HD3 LYS 86 -8.457 -11.266 5.117 705 1HE LYS 86 HE2 LYS 86 -8.779 -13.536 5.911 706 2HE LYS 86 HE3 LYS 86 -8.102 -13.521 4.287 707 1HZ LYS 86 HZ1 LYS 86 -6.191 -14.443 4.969 708 2HZ LYS 86 HZ2 LYS 86 -7.142 -15.011 6.257 709 3HZ LYS 86 HZ3 LYS 86 -6.177 -13.628 6.458 710 H PHE 87 HN PHE 87 -6.166 -7.152 3.937 711 HA PHE 87 HA PHE 87 -4.547 -5.920 5.974 712 1HB PHE 87 HB2 PHE 87 -3.936 -3.947 4.551 713 2HB PHE 87 HB3 PHE 87 -3.084 -5.438 4.176 714 HD1 PHE 87 HD1 PHE 87 -2.985 -6.185 1.994 715 HD2 PHE 87 HD2 PHE 87 -5.988 -3.374 3.078 716 HE1 PHE 87 HE1 PHE 87 -3.598 -5.930 -0.371 717 HE2 PHE 87 HE2 PHE 87 -6.612 -3.124 0.711 718 HZ PHE 87 HZ PHE 87 -5.412 -4.405 -1.021 719 H CYS 88 HN CYS 88 -5.375 -4.043 6.823 720 HA CYS 88 HA CYS 88 -8.234 -3.682 6.307 721 1HB CYS 88 HB2 CYS 88 -7.434 -4.147 8.624 722 2HB CYS 88 HB3 CYS 88 -6.509 -2.650 8.576 723 H VAL 89 HN VAL 89 -8.916 -1.919 5.241 724 HA VAL 89 HA VAL 89 -7.092 0.388 5.080 725 HB VAL 89 HB VAL 89 -8.186 0.915 2.871 726 1HG1 VAL 89 HG11 VAL 89 -5.952 -0.035 3.002 727 2HG1 VAL 89 HG12 VAL 89 -6.631 -1.662 3.052 728 3HG1 VAL 89 HG13 VAL 89 -6.818 -0.673 1.603 729 1HG2 VAL 89 HG21 VAL 89 -9.278 -0.920 1.659 730 2HG2 VAL 89 HG22 VAL 89 -9.184 -1.927 3.105 731 3HG2 VAL 89 HG23 VAL 89 -10.181 -0.473 3.107 732 H THR 90 HN THR 90 -7.961 2.413 5.375 733 HA THR 90 HA THR 90 -10.546 2.519 6.642 734 HB THR 90 HB THR 90 -8.758 4.835 5.847 735 HG1 THR 90 HG1 THR 90 -8.846 3.263 8.232 736 1HG2 THR 90 HG21 THR 90 -9.952 6.028 7.647 737 2HG2 THR 90 HG22 THR 90 -10.981 4.616 7.886 738 3HG2 THR 90 HG23 THR 90 -11.044 5.505 6.364 739 H CYS 91 HN CYS 91 -12.267 2.334 5.338 740 HA CYS 91 HA CYS 91 -12.183 3.439 2.650 741 1HB CYS 91 HB2 CYS 91 -14.245 1.769 4.088 742 2HB CYS 91 HB3 CYS 91 -14.375 2.288 2.408 743 H GLU 92 HN GLU 92 -12.893 5.370 2.188 744 HA GLU 92 HA GLU 92 -15.213 6.442 3.595 745 1HB GLU 92 HB2 GLU 92 -12.882 7.212 4.542 746 2HB GLU 92 HB3 GLU 92 -12.879 8.235 3.122 747 1HG GLU 92 HG2 GLU 92 -15.059 9.160 3.853 748 2HG GLU 92 HG3 GLU 92 -14.884 8.240 5.342 749 H ASN 93 HN ASN 93 -16.580 7.380 2.193 750 HA ASN 93 HA ASN 93 -17.505 8.085 0.237 751 1HB ASN 93 HB2 ASN 93 -14.706 9.148 -0.116 752 2HB ASN 93 HB3 ASN 93 -15.948 9.384 -1.339 753 1HD2 ASN 93 HD21 ASN 93 -14.806 10.279 1.792 754 2HD2 ASN 93 HD22 ASN 93 -15.904 11.595 2.043 755 H GLN 94 HN GLN 94 -16.386 5.410 0.433 756 HA GLN 94 HA GLN 94 -16.263 3.555 -0.851 757 1HB GLN 94 HB2 GLN 94 -17.127 5.493 -2.977 758 2HB GLN 94 HB3 GLN 94 -16.781 3.809 -3.348 759 1HG GLN 94 HG2 GLN 94 -18.456 3.152 -1.647 760 2HG GLN 94 HG3 GLN 94 -18.856 4.852 -1.444 761 1HE2 GLN 94 HE21 GLN 94 -17.991 3.594 -4.549 762 2HE2 GLN 94 HE22 GLN 94 -19.572 3.674 -5.243 763 H ALA 95 HN ALA 95 -13.931 5.375 -0.448 764 HA ALA 95 HA ALA 95 -12.204 3.920 -2.306 765 1HB ALA 95 HB1 ALA 95 -12.521 6.135 -3.309 766 2HB ALA 95 HB2 ALA 95 -11.959 6.889 -1.817 767 3HB ALA 95 HB3 ALA 95 -10.858 5.898 -2.773 768 HA PRO 96 HA PRO 96 -9.829 3.334 1.458 769 1HB PRO 96 HB2 PRO 96 -7.622 2.714 -0.379 770 2HB PRO 96 HB3 PRO 96 -8.370 1.697 0.854 771 1HG PRO 96 HG2 PRO 96 -8.713 1.278 -1.796 772 2HG PRO 96 HG3 PRO 96 -9.949 0.884 -0.591 773 1HD PRO 96 HD2 PRO 96 -9.828 3.167 -2.489 774 2HD PRO 96 HD3 PRO 96 -11.232 2.276 -1.882 775 H VAL 97 HN VAL 97 -9.429 5.341 2.276 776 HA VAL 97 HA VAL 97 -7.584 7.080 0.804 777 HB VAL 97 HB VAL 97 -8.363 8.891 2.295 778 1HG1 VAL 97 HG11 VAL 97 -10.558 7.393 0.871 779 2HG1 VAL 97 HG12 VAL 97 -10.628 9.085 1.363 780 3HG1 VAL 97 HG13 VAL 97 -9.454 8.567 0.153 781 1HG2 VAL 97 HG21 VAL 97 -8.935 7.551 4.242 782 2HG2 VAL 97 HG22 VAL 97 -10.317 8.519 3.728 783 3HG2 VAL 97 HG23 VAL 97 -10.255 6.796 3.351 784 H HIS 98 HN HIS 98 -7.731 5.071 3.542 785 HA HIS 98 HA HIS 98 -5.081 6.007 4.339 786 1HB HIS 98 HB2 HIS 98 -7.476 5.794 6.135 787 2HB HIS 98 HB3 HIS 98 -5.860 5.537 6.778 788 HD1 HIS 98 HD1 HIS 98 -4.343 7.580 7.041 789 HD2 HIS 98 HD2 HIS 98 -8.059 8.461 5.395 790 HE1 HIS 98 HE1 HIS 98 -4.556 10.082 7.146 791 HE2 HIS 98 HE2 HIS 98 -6.874 10.579 6.305 792 H PHE 99 HN PHE 99 -3.762 4.424 5.227 793 HA PHE 99 HA PHE 99 -4.763 1.688 4.861 794 1HB PHE 99 HB2 PHE 99 -2.794 2.428 3.476 795 2HB PHE 99 HB3 PHE 99 -1.880 2.604 4.969 796 HD1 PHE 99 HD1 PHE 99 -0.720 0.788 5.845 797 HD2 PHE 99 HD2 PHE 99 -3.801 0.129 2.987 798 HE1 PHE 99 HE1 PHE 99 -0.102 -1.591 5.734 799 HE2 PHE 99 HE2 PHE 99 -3.197 -2.250 2.872 800 HZ PHE 99 HZ PHE 99 -1.343 -3.115 4.247 801 H VAL 100 HN VAL 100 -5.207 0.610 6.641 802 HA VAL 100 HA VAL 100 -4.427 1.629 9.220 803 HB VAL 100 HB VAL 100 -5.990 -0.849 8.471 804 1HG1 VAL 100 HG11 VAL 100 -5.591 0.467 11.153 805 2HG1 VAL 100 HG12 VAL 100 -6.765 -0.806 10.817 806 3HG1 VAL 100 HG13 VAL 100 -5.042 -1.136 10.659 807 1HG2 VAL 100 HG21 VAL 100 -7.958 0.471 9.150 808 2HG2 VAL 100 HG22 VAL 100 -6.918 1.879 9.367 809 3HG2 VAL 100 HG23 VAL 100 -7.124 1.172 7.764 810 H GLY 101 HN GLY 101 -4.241 -1.675 7.900 811 1HA GLY 101 HA1 GLY 101 -1.464 -1.956 8.060 812 2HA GLY 101 HA2 GLY 101 -2.142 -2.508 9.588 813 H VAL 102 HN VAL 102 -0.862 -4.396 8.280 814 HA VAL 102 HA VAL 102 -2.768 -5.750 6.536 815 HB VAL 102 HB VAL 102 -1.074 -7.063 5.710 816 1HG1 VAL 102 HG11 VAL 102 -0.716 -4.750 5.080 817 2HG1 VAL 102 HG12 VAL 102 0.320 -4.516 6.488 818 3HG1 VAL 102 HG13 VAL 102 0.819 -5.612 5.201 819 1HG2 VAL 102 HG21 VAL 102 -0.293 -7.925 7.873 820 2HG2 VAL 102 HG22 VAL 102 1.035 -7.555 6.772 821 3HG2 VAL 102 HG23 VAL 102 0.653 -6.452 8.096 822 H GLY 103 HN GLY 103 -3.296 -7.963 6.848 823 1HA GLY 103 HA1 GLY 103 -3.464 -9.915 8.188 824 2HA GLY 103 HA2 GLY 103 -2.956 -8.979 9.585 825 H SER 104 HN SER 104 -4.519 -7.192 10.202 826 HA SER 104 HA SER 104 -7.303 -7.649 9.566 827 1HB SER 104 HB2 SER 104 -6.214 -8.125 12.353 828 2HB SER 104 HB3 SER 104 -7.919 -8.026 11.939 829 HG SER 104 HG SER 104 -6.717 -9.799 10.329 830 H CYS 105 HN CYS 105 -8.637 -6.165 11.147 831 HA CYS 105 HA CYS 105 -7.372 -3.538 11.109 832 1HB CYS 105 HB2 CYS 105 -10.172 -4.396 11.890 833 2HB CYS 105 HB3 CYS 105 -9.626 -2.728 11.773 Start of MODEL 9 1 1H MET 1 H1 MET 1 -7.094 15.522 5.362 2 2H MET 1 H2 MET 1 -6.267 14.263 6.138 3 3H MET 1 H3 MET 1 -7.593 13.919 5.136 4 HA MET 1 HA MET 1 -6.368 14.811 3.231 5 1HB MET 1 HB2 MET 1 -4.059 14.816 5.190 6 2HB MET 1 HB3 MET 1 -3.928 15.090 3.459 7 1HG MET 1 HG2 MET 1 -5.442 17.072 3.771 8 2HG MET 1 HG3 MET 1 -5.249 16.844 5.508 9 1HE MET 1 HE1 MET 1 -2.767 16.849 6.683 10 2HE MET 1 HE2 MET 1 -2.169 15.745 5.443 11 3HE MET 1 HE3 MET 1 -1.296 17.237 5.793 12 H GLN 2 HN GLN 2 -4.281 13.471 2.364 13 HA GLN 2 HA GLN 2 -3.732 11.454 1.516 14 1HB GLN 2 HB2 GLN 2 -4.353 10.626 4.337 15 2HB GLN 2 HB3 GLN 2 -3.939 9.433 3.114 16 1HG GLN 2 HG2 GLN 2 -1.811 10.589 2.727 17 2HG GLN 2 HG3 GLN 2 -2.229 11.751 3.986 18 1HE2 GLN 2 HE21 GLN 2 -2.096 11.164 6.122 19 2HE2 GLN 2 HE22 GLN 2 -1.350 9.690 6.642 20 H ASP 3 HN ASP 3 -4.904 10.668 -0.047 21 HA ASP 3 HA ASP 3 -7.591 9.642 0.500 22 1HB ASP 3 HB2 ASP 3 -6.969 11.538 -1.745 23 2HB ASP 3 HB3 ASP 3 -8.535 10.836 -1.387 24 H TRP 4 HN TRP 4 -8.374 9.036 -2.020 25 HA TRP 4 HA TRP 4 -7.206 6.584 -2.454 26 1HB TRP 4 HB2 TRP 4 -9.411 7.147 -3.290 27 2HB TRP 4 HB3 TRP 4 -8.725 8.322 -4.405 28 HD1 TRP 4 HD1 TRP 4 -8.967 7.391 -6.757 29 HE1 TRP 4 HE1 TRP 4 -8.583 5.122 -7.904 30 HE3 TRP 4 HE3 TRP 4 -7.697 4.630 -2.653 31 HZ2 TRP 4 HZ2 TRP 4 -7.826 2.505 -7.158 32 HZ3 TRP 4 HZ3 TRP 4 -7.162 2.248 -2.948 33 HH2 TRP 4 HH2 TRP 4 -7.217 1.209 -5.160 34 H LEU 5 HN LEU 5 -6.531 9.601 -4.242 35 HA LEU 5 HA LEU 5 -4.714 8.471 -6.062 36 1HB LEU 5 HB2 LEU 5 -5.076 11.277 -5.043 37 2HB LEU 5 HB3 LEU 5 -3.851 10.873 -6.227 38 HG LEU 5 HG LEU 5 -5.760 11.779 -7.359 39 1HD1 LEU 5 HD11 LEU 5 -6.316 9.944 -8.880 40 2HD1 LEU 5 HD12 LEU 5 -4.593 10.003 -8.511 41 3HD1 LEU 5 HD13 LEU 5 -5.619 8.797 -7.735 42 1HD2 LEU 5 HD21 LEU 5 -7.480 11.355 -5.703 43 2HD2 LEU 5 HD22 LEU 5 -7.969 10.723 -7.275 44 3HD2 LEU 5 HD23 LEU 5 -7.387 9.624 -6.025 45 H THR 6 HN THR 6 -4.217 10.019 -2.923 46 HA THR 6 HA THR 6 -1.402 9.818 -2.879 47 HB THR 6 HB THR 6 -3.245 9.787 -0.485 48 HG1 THR 6 HG1 THR 6 -2.262 12.031 -1.966 49 1HG2 THR 6 HG21 THR 6 -0.882 9.398 0.013 50 2HG2 THR 6 HG22 THR 6 -1.398 10.977 0.608 51 3HG2 THR 6 HG23 THR 6 -0.449 10.859 -0.874 52 H PHE 7 HN PHE 7 -4.003 7.711 -1.792 53 HA PHE 7 HA PHE 7 -2.470 5.764 -0.476 54 1HB PHE 7 HB2 PHE 7 -4.965 6.025 -0.358 55 2HB PHE 7 HB3 PHE 7 -5.068 5.343 -1.977 56 HD1 PHE 7 HD1 PHE 7 -4.698 4.665 1.534 57 HD2 PHE 7 HD2 PHE 7 -4.381 2.978 -2.359 58 HE1 PHE 7 HE1 PHE 7 -4.750 2.406 2.512 59 HE2 PHE 7 HE2 PHE 7 -4.437 0.718 -1.391 60 HZ PHE 7 HZ PHE 7 -4.619 0.430 1.047 61 H GLN 8 HN GLN 8 -3.600 5.996 -3.825 62 HA GLN 8 HA GLN 8 -2.680 3.575 -4.796 63 1HB GLN 8 HB2 GLN 8 -3.140 6.253 -6.023 64 2HB GLN 8 HB3 GLN 8 -2.387 4.980 -6.957 65 1HG GLN 8 HG2 GLN 8 -4.357 3.541 -6.462 66 2HG GLN 8 HG3 GLN 8 -5.113 4.943 -5.702 67 1HE2 GLN 8 HE21 GLN 8 -5.743 6.687 -6.992 68 2HE2 GLN 8 HE22 GLN 8 -5.926 6.537 -8.702 69 H LYS 9 HN LYS 9 -1.064 6.720 -5.092 70 HA LYS 9 HA LYS 9 1.232 5.817 -6.344 71 1HB LYS 9 HB2 LYS 9 0.818 8.172 -4.509 72 2HB LYS 9 HB3 LYS 9 2.253 7.936 -5.504 73 1HG LYS 9 HG2 LYS 9 1.027 8.172 -7.502 74 2HG LYS 9 HG3 LYS 9 -0.517 8.024 -6.663 75 1HD LYS 9 HD2 LYS 9 -0.120 10.332 -7.259 76 2HD LYS 9 HD3 LYS 9 -0.061 10.142 -5.508 77 1HE LYS 9 HE2 LYS 9 1.722 11.604 -6.279 78 2HE LYS 9 HE3 LYS 9 2.379 10.122 -5.588 79 1HZ LYS 9 HZ1 LYS 9 2.830 9.276 -7.749 80 2HZ LYS 9 HZ2 LYS 9 3.451 10.855 -7.691 81 3HZ LYS 9 HZ3 LYS 9 1.997 10.547 -8.503 82 H LYS 10 HN LYS 10 0.350 5.722 -2.998 83 HA LYS 10 HA LYS 10 3.078 5.124 -2.148 84 1HB LYS 10 HB2 LYS 10 0.510 5.592 -0.656 85 2HB LYS 10 HB3 LYS 10 1.940 4.965 0.147 86 1HG LYS 10 HG2 LYS 10 3.170 6.967 -0.374 87 2HG LYS 10 HG3 LYS 10 1.819 7.587 -1.330 88 1HD LYS 10 HD2 LYS 10 0.420 7.679 0.653 89 2HD LYS 10 HD3 LYS 10 1.705 6.960 1.622 90 1HE LYS 10 HE2 LYS 10 1.978 9.587 0.172 91 2HE LYS 10 HE3 LYS 10 1.446 9.449 1.847 92 1HZ LYS 10 HZ1 LYS 10 3.758 9.891 1.861 93 2HZ LYS 10 HZ2 LYS 10 4.082 8.686 0.720 94 3HZ LYS 10 HZ3 LYS 10 3.584 8.255 2.285 95 H HIS 11 HN HIS 11 0.044 3.391 -2.683 96 HA HIS 11 HA HIS 11 1.310 1.056 -1.392 97 1HB HIS 11 HB2 HIS 11 -1.594 1.850 -1.162 98 2HB HIS 11 HB3 HIS 11 -0.880 0.387 -0.499 99 HD1 HIS 11 HD1 HIS 11 1.103 0.882 1.345 100 HD2 HIS 11 HD2 HIS 11 -1.580 3.962 0.540 101 HE1 HIS 11 HE1 HIS 11 1.302 2.482 3.279 102 HE2 HIS 11 HE2 HIS 11 -0.391 4.297 2.820 103 H ILE 12 HN ILE 12 0.168 2.129 -4.294 104 HA ILE 12 HA ILE 12 -0.782 -0.558 -5.034 105 HB ILE 12 HB ILE 12 -1.224 2.070 -6.465 106 1HG1 ILE 12 HG12 ILE 12 -2.566 1.839 -4.435 107 2HG1 ILE 12 HG13 ILE 12 -3.587 1.734 -5.861 108 1HG2 ILE 12 HG21 ILE 12 -2.692 0.810 -7.971 109 2HG2 ILE 12 HG22 ILE 12 -1.023 0.246 -8.062 110 3HG2 ILE 12 HG23 ILE 12 -2.221 -0.688 -7.168 111 1HD1 ILE 12 HD11 ILE 12 -3.676 -0.683 -5.625 112 2HD1 ILE 12 HD12 ILE 12 -2.616 -0.592 -4.219 113 3HD1 ILE 12 HD13 ILE 12 -4.228 0.119 -4.154 114 H THR 13 HN THR 13 0.611 -1.798 -6.068 115 HA THR 13 HA THR 13 2.475 -0.538 -7.950 116 HB THR 13 HB THR 13 3.758 -1.089 -5.915 117 HG1 THR 13 HG1 THR 13 5.237 -2.646 -7.070 118 1HG2 THR 13 HG21 THR 13 4.122 -3.434 -5.286 119 2HG2 THR 13 HG22 THR 13 2.912 -3.934 -6.473 120 3HG2 THR 13 HG23 THR 13 2.434 -2.957 -5.082 121 H ASN 14 HN ASN 14 3.130 -1.898 -9.684 122 HA ASN 14 HA ASN 14 1.166 -4.016 -10.248 123 1HB ASN 14 HB2 ASN 14 1.501 -3.527 -12.614 124 2HB ASN 14 HB3 ASN 14 1.085 -2.045 -11.760 125 1HD2 ASN 14 HD21 ASN 14 2.462 -2.431 -14.297 126 2HD2 ASN 14 HD22 ASN 14 3.989 -1.634 -14.134 127 H THR 15 HN THR 15 4.010 -3.895 -8.994 128 HA THR 15 HA THR 15 4.974 -6.275 -10.409 129 HB THR 15 HB THR 15 6.390 -4.512 -11.232 130 HG1 THR 15 HG1 THR 15 8.396 -5.201 -9.754 131 1HG2 THR 15 HG21 THR 15 7.701 -3.063 -9.749 132 2HG2 THR 15 HG22 THR 15 6.897 -3.773 -8.348 133 3HG2 THR 15 HG23 THR 15 5.969 -2.828 -9.514 134 H ARG 16 HN ARG 16 5.900 -7.848 -9.089 135 HA ARG 16 HA ARG 16 5.234 -7.760 -6.312 136 1HB ARG 16 HB2 ARG 16 6.811 -9.701 -7.994 137 2HB ARG 16 HB3 ARG 16 6.638 -9.905 -6.256 138 1HG ARG 16 HG2 ARG 16 4.318 -9.690 -8.154 139 2HG ARG 16 HG3 ARG 16 5.030 -11.218 -7.628 140 1HD ARG 16 HD2 ARG 16 3.981 -9.138 -5.720 141 2HD ARG 16 HD3 ARG 16 2.993 -10.458 -6.344 142 HE ARG 16 HE ARG 16 4.861 -11.916 -5.334 143 1HH1 ARG 16 HH12 ARG 16 3.841 -8.840 -4.008 144 2HH1 ARG 16 HH11 ARG 16 4.134 -9.299 -2.361 145 1HH2 ARG 16 HH22 ARG 16 5.251 -12.545 -3.167 146 2HH2 ARG 16 HH21 ARG 16 4.922 -11.418 -1.883 147 H ASP 17 HN ASP 17 8.100 -7.199 -8.205 148 HA ASP 17 HA ASP 17 9.576 -6.525 -5.783 149 1HB ASP 17 HB2 ASP 17 11.514 -6.392 -7.437 150 2HB ASP 17 HB3 ASP 17 10.875 -7.990 -7.093 151 H VAL 18 HN VAL 18 8.598 -4.566 -5.353 152 HA VAL 18 HA VAL 18 8.575 -2.470 -7.325 153 HB VAL 18 HB VAL 18 6.792 -2.269 -5.822 154 1HG1 VAL 18 HG11 VAL 18 7.101 -2.177 -3.340 155 2HG1 VAL 18 HG12 VAL 18 7.425 -3.751 -4.073 156 3HG1 VAL 18 HG13 VAL 18 8.765 -2.708 -3.593 157 1HG2 VAL 18 HG21 VAL 18 7.775 -0.119 -6.216 158 2HG2 VAL 18 HG22 VAL 18 7.224 -0.189 -4.541 159 3HG2 VAL 18 HG23 VAL 18 8.941 -0.365 -4.914 160 H ASP 19 HN ASP 19 10.005 -0.806 -7.537 161 HA ASP 19 HA ASP 19 12.632 -1.221 -6.585 162 1HB ASP 19 HB2 ASP 19 11.534 1.237 -7.946 163 2HB ASP 19 HB3 ASP 19 13.191 0.672 -7.929 164 H CYS 20 HN CYS 20 11.957 -1.133 -4.253 165 HA CYS 20 HA CYS 20 11.055 1.087 -2.907 166 1HB CYS 20 HB2 CYS 20 13.302 -0.556 -1.775 167 2HB CYS 20 HB3 CYS 20 11.904 0.134 -0.954 168 H ASP 21 HN ASP 21 14.411 0.308 -3.720 169 HA ASP 21 HA ASP 21 15.745 2.339 -2.436 170 1HB ASP 21 HB2 ASP 21 16.855 0.466 -3.547 171 2HB ASP 21 HB3 ASP 21 16.406 1.112 -5.120 172 H ASN 22 HN ASN 22 14.165 2.480 -5.598 173 HA ASN 22 HA ASN 22 15.131 5.212 -5.977 174 1HB ASN 22 HB2 ASN 22 15.198 3.398 -7.797 175 2HB ASN 22 HB3 ASN 22 13.460 3.629 -7.922 176 1HD2 ASN 22 HD21 ASN 22 15.563 4.097 -9.882 177 2HD2 ASN 22 HD22 ASN 22 15.426 5.758 -10.344 178 H ILE 23 HN ILE 23 12.082 3.414 -5.912 179 HA ILE 23 HA ILE 23 10.418 5.620 -6.414 180 HB ILE 23 HB ILE 23 9.801 2.989 -5.064 181 1HG1 ILE 23 HG12 ILE 23 9.377 3.987 -7.890 182 2HG1 ILE 23 HG13 ILE 23 10.574 2.805 -7.380 183 1HG2 ILE 23 HG21 ILE 23 8.136 4.657 -4.417 184 2HG2 ILE 23 HG22 ILE 23 7.874 5.062 -6.113 185 3HG2 ILE 23 HG23 ILE 23 7.442 3.460 -5.511 186 1HD1 ILE 23 HD11 ILE 23 8.802 1.261 -6.764 187 2HD1 ILE 23 HD12 ILE 23 7.591 2.452 -7.246 188 3HD1 ILE 23 HD13 ILE 23 8.667 1.751 -8.453 189 H LEU 24 HN LEU 24 11.699 4.311 -3.384 190 HA LEU 24 HA LEU 24 9.938 5.943 -1.786 191 1HB LEU 24 HB2 LEU 24 12.390 4.458 -0.866 192 2HB LEU 24 HB3 LEU 24 11.077 5.049 0.131 193 HG LEU 24 HG LEU 24 10.951 2.783 -1.856 194 1HD1 LEU 24 HD11 LEU 24 10.491 1.421 0.103 195 2HD1 LEU 24 HD12 LEU 24 12.056 2.226 0.233 196 3HD1 LEU 24 HD13 LEU 24 10.670 2.840 1.136 197 1HD2 LEU 24 HD21 LEU 24 8.666 2.446 -1.034 198 2HD2 LEU 24 HD22 LEU 24 8.770 3.974 -0.160 199 3HD2 LEU 24 HD23 LEU 24 8.854 3.960 -1.924 200 H SER 25 HN SER 25 12.770 6.525 -3.473 201 HA SER 25 HA SER 25 13.884 8.442 -1.620 202 1HB SER 25 HB2 SER 25 14.588 7.715 -4.465 203 2HB SER 25 HB3 SER 25 15.434 8.957 -3.545 204 HG SER 25 HG SER 25 15.430 6.172 -3.216 205 H THR 26 HN THR 26 11.244 8.495 -3.561 206 HA THR 26 HA THR 26 11.477 11.194 -4.552 207 HB THR 26 HB THR 26 9.101 10.941 -5.183 208 HG1 THR 26 HG1 THR 26 9.115 8.236 -4.428 209 1HG2 THR 26 HG21 THR 26 10.794 8.553 -5.932 210 2HG2 THR 26 HG22 THR 26 10.848 10.139 -6.704 211 3HG2 THR 26 HG23 THR 26 9.394 9.150 -6.822 212 H ASN 27 HN ASN 27 9.753 12.825 -3.920 213 HA ASN 27 HA ASN 27 9.821 13.209 -1.088 214 1HB ASN 27 HB2 ASN 27 9.803 15.075 -2.762 215 2HB ASN 27 HB3 ASN 27 8.122 14.690 -3.111 216 1HD2 ASN 27 HD21 ASN 27 6.539 15.343 -1.721 217 2HD2 ASN 27 HD22 ASN 27 6.841 16.329 -0.328 218 H LEU 28 HN LEU 28 7.817 11.509 -3.178 219 HA LEU 28 HA LEU 28 5.333 11.578 -1.860 220 1HB LEU 28 HB2 LEU 28 5.621 10.737 -4.124 221 2HB LEU 28 HB3 LEU 28 6.636 9.436 -3.540 222 HG LEU 28 HG LEU 28 4.679 8.513 -2.314 223 1HD1 LEU 28 HD11 LEU 28 2.448 9.319 -2.902 224 2HD1 LEU 28 HD12 LEU 28 3.387 10.560 -2.075 225 3HD1 LEU 28 HD13 LEU 28 3.167 10.639 -3.823 226 1HD2 LEU 28 HD21 LEU 28 3.561 7.652 -4.322 227 2HD2 LEU 28 HD22 LEU 28 4.360 8.892 -5.288 228 3HD2 LEU 28 HD23 LEU 28 5.316 7.645 -4.487 229 H PHE 29 HN PHE 29 8.311 9.970 -1.122 230 HA PHE 29 HA PHE 29 6.971 8.672 1.157 231 1HB PHE 29 HB2 PHE 29 9.331 7.609 -0.407 232 2HB PHE 29 HB3 PHE 29 8.668 6.877 1.051 233 HD1 PHE 29 HD1 PHE 29 8.347 7.236 -2.518 234 HD2 PHE 29 HD2 PHE 29 6.371 5.946 1.017 235 HE1 PHE 29 HE1 PHE 29 6.771 5.931 -3.880 236 HE2 PHE 29 HE2 PHE 29 4.788 4.642 -0.336 237 HZ PHE 29 HZ PHE 29 4.962 4.681 -2.807 238 H HIS 30 HN HIS 30 9.832 10.273 -0.083 239 HA HIS 30 HA HIS 30 11.404 11.582 0.892 240 1HB HIS 30 HB2 HIS 30 9.153 12.346 2.083 241 2HB HIS 30 HB3 HIS 30 9.932 11.643 3.495 242 HD1 HIS 30 HD1 HIS 30 10.600 13.667 4.791 243 HD2 HIS 30 HD2 HIS 30 11.654 13.938 0.775 244 HE1 HIS 30 HE1 HIS 30 11.954 15.781 4.584 245 HE2 HIS 30 HE2 HIS 30 12.437 16.008 2.113 246 H CYS 31 HN CYS 31 11.617 8.765 1.004 247 HA CYS 31 HA CYS 31 12.619 7.011 1.993 248 1HB CYS 31 HB2 CYS 31 14.370 9.150 3.221 249 2HB CYS 31 HB3 CYS 31 14.756 7.444 3.097 250 H LYS 32 HN LYS 32 10.340 7.397 3.252 251 HA LYS 32 HA LYS 32 10.447 7.600 6.058 252 1HB LYS 32 HB2 LYS 32 8.262 6.787 6.066 253 2HB LYS 32 HB3 LYS 32 8.395 7.513 4.473 254 1HG LYS 32 HG2 LYS 32 8.683 4.573 5.075 255 2HG LYS 32 HG3 LYS 32 7.239 5.357 4.445 256 1HD LYS 32 HD2 LYS 32 8.158 5.703 2.367 257 2HD LYS 32 HD3 LYS 32 9.814 5.673 2.980 258 1HE LYS 32 HE2 LYS 32 7.981 3.292 2.779 259 2HE LYS 32 HE3 LYS 32 9.274 3.685 1.646 260 1HZ LYS 32 HZ1 LYS 32 9.587 3.029 4.523 261 2HZ LYS 32 HZ2 LYS 32 10.848 3.532 3.517 262 3HZ LYS 32 HZ3 LYS 32 10.055 2.064 3.214 263 H ASP 33 HN ASP 33 9.868 5.591 7.490 264 HA ASP 33 HA ASP 33 12.160 3.925 7.419 265 1HB ASP 33 HB2 ASP 33 11.282 2.870 9.406 266 2HB ASP 33 HB3 ASP 33 11.008 4.602 9.517 267 H LYS 34 HN LYS 34 8.696 3.115 6.954 268 HA LYS 34 HA LYS 34 9.515 0.987 5.135 269 1HB LYS 34 HB2 LYS 34 8.006 -0.659 6.333 270 2HB LYS 34 HB3 LYS 34 9.543 -0.296 7.097 271 1HG LYS 34 HG2 LYS 34 7.962 -0.374 8.824 272 2HG LYS 34 HG3 LYS 34 8.295 1.335 8.560 273 1HD LYS 34 HD2 LYS 34 6.238 1.536 7.259 274 2HD LYS 34 HD3 LYS 34 5.915 -0.183 7.493 275 1HE LYS 34 HE2 LYS 34 4.606 1.125 9.054 276 2HE LYS 34 HE3 LYS 34 5.820 0.186 9.924 277 1HZ LYS 34 HZ1 LYS 34 6.023 3.067 9.225 278 2HZ LYS 34 HZ2 LYS 34 7.201 2.176 10.059 279 3HZ LYS 34 HZ3 LYS 34 5.678 2.442 10.762 280 H ASN 35 HN ASN 35 7.646 -0.063 4.063 281 HA ASN 35 HA ASN 35 5.091 1.243 4.125 282 1HB ASN 35 HB2 ASN 35 6.406 2.868 2.755 283 2HB ASN 35 HB3 ASN 35 6.781 1.567 1.632 284 1HD2 ASN 35 HD21 ASN 35 5.752 2.443 -0.097 285 2HD2 ASN 35 HD22 ASN 35 4.034 2.605 -0.208 286 H THR 36 HN THR 36 3.561 -0.134 3.383 287 HA THR 36 HA THR 36 4.485 -2.607 2.113 288 HB THR 36 HB THR 36 1.769 -2.076 3.330 289 HG1 THR 36 HG1 THR 36 4.233 -2.793 4.497 290 1HG2 THR 36 HG21 THR 36 3.239 -4.639 2.701 291 2HG2 THR 36 HG22 THR 36 1.890 -3.973 1.780 292 3HG2 THR 36 HG23 THR 36 1.641 -4.517 3.440 293 H PHE 37 HN PHE 37 4.300 -2.687 -0.027 294 HA PHE 37 HA PHE 37 2.235 -1.111 -1.376 295 1HB PHE 37 HB2 PHE 37 4.530 -2.736 -2.502 296 2HB PHE 37 HB3 PHE 37 3.402 -1.784 -3.457 297 HD1 PHE 37 HD1 PHE 37 6.106 -1.571 -0.934 298 HD2 PHE 37 HD2 PHE 37 3.712 0.528 -3.765 299 HE1 PHE 37 HE1 PHE 37 7.527 0.408 -0.665 300 HE2 PHE 37 HE2 PHE 37 5.152 2.507 -3.511 301 HZ PHE 37 HZ PHE 37 7.168 2.370 -2.080 302 H ILE 38 HN ILE 38 0.741 -2.035 -2.767 303 HA ILE 38 HA ILE 38 0.144 -4.861 -2.209 304 HB ILE 38 HB ILE 38 -1.715 -2.677 -3.177 305 1HG1 ILE 38 HG12 ILE 38 -1.652 -3.915 -0.427 306 2HG1 ILE 38 HG13 ILE 38 -0.764 -2.446 -0.815 307 1HG2 ILE 38 HG21 ILE 38 -3.502 -4.250 -2.681 308 2HG2 ILE 38 HG22 ILE 38 -2.382 -4.939 -3.854 309 3HG2 ILE 38 HG23 ILE 38 -2.322 -5.457 -2.169 310 1HD1 ILE 38 HD11 ILE 38 -2.892 -1.962 0.249 311 2HD1 ILE 38 HD12 ILE 38 -2.842 -1.331 -1.397 312 3HD1 ILE 38 HD13 ILE 38 -3.741 -2.806 -1.045 313 H TYR 39 HN TYR 39 0.684 -6.186 -3.839 314 HA TYR 39 HA TYR 39 0.854 -5.226 -6.558 315 1HB TYR 39 HB2 TYR 39 2.479 -6.876 -5.872 316 2HB TYR 39 HB3 TYR 39 1.210 -7.984 -5.368 317 HD1 TYR 39 HD1 TYR 39 2.289 -6.141 -8.447 318 HD2 TYR 39 HD2 TYR 39 0.695 -9.716 -6.785 319 HE1 TYR 39 HE1 TYR 39 2.337 -7.192 -10.672 320 HE2 TYR 39 HE2 TYR 39 0.733 -10.773 -9.002 321 HH TYR 39 HH TYR 39 0.911 -10.353 -11.246 322 H SER 40 HN SER 40 -1.161 -4.566 -7.027 323 HA SER 40 HA SER 40 -2.967 -6.416 -8.142 324 1HB SER 40 HB2 SER 40 -3.570 -6.826 -5.766 325 2HB SER 40 HB3 SER 40 -3.872 -5.104 -5.548 326 HG SER 40 HG SER 40 -5.596 -5.252 -6.971 327 H ARG 41 HN ARG 41 -4.701 -5.256 -9.262 328 HA ARG 41 HA ARG 41 -3.905 -2.627 -9.991 329 1HB ARG 41 HB2 ARG 41 -6.351 -4.232 -10.639 330 2HB ARG 41 HB3 ARG 41 -6.147 -2.588 -11.194 331 1HG ARG 41 HG2 ARG 41 -4.246 -4.834 -11.786 332 2HG ARG 41 HG3 ARG 41 -5.506 -4.261 -12.882 333 1HD ARG 41 HD2 ARG 41 -4.485 -2.024 -12.837 334 2HD ARG 41 HD3 ARG 41 -3.202 -2.645 -11.802 335 HE ARG 41 HE ARG 41 -2.827 -4.241 -13.806 336 1HH1 ARG 41 HH12 ARG 41 -3.858 -0.904 -14.006 337 2HH1 ARG 41 HH11 ARG 41 -3.091 -0.616 -15.541 338 1HH2 ARG 41 HH22 ARG 41 -1.804 -3.884 -15.801 339 2HH2 ARG 41 HH21 ARG 41 -1.883 -2.316 -16.551 340 HA PRO 42 HA PRO 42 -5.849 -0.003 -7.107 341 1HB PRO 42 HB2 PRO 42 -6.815 1.877 -8.941 342 2HB PRO 42 HB3 PRO 42 -5.225 1.889 -8.177 343 1HG PRO 42 HG2 PRO 42 -6.023 1.006 -10.886 344 2HG PRO 42 HG3 PRO 42 -4.496 1.697 -10.331 345 1HD PRO 42 HD2 PRO 42 -4.821 -0.945 -10.907 346 2HD PRO 42 HD3 PRO 42 -3.659 -0.339 -9.702 347 H GLU 43 HN GLU 43 -7.683 -0.979 -9.989 348 HA GLU 43 HA GLU 43 -10.193 -0.110 -9.046 349 1HB GLU 43 HB2 GLU 43 -9.620 -2.352 -10.983 350 2HB GLU 43 HB3 GLU 43 -11.164 -1.572 -10.751 351 1HG GLU 43 HG2 GLU 43 -10.493 -0.434 -12.579 352 2HG GLU 43 HG3 GLU 43 -9.727 0.579 -11.356 353 HA PRO 44 HA PRO 44 -10.688 -4.817 -7.502 354 1HB PRO 44 HB2 PRO 44 -7.856 -5.248 -7.022 355 2HB PRO 44 HB3 PRO 44 -9.079 -6.384 -7.524 356 1HG PRO 44 HG2 PRO 44 -7.245 -5.396 -9.227 357 2HG PRO 44 HG3 PRO 44 -8.885 -5.852 -9.728 358 1HD PRO 44 HD2 PRO 44 -7.697 -3.205 -9.380 359 2HD PRO 44 HD3 PRO 44 -9.059 -3.689 -10.382 360 H VAL 45 HN VAL 45 -8.250 -2.520 -6.448 361 HA VAL 45 HA VAL 45 -8.517 -3.338 -3.670 362 HB VAL 45 HB VAL 45 -6.866 -1.123 -4.915 363 1HG1 VAL 45 HG11 VAL 45 -5.693 -1.032 -2.761 364 2HG1 VAL 45 HG12 VAL 45 -7.394 -0.597 -2.597 365 3HG1 VAL 45 HG13 VAL 45 -6.839 -2.193 -2.093 366 1HG2 VAL 45 HG21 VAL 45 -6.137 -3.346 -5.590 367 2HG2 VAL 45 HG22 VAL 45 -4.966 -2.613 -4.492 368 3HG2 VAL 45 HG23 VAL 45 -6.074 -3.850 -3.902 369 H LYS 46 HN LYS 46 -9.385 -0.603 -5.739 370 HA LYS 46 HA LYS 46 -10.672 0.887 -3.681 371 1HB LYS 46 HB2 LYS 46 -9.970 1.760 -5.958 372 2HB LYS 46 HB3 LYS 46 -11.356 0.912 -6.626 373 1HG LYS 46 HG2 LYS 46 -12.856 2.253 -5.248 374 2HG LYS 46 HG3 LYS 46 -11.468 3.097 -4.556 375 1HD LYS 46 HD2 LYS 46 -10.850 3.818 -6.858 376 2HD LYS 46 HD3 LYS 46 -12.369 3.123 -7.430 377 1HE LYS 46 HE2 LYS 46 -12.104 5.291 -5.353 378 2HE LYS 46 HE3 LYS 46 -12.533 5.543 -7.042 379 1HZ LYS 46 HZ1 LYS 46 -14.478 5.518 -5.611 380 2HZ LYS 46 HZ2 LYS 46 -14.106 3.948 -5.088 381 3HZ LYS 46 HZ3 LYS 46 -14.523 4.227 -6.709 382 H ALA 47 HN ALA 47 -11.467 -1.867 -5.561 383 HA ALA 47 HA ALA 47 -14.270 -1.868 -5.349 384 1HB ALA 47 HB1 ALA 47 -14.063 -4.303 -5.782 385 2HB ALA 47 HB2 ALA 47 -13.135 -3.314 -6.913 386 3HB ALA 47 HB3 ALA 47 -12.312 -4.153 -5.596 387 H ILE 48 HN ILE 48 -11.755 -2.630 -3.092 388 HA ILE 48 HA ILE 48 -13.243 -4.192 -1.267 389 HB ILE 48 HB ILE 48 -10.904 -2.365 -0.666 390 1HG1 ILE 48 HG12 ILE 48 -10.884 -5.312 -1.365 391 2HG1 ILE 48 HG13 ILE 48 -10.512 -4.030 -2.514 392 1HG2 ILE 48 HG21 ILE 48 -11.933 -4.798 0.795 393 2HG2 ILE 48 HG22 ILE 48 -10.513 -3.848 1.231 394 3HG2 ILE 48 HG23 ILE 48 -12.120 -3.127 1.324 395 1HD1 ILE 48 HD11 ILE 48 -8.997 -4.645 0.009 396 2HD1 ILE 48 HD12 ILE 48 -8.494 -5.039 -1.636 397 3HD1 ILE 48 HD13 ILE 48 -8.620 -3.353 -1.132 398 H CYS 49 HN CYS 49 -12.951 -0.762 -1.830 399 HA CYS 49 HA CYS 49 -14.496 -0.187 0.591 400 1HB CYS 49 HB2 CYS 49 -12.889 1.618 -1.221 401 2HB CYS 49 HB3 CYS 49 -13.768 2.152 0.211 402 H LYS 50 HN LYS 50 -15.338 -1.100 -2.278 403 HA LYS 50 HA LYS 50 -16.934 0.941 -3.383 404 1HB LYS 50 HB2 LYS 50 -16.313 -1.094 -4.612 405 2HB LYS 50 HB3 LYS 50 -17.310 -2.058 -3.531 406 1HG LYS 50 HG2 LYS 50 -19.300 -0.857 -4.315 407 2HG LYS 50 HG3 LYS 50 -18.290 0.081 -5.415 408 1HD LYS 50 HD2 LYS 50 -18.509 -2.926 -5.459 409 2HD LYS 50 HD3 LYS 50 -19.452 -1.848 -6.488 410 1HE LYS 50 HE2 LYS 50 -16.438 -1.918 -6.417 411 2HE LYS 50 HE3 LYS 50 -17.421 -2.805 -7.582 412 1HZ LYS 50 HZ1 LYS 50 -18.330 -0.707 -8.361 413 2HZ LYS 50 HZ2 LYS 50 -16.640 -0.715 -8.503 414 3HZ LYS 50 HZ3 LYS 50 -17.383 0.150 -7.249 415 H GLY 51 HN GLY 51 -18.446 1.983 -2.276 416 1HA GLY 51 HA1 GLY 51 -20.722 2.027 -1.577 417 2HA GLY 51 HA2 GLY 51 -20.542 0.381 -0.991 418 H ILE 52 HN ILE 52 -17.829 2.026 -0.048 419 HA ILE 52 HA ILE 52 -19.001 2.506 2.607 420 HB ILE 52 HB ILE 52 -16.054 2.301 2.009 421 1HG1 ILE 52 HG12 ILE 52 -17.124 0.219 1.252 422 2HG1 ILE 52 HG13 ILE 52 -16.148 -0.052 2.688 423 1HG2 ILE 52 HG21 ILE 52 -16.673 3.322 4.131 424 2HG2 ILE 52 HG22 ILE 52 -17.654 1.914 4.536 425 3HG2 ILE 52 HG23 ILE 52 -15.903 1.757 4.390 426 1HD1 ILE 52 HD11 ILE 52 -18.240 -1.278 2.790 427 2HD1 ILE 52 HD12 ILE 52 -18.164 -0.057 4.062 428 3HD1 ILE 52 HD13 ILE 52 -19.142 0.226 2.619 429 H ILE 53 HN ILE 53 -19.741 4.602 2.390 430 HA ILE 53 HA ILE 53 -18.075 6.660 1.255 431 HB ILE 53 HB ILE 53 -20.821 6.653 2.483 432 1HG1 ILE 53 HG12 ILE 53 -21.487 7.406 0.243 433 2HG1 ILE 53 HG13 ILE 53 -19.813 7.366 -0.279 434 1HG2 ILE 53 HG21 ILE 53 -20.998 9.042 1.980 435 2HG2 ILE 53 HG22 ILE 53 -19.763 8.719 3.197 436 3HG2 ILE 53 HG23 ILE 53 -19.291 9.069 1.534 437 1HD1 ILE 53 HD11 ILE 53 -21.474 5.004 0.565 438 2HD1 ILE 53 HD12 ILE 53 -21.032 5.439 -1.088 439 3HD1 ILE 53 HD13 ILE 53 -19.783 4.949 0.059 440 H ALA 54 HN ALA 54 -19.455 5.976 4.470 441 HA ALA 54 HA ALA 54 -18.056 8.132 5.717 442 1HB ALA 54 HB1 ALA 54 -20.153 7.248 6.627 443 2HB ALA 54 HB2 ALA 54 -19.350 5.718 6.982 444 3HB ALA 54 HB3 ALA 54 -18.851 7.192 7.814 445 H SER 55 HN SER 55 -16.138 8.159 6.718 446 HA SER 55 HA SER 55 -14.087 6.520 5.934 447 1HB SER 55 HB2 SER 55 -14.011 7.899 8.586 448 2HB SER 55 HB3 SER 55 -12.775 7.821 7.329 449 HG SER 55 HG SER 55 -13.562 9.568 6.488 450 H LYS 56 HN LYS 56 -13.994 4.382 6.261 451 HA LYS 56 HA LYS 56 -14.276 3.347 8.992 452 1HB LYS 56 HB2 LYS 56 -16.460 3.028 7.973 453 2HB LYS 56 HB3 LYS 56 -15.729 2.279 6.561 454 1HG LYS 56 HG2 LYS 56 -14.887 0.467 8.077 455 2HG LYS 56 HG3 LYS 56 -15.876 1.178 9.355 456 1HD LYS 56 HD2 LYS 56 -17.879 0.841 8.032 457 2HD LYS 56 HD3 LYS 56 -16.916 0.224 6.689 458 1HE LYS 56 HE2 LYS 56 -16.152 -1.623 8.148 459 2HE LYS 56 HE3 LYS 56 -17.226 -1.027 9.414 460 1HZ LYS 56 HZ1 LYS 56 -18.277 -2.813 8.208 461 2HZ LYS 56 HZ2 LYS 56 -18.044 -2.014 6.733 462 3HZ LYS 56 HZ3 LYS 56 -19.102 -1.366 7.888 463 H ASN 57 HN ASN 57 -12.510 2.209 9.452 464 HA ASN 57 HA ASN 57 -10.793 1.124 7.432 465 1HB ASN 57 HB2 ASN 57 -9.667 -0.014 9.437 466 2HB ASN 57 HB3 ASN 57 -9.643 1.754 9.396 467 1HD2 ASN 57 HD21 ASN 57 -9.375 -0.130 11.617 468 2HD2 ASN 57 HD22 ASN 57 -10.598 0.302 12.757 469 H VAL 58 HN VAL 58 -10.997 -0.747 6.424 470 HA VAL 58 HA VAL 58 -12.596 -2.854 7.720 471 HB VAL 58 HB VAL 58 -13.537 -3.512 5.610 472 1HG1 VAL 58 HG11 VAL 58 -14.743 -1.776 6.783 473 2HG1 VAL 58 HG12 VAL 58 -13.787 -0.538 5.969 474 3HG1 VAL 58 HG13 VAL 58 -14.891 -1.552 5.040 475 1HG2 VAL 58 HG21 VAL 58 -13.129 -2.269 3.532 476 2HG2 VAL 58 HG22 VAL 58 -11.897 -1.321 4.364 477 3HG2 VAL 58 HG23 VAL 58 -11.672 -3.057 4.145 478 H LEU 59 HN LEU 59 -11.796 -4.887 7.646 479 HA LEU 59 HA LEU 59 -9.100 -5.238 6.607 480 1HB LEU 59 HB2 LEU 59 -9.687 -5.817 8.957 481 2HB LEU 59 HB3 LEU 59 -10.797 -7.018 8.356 482 HG LEU 59 HG LEU 59 -8.488 -7.750 9.228 483 1HD1 LEU 59 HD11 LEU 59 -9.485 -8.728 6.570 484 2HD1 LEU 59 HD12 LEU 59 -8.397 -9.601 7.650 485 3HD1 LEU 59 HD13 LEU 59 -10.051 -9.254 8.155 486 1HD2 LEU 59 HD21 LEU 59 -7.719 -6.894 6.453 487 2HD2 LEU 59 HD22 LEU 59 -7.200 -6.117 7.951 488 3HD2 LEU 59 HD23 LEU 59 -6.709 -7.776 7.602 489 H THR 60 HN THR 60 -8.615 -6.621 4.956 490 HA THR 60 HA THR 60 -10.753 -7.160 3.138 491 HB THR 60 HB THR 60 -8.973 -8.091 1.665 492 HG1 THR 60 HG1 THR 60 -7.227 -8.737 2.656 493 1HG2 THR 60 HG21 THR 60 -9.529 -5.729 1.562 494 2HG2 THR 60 HG22 THR 60 -7.796 -5.954 1.332 495 3HG2 THR 60 HG23 THR 60 -8.412 -5.388 2.883 496 H THR 61 HN THR 61 -11.456 -9.106 2.317 497 HA THR 61 HA THR 61 -11.673 -11.207 4.217 498 HB THR 61 HB THR 61 -12.921 -12.345 2.346 499 HG1 THR 61 HG1 THR 61 -12.119 -11.535 0.492 500 1HG2 THR 61 HG21 THR 61 -14.795 -10.747 2.365 501 2HG2 THR 61 HG22 THR 61 -13.716 -9.504 3.001 502 3HG2 THR 61 HG23 THR 61 -14.085 -10.931 3.970 503 H SER 62 HN SER 62 -9.535 -10.570 1.618 504 HA SER 62 HA SER 62 -8.499 -13.320 1.710 505 1HB SER 62 HB2 SER 62 -8.620 -11.610 -0.783 506 2HB SER 62 HB3 SER 62 -8.200 -13.318 -0.672 507 HG SER 62 HG SER 62 -10.288 -13.343 -1.284 508 H GLU 63 HN GLU 63 -6.218 -13.494 1.081 509 HA GLU 63 HA GLU 63 -4.720 -11.167 1.979 510 1HB GLU 63 HB2 GLU 63 -3.638 -13.910 1.310 511 2HB GLU 63 HB3 GLU 63 -2.825 -12.630 2.197 512 1HG GLU 63 HG2 GLU 63 -4.553 -12.799 3.954 513 2HG GLU 63 HG3 GLU 63 -5.233 -14.172 3.102 514 H PHE 64 HN PHE 64 -3.493 -9.939 0.724 515 HA PHE 64 HA PHE 64 -3.520 -10.538 -2.151 516 1HB PHE 64 HB2 PHE 64 -3.206 -7.950 -0.635 517 2HB PHE 64 HB3 PHE 64 -2.930 -8.080 -2.365 518 HD1 PHE 64 HD1 PHE 64 -4.723 -8.007 -3.881 519 HD2 PHE 64 HD2 PHE 64 -5.491 -8.497 0.276 520 HE1 PHE 64 HE1 PHE 64 -7.123 -7.661 -4.287 521 HE2 PHE 64 HE2 PHE 64 -7.894 -8.152 -0.123 522 HZ PHE 64 HZ PHE 64 -8.708 -7.708 -2.413 523 H TYR 65 HN TYR 65 -1.592 -9.748 -3.355 524 HA TYR 65 HA TYR 65 0.768 -10.856 -2.125 525 1HB TYR 65 HB2 TYR 65 0.524 -9.543 -4.839 526 2HB TYR 65 HB3 TYR 65 1.787 -10.644 -4.299 527 HD1 TYR 65 HD1 TYR 65 -1.233 -10.374 -6.079 528 HD2 TYR 65 HD2 TYR 65 0.944 -13.034 -3.572 529 HE1 TYR 65 HE1 TYR 65 -2.530 -12.263 -6.967 530 HE2 TYR 65 HE2 TYR 65 -0.353 -14.930 -4.447 531 HH TYR 65 HH TYR 65 -2.353 -15.447 -5.579 532 H LEU 66 HN LEU 66 1.671 -9.559 -0.639 533 HA LEU 66 HA LEU 66 1.754 -6.682 -1.180 534 1HB LEU 66 HB2 LEU 66 2.213 -8.151 1.415 535 2HB LEU 66 HB3 LEU 66 2.141 -6.411 1.211 536 HG LEU 66 HG LEU 66 -0.142 -8.335 0.785 537 1HD1 LEU 66 HD11 LEU 66 0.442 -8.026 3.134 538 2HD1 LEU 66 HD12 LEU 66 0.349 -6.277 2.931 539 3HD1 LEU 66 HD13 LEU 66 -1.102 -7.263 2.757 540 1HD2 LEU 66 HD21 LEU 66 -1.507 -6.292 0.545 541 2HD2 LEU 66 HD22 LEU 66 -0.029 -5.329 0.561 542 3HD2 LEU 66 HD23 LEU 66 -0.323 -6.475 -0.749 543 H SER 67 HN SER 67 3.620 -5.521 -1.069 544 HA SER 67 HA SER 67 6.121 -6.996 -0.600 545 1HB SER 67 HB2 SER 67 5.757 -4.821 -2.679 546 2HB SER 67 HB3 SER 67 7.202 -5.789 -2.397 547 HG SER 67 HG SER 67 6.343 -6.965 -3.933 548 H ASP 68 HN ASP 68 6.938 -6.200 1.214 549 HA ASP 68 HA ASP 68 6.312 -3.428 1.951 550 1HB ASP 68 HB2 ASP 68 5.792 -5.276 3.566 551 2HB ASP 68 HB3 ASP 68 7.519 -5.607 3.671 552 H CYS 69 HN CYS 69 7.796 -1.929 1.630 553 HA CYS 69 HA CYS 69 10.616 -2.742 1.463 554 1HB CYS 69 HB2 CYS 69 9.305 -0.121 0.699 555 2HB CYS 69 HB3 CYS 69 10.993 -0.539 0.441 556 H ASN 70 HN ASN 70 11.744 -2.530 3.266 557 HA ASN 70 HA ASN 70 11.120 -0.294 5.063 558 1HB ASN 70 HB2 ASN 70 11.709 -1.838 6.985 559 2HB ASN 70 HB3 ASN 70 10.173 -2.151 6.189 560 1HD2 ASN 70 HD21 ASN 70 9.911 -4.021 4.985 561 2HD2 ASN 70 HD22 ASN 70 11.038 -5.334 5.075 562 H VAL 71 HN VAL 71 12.854 0.484 6.318 563 HA VAL 71 HA VAL 71 15.227 0.566 4.677 564 HB VAL 71 HB VAL 71 14.171 2.622 5.607 565 1HG1 VAL 71 HG11 VAL 71 13.546 1.824 7.798 566 2HG1 VAL 71 HG12 VAL 71 15.242 1.612 8.234 567 3HG1 VAL 71 HG13 VAL 71 14.601 3.229 7.942 568 1HG2 VAL 71 HG21 VAL 71 16.266 3.723 6.260 569 2HG2 VAL 71 HG22 VAL 71 17.036 2.143 6.409 570 3HG2 VAL 71 HG23 VAL 71 16.458 2.699 4.837 571 H THR 72 HN THR 72 17.201 -0.013 5.146 572 HA THR 72 HA THR 72 17.566 -1.943 7.280 573 HB THR 72 HB THR 72 19.791 -2.293 6.195 574 HG1 THR 72 HG1 THR 72 18.789 -0.392 4.305 575 1HG2 THR 72 HG21 THR 72 17.855 -3.639 5.516 576 2HG2 THR 72 HG22 THR 72 18.938 -3.342 4.157 577 3HG2 THR 72 HG23 THR 72 17.437 -2.430 4.306 578 H SER 73 HN SER 73 20.403 -1.424 7.431 579 HA SER 73 HA SER 73 20.379 0.621 9.469 580 1HB SER 73 HB2 SER 73 22.831 -0.089 9.674 581 2HB SER 73 HB3 SER 73 21.621 -1.323 10.031 582 HG SER 73 HG SER 73 23.471 -1.188 7.981 583 H ARG 74 HN ARG 74 20.781 0.567 6.178 584 HA ARG 74 HA ARG 74 22.642 2.826 6.196 585 1HB ARG 74 HB2 ARG 74 21.814 0.966 3.966 586 2HB ARG 74 HB3 ARG 74 22.827 2.388 3.730 587 1HG ARG 74 HG2 ARG 74 24.534 1.494 5.129 588 2HG ARG 74 HG3 ARG 74 23.503 0.152 5.616 589 1HD ARG 74 HD2 ARG 74 23.457 -0.537 3.191 590 2HD ARG 74 HD3 ARG 74 24.716 0.666 2.911 591 HE ARG 74 HE ARG 74 25.288 -1.235 5.014 592 1HH1 ARG 74 HH12 ARG 74 25.652 -0.457 1.616 593 2HH1 ARG 74 HH11 ARG 74 26.985 -1.552 1.392 594 1HH2 ARG 74 HH22 ARG 74 27.038 -2.658 4.718 595 2HH2 ARG 74 HH21 ARG 74 27.784 -2.788 3.146 596 HA PRO 75 HA PRO 75 19.468 5.771 5.837 597 1HB PRO 75 HB2 PRO 75 21.343 7.120 3.973 598 2HB PRO 75 HB3 PRO 75 20.520 7.743 5.406 599 1HG PRO 75 HG2 PRO 75 23.118 7.097 5.463 600 2HG PRO 75 HG3 PRO 75 22.059 6.817 6.856 601 1HD PRO 75 HD2 PRO 75 23.182 4.860 4.911 602 2HD PRO 75 HD3 PRO 75 22.772 4.652 6.624 603 H CYS 76 HN CYS 76 17.729 5.531 4.743 604 HA CYS 76 HA CYS 76 16.209 5.207 3.091 605 1HB CYS 76 HB2 CYS 76 17.053 7.497 2.580 606 2HB CYS 76 HB3 CYS 76 18.165 6.794 1.420 607 H LYS 77 HN LYS 77 18.413 3.214 3.351 608 HA LYS 77 HA LYS 77 18.204 2.061 0.652 609 1HB LYS 77 HB2 LYS 77 20.211 1.528 2.848 610 2HB LYS 77 HB3 LYS 77 20.087 0.561 1.381 611 1HG LYS 77 HG2 LYS 77 20.667 3.515 1.480 612 2HG LYS 77 HG3 LYS 77 21.858 2.238 1.219 613 1HD LYS 77 HD2 LYS 77 20.991 1.692 -0.878 614 2HD LYS 77 HD3 LYS 77 19.450 2.486 -0.550 615 1HE LYS 77 HE2 LYS 77 20.561 4.662 -0.620 616 2HE LYS 77 HE3 LYS 77 22.102 3.867 -0.940 617 1HZ LYS 77 HZ1 LYS 77 19.806 3.369 -2.718 618 2HZ LYS 77 HZ2 LYS 77 21.469 3.291 -3.060 619 3HZ LYS 77 HZ3 LYS 77 20.707 4.795 -2.892 620 H TYR 78 HN TYR 78 17.054 0.239 0.374 621 HA TYR 78 HA TYR 78 15.680 -0.721 2.804 622 1HB TYR 78 HB2 TYR 78 14.512 -0.246 0.059 623 2HB TYR 78 HB3 TYR 78 13.636 -0.878 1.452 624 HD1 TYR 78 HD1 TYR 78 13.106 0.567 3.338 625 HD2 TYR 78 HD2 TYR 78 15.035 2.096 -0.127 626 HE1 TYR 78 HE1 TYR 78 12.558 2.849 4.049 627 HE2 TYR 78 HE2 TYR 78 14.493 4.388 0.579 628 HH TYR 78 HH TYR 78 13.325 5.104 3.708 629 H LYS 79 HN LYS 79 14.796 -2.803 2.762 630 HA LYS 79 HA LYS 79 15.851 -4.612 0.698 631 1HB LYS 79 HB2 LYS 79 15.463 -6.407 2.382 632 2HB LYS 79 HB3 LYS 79 16.655 -5.228 2.899 633 1HG LYS 79 HG2 LYS 79 15.113 -4.197 4.370 634 2HG LYS 79 HG3 LYS 79 13.774 -5.150 3.735 635 1HD LYS 79 HD2 LYS 79 14.480 -6.050 5.870 636 2HD LYS 79 HD3 LYS 79 14.868 -7.194 4.585 637 1HE LYS 79 HE2 LYS 79 17.183 -6.470 4.603 638 2HE LYS 79 HE3 LYS 79 16.814 -5.247 5.818 639 1HZ LYS 79 HZ1 LYS 79 16.246 -6.981 7.376 640 2HZ LYS 79 HZ2 LYS 79 17.817 -7.236 6.784 641 3HZ LYS 79 HZ3 LYS 79 16.533 -8.176 6.207 642 H LEU 80 HN LEU 80 14.370 -6.033 -0.299 643 HA LEU 80 HA LEU 80 11.609 -5.157 -0.152 644 1HB LEU 80 HB2 LEU 80 13.277 -6.395 -2.128 645 2HB LEU 80 HB3 LEU 80 11.840 -7.356 -1.893 646 HG LEU 80 HG LEU 80 11.788 -4.426 -2.484 647 1HD1 LEU 80 HD11 LEU 80 11.159 -5.065 -4.763 648 2HD1 LEU 80 HD12 LEU 80 12.784 -5.613 -4.354 649 3HD1 LEU 80 HD13 LEU 80 11.442 -6.757 -4.354 650 1HD2 LEU 80 HD21 LEU 80 9.444 -4.811 -2.987 651 2HD2 LEU 80 HD22 LEU 80 9.632 -6.520 -2.586 652 3HD2 LEU 80 HD23 LEU 80 9.817 -5.294 -1.331 653 H LYS 81 HN LYS 81 9.925 -6.296 0.578 654 HA LYS 81 HA LYS 81 10.425 -8.992 1.653 655 1HB LYS 81 HB2 LYS 81 10.337 -7.442 3.522 656 2HB LYS 81 HB3 LYS 81 8.846 -6.740 2.912 657 1HG LYS 81 HG2 LYS 81 7.758 -8.965 3.243 658 2HG LYS 81 HG3 LYS 81 9.240 -9.496 4.039 659 1HD LYS 81 HD2 LYS 81 8.998 -7.799 5.731 660 2HD LYS 81 HD3 LYS 81 7.605 -7.111 4.892 661 1HE LYS 81 HE2 LYS 81 6.779 -8.422 6.703 662 2HE LYS 81 HE3 LYS 81 6.438 -9.297 5.212 663 1HZ LYS 81 HZ1 LYS 81 8.634 -9.853 7.132 664 2HZ LYS 81 HZ2 LYS 81 8.449 -10.641 5.643 665 3HZ LYS 81 HZ3 LYS 81 7.266 -10.810 6.843 666 H LYS 82 HN LYS 82 9.387 -10.210 0.188 667 HA LYS 82 HA LYS 82 6.802 -9.350 -0.846 668 1HB LYS 82 HB2 LYS 82 8.503 -11.732 -1.598 669 2HB LYS 82 HB3 LYS 82 7.091 -11.141 -2.467 670 1HG LYS 82 HG2 LYS 82 8.232 -9.118 -3.065 671 2HG LYS 82 HG3 LYS 82 9.612 -9.547 -2.054 672 1HD LYS 82 HD2 LYS 82 10.002 -11.521 -3.482 673 2HD LYS 82 HD3 LYS 82 8.667 -11.007 -4.509 674 1HE LYS 82 HE2 LYS 82 9.852 -8.916 -4.999 675 2HE LYS 82 HE3 LYS 82 11.183 -9.435 -3.968 676 1HZ LYS 82 HZ1 LYS 82 11.830 -9.925 -6.150 677 2HZ LYS 82 HZ2 LYS 82 10.323 -10.583 -6.560 678 3HZ LYS 82 HZ3 LYS 82 11.353 -11.420 -5.501 679 H SER 83 HN SER 83 5.014 -9.982 0.162 680 HA SER 83 HA SER 83 4.917 -12.652 1.383 681 1HB SER 83 HB2 SER 83 3.878 -10.181 2.790 682 2HB SER 83 HB3 SER 83 4.029 -11.811 3.446 683 HG SER 83 HG SER 83 6.161 -11.556 3.670 684 H THR 84 HN THR 84 2.564 -13.099 2.117 685 HA THR 84 HA THR 84 0.597 -11.693 0.429 686 HB THR 84 HB THR 84 0.426 -14.664 0.930 687 HG1 THR 84 HG1 THR 84 2.022 -13.253 -0.857 688 1HG2 THR 84 HG21 THR 84 -0.789 -12.821 -1.134 689 2HG2 THR 84 HG22 THR 84 -1.629 -13.574 0.221 690 3HG2 THR 84 HG23 THR 84 -1.000 -14.571 -1.093 691 H ASN 85 HN ASN 85 -0.774 -10.734 1.772 692 HA ASN 85 HA ASN 85 -1.949 -12.141 4.005 693 1HB ASN 85 HB2 ASN 85 0.323 -10.414 4.443 694 2HB ASN 85 HB3 ASN 85 -1.113 -9.693 5.150 695 1HD2 ASN 85 HD21 ASN 85 -0.260 -9.971 7.201 696 2HD2 ASN 85 HD22 ASN 85 -0.242 -11.512 7.985 697 H LYS 86 HN LYS 86 -3.719 -10.966 4.940 698 HA LYS 86 HA LYS 86 -5.099 -9.267 3.101 699 1HB LYS 86 HB2 LYS 86 -5.780 -9.684 6.013 700 2HB LYS 86 HB3 LYS 86 -6.872 -9.316 4.683 701 1HG LYS 86 HG2 LYS 86 -6.426 -11.520 3.718 702 2HG LYS 86 HG3 LYS 86 -5.369 -11.890 5.081 703 1HD LYS 86 HD2 LYS 86 -7.362 -11.448 6.567 704 2HD LYS 86 HD3 LYS 86 -8.327 -11.424 5.100 705 1HE LYS 86 HE2 LYS 86 -8.397 -13.619 6.137 706 2HE LYS 86 HE3 LYS 86 -7.590 -13.682 4.575 707 1HZ LYS 86 HZ1 LYS 86 -6.429 -14.973 6.298 708 2HZ LYS 86 HZ2 LYS 86 -6.190 -13.550 7.194 709 3HZ LYS 86 HZ3 LYS 86 -5.464 -13.729 5.676 710 H PHE 87 HN PHE 87 -6.068 -7.119 4.102 711 HA PHE 87 HA PHE 87 -4.347 -5.854 6.032 712 1HB PHE 87 HB2 PHE 87 -3.847 -3.895 4.517 713 2HB PHE 87 HB3 PHE 87 -2.966 -5.376 4.173 714 HD1 PHE 87 HD1 PHE 87 -2.992 -6.294 2.047 715 HD2 PHE 87 HD2 PHE 87 -5.916 -3.388 3.091 716 HE1 PHE 87 HE1 PHE 87 -3.731 -6.197 -0.297 717 HE2 PHE 87 HE2 PHE 87 -6.661 -3.291 0.749 718 HZ PHE 87 HZ PHE 87 -5.566 -4.699 -0.951 719 H CYS 88 HN CYS 88 -5.157 -3.868 6.831 720 HA CYS 88 HA CYS 88 -8.021 -3.533 6.307 721 1HB CYS 88 HB2 CYS 88 -7.417 -3.848 8.648 722 2HB CYS 88 HB3 CYS 88 -6.284 -2.505 8.563 723 H VAL 89 HN VAL 89 -8.558 -1.997 4.926 724 HA VAL 89 HA VAL 89 -6.811 0.357 4.689 725 HB VAL 89 HB VAL 89 -8.043 0.783 2.527 726 1HG1 VAL 89 HG11 VAL 89 -5.810 -0.170 2.562 727 2HG1 VAL 89 HG12 VAL 89 -6.483 -1.788 2.750 728 3HG1 VAL 89 HG13 VAL 89 -6.765 -0.882 1.264 729 1HG2 VAL 89 HG21 VAL 89 -9.193 -1.131 1.481 730 2HG2 VAL 89 HG22 VAL 89 -9.030 -2.034 2.988 731 3HG2 VAL 89 HG23 VAL 89 -10.021 -0.576 2.938 732 H THR 90 HN THR 90 -7.619 2.370 5.065 733 HA THR 90 HA THR 90 -10.186 2.524 6.366 734 HB THR 90 HB THR 90 -8.389 4.825 5.569 735 HG1 THR 90 HG1 THR 90 -8.194 2.940 7.620 736 1HG2 THR 90 HG21 THR 90 -9.479 5.968 7.451 737 2HG2 THR 90 HG22 THR 90 -10.490 4.549 7.723 738 3HG2 THR 90 HG23 THR 90 -10.653 5.472 6.230 739 H CYS 91 HN CYS 91 -11.909 2.365 5.043 740 HA CYS 91 HA CYS 91 -11.812 3.438 2.355 741 1HB CYS 91 HB2 CYS 91 -14.026 2.053 3.879 742 2HB CYS 91 HB3 CYS 91 -14.065 2.451 2.161 743 H GLU 92 HN GLU 92 -12.407 5.409 1.809 744 HA GLU 92 HA GLU 92 -14.538 6.731 3.323 745 1HB GLU 92 HB2 GLU 92 -12.123 7.419 4.029 746 2HB GLU 92 HB3 GLU 92 -12.099 8.275 2.497 747 1HG GLU 92 HG2 GLU 92 -14.131 9.497 3.207 748 2HG GLU 92 HG3 GLU 92 -14.010 8.707 4.772 749 H ASN 93 HN ASN 93 -16.007 7.550 1.979 750 HA ASN 93 HA ASN 93 -17.088 8.170 0.080 751 1HB ASN 93 HB2 ASN 93 -14.369 9.241 -0.720 752 2HB ASN 93 HB3 ASN 93 -15.892 9.647 -1.501 753 1HD2 ASN 93 HD21 ASN 93 -13.795 10.246 1.141 754 2HD2 ASN 93 HD22 ASN 93 -14.725 11.503 1.877 755 H GLN 94 HN GLN 94 -16.048 5.543 0.222 756 HA GLN 94 HA GLN 94 -16.098 3.679 -1.047 757 1HB GLN 94 HB2 GLN 94 -16.697 5.584 -3.307 758 2HB GLN 94 HB3 GLN 94 -16.721 3.833 -3.455 759 1HG GLN 94 HG2 GLN 94 -18.452 3.771 -1.672 760 2HG GLN 94 HG3 GLN 94 -18.497 5.530 -1.725 761 1HE2 GLN 94 HE21 GLN 94 -17.970 3.629 -4.576 762 2HE2 GLN 94 HE22 GLN 94 -19.516 3.924 -5.300 763 H ALA 95 HN ALA 95 -13.672 5.442 -0.716 764 HA ALA 95 HA ALA 95 -12.013 3.831 -2.503 765 1HB ALA 95 HB1 ALA 95 -10.621 5.726 -3.107 766 2HB ALA 95 HB2 ALA 95 -12.289 6.014 -3.601 767 3HB ALA 95 HB3 ALA 95 -11.644 6.806 -2.161 768 HA PRO 96 HA PRO 96 -9.582 3.264 1.235 769 1HB PRO 96 HB2 PRO 96 -7.424 2.727 -0.715 770 2HB PRO 96 HB3 PRO 96 -8.030 1.711 0.595 771 1HG PRO 96 HG2 PRO 96 -8.555 1.166 -1.982 772 2HG PRO 96 HG3 PRO 96 -9.722 0.829 -0.697 773 1HD PRO 96 HD2 PRO 96 -9.705 3.023 -2.705 774 2HD PRO 96 HD3 PRO 96 -11.076 2.155 -1.990 775 H VAL 97 HN VAL 97 -8.904 5.060 2.259 776 HA VAL 97 HA VAL 97 -7.299 6.994 0.733 777 HB VAL 97 HB VAL 97 -8.024 8.690 2.387 778 1HG1 VAL 97 HG11 VAL 97 -10.339 8.880 1.583 779 2HG1 VAL 97 HG12 VAL 97 -9.219 8.470 0.283 780 3HG1 VAL 97 HG13 VAL 97 -10.253 7.226 0.981 781 1HG2 VAL 97 HG21 VAL 97 -8.474 7.193 4.262 782 2HG2 VAL 97 HG22 VAL 97 -9.881 8.192 3.887 783 3HG2 VAL 97 HG23 VAL 97 -9.838 6.501 3.384 784 H HIS 98 HN HIS 98 -7.402 5.136 3.696 785 HA HIS 98 HA HIS 98 -4.626 5.954 4.219 786 1HB HIS 98 HB2 HIS 98 -6.878 5.750 6.219 787 2HB HIS 98 HB3 HIS 98 -5.191 5.646 6.705 788 HD1 HIS 98 HD1 HIS 98 -4.319 7.791 7.529 789 HD2 HIS 98 HD2 HIS 98 -7.248 8.342 4.626 790 HE1 HIS 98 HE1 HIS 98 -4.611 10.280 7.318 791 HE2 HIS 98 HE2 HIS 98 -6.244 10.586 5.422 792 H PHE 99 HN PHE 99 -3.324 4.362 5.239 793 HA PHE 99 HA PHE 99 -4.388 1.643 4.903 794 1HB PHE 99 HB2 PHE 99 -2.361 2.375 3.550 795 2HB PHE 99 HB3 PHE 99 -1.475 2.432 5.071 796 HD1 PHE 99 HD1 PHE 99 -0.448 0.532 5.887 797 HD2 PHE 99 HD2 PHE 99 -3.492 0.146 2.938 798 HE1 PHE 99 HE1 PHE 99 0.044 -1.868 5.704 799 HE2 PHE 99 HE2 PHE 99 -3.004 -2.260 2.748 800 HZ PHE 99 HZ PHE 99 -1.245 -3.268 4.090 801 H VAL 100 HN VAL 100 -4.831 0.564 6.686 802 HA VAL 100 HA VAL 100 -4.074 1.674 9.250 803 HB VAL 100 HB VAL 100 -5.825 -0.683 8.538 804 1HG1 VAL 100 HG11 VAL 100 -5.283 0.606 11.205 805 2HG1 VAL 100 HG12 VAL 100 -6.638 -0.482 10.890 806 3HG1 VAL 100 HG13 VAL 100 -4.981 -1.067 10.730 807 1HG2 VAL 100 HG21 VAL 100 -7.674 0.818 9.180 808 2HG2 VAL 100 HG22 VAL 100 -6.513 2.129 9.385 809 3HG2 VAL 100 HG23 VAL 100 -6.770 1.419 7.792 810 H GLY 101 HN GLY 101 -3.874 -1.571 7.762 811 1HA GLY 101 HA1 GLY 101 -1.206 -2.060 8.419 812 2HA GLY 101 HA2 GLY 101 -2.185 -2.655 9.753 813 H VAL 102 HN VAL 102 -0.831 -4.581 8.647 814 HA VAL 102 HA VAL 102 -2.547 -5.757 6.571 815 HB VAL 102 HB VAL 102 -0.793 -6.904 5.657 816 1HG1 VAL 102 HG11 VAL 102 0.520 -4.436 6.757 817 2HG1 VAL 102 HG12 VAL 102 1.103 -5.389 5.392 818 3HG1 VAL 102 HG13 VAL 102 -0.444 -4.548 5.285 819 1HG2 VAL 102 HG21 VAL 102 -0.012 -8.095 7.569 820 2HG2 VAL 102 HG22 VAL 102 1.372 -7.339 6.777 821 3HG2 VAL 102 HG23 VAL 102 0.705 -6.631 8.249 822 H GLY 103 HN GLY 103 -2.962 -8.024 6.650 823 1HA GLY 103 HA1 GLY 103 -3.217 -10.083 7.723 824 2HA GLY 103 HA2 GLY 103 -2.549 -9.386 9.195 825 H SER 104 HN SER 104 -3.989 -7.471 9.979 826 HA SER 104 HA SER 104 -6.843 -7.917 9.639 827 1HB SER 104 HB2 SER 104 -5.474 -8.137 12.332 828 2HB SER 104 HB3 SER 104 -7.209 -8.192 12.047 829 HG SER 104 HG SER 104 -5.811 -9.999 10.540 830 H CYS 105 HN CYS 105 -7.953 -6.280 11.272 831 HA CYS 105 HA CYS 105 -6.499 -3.752 10.938 832 1HB CYS 105 HB2 CYS 105 -8.897 -4.145 9.994 833 2HB CYS 105 HB3 CYS 105 -9.409 -3.936 11.665 Start of MODEL 10 1 1H MET 1 H1 MET 1 -3.154 16.194 2.665 2 2H MET 1 H2 MET 1 -4.506 16.261 3.691 3 3H MET 1 H3 MET 1 -4.183 17.544 2.636 4 HA MET 1 HA MET 1 -6.006 16.100 1.907 5 1HB MET 1 HB2 MET 1 -5.208 15.880 -0.420 6 2HB MET 1 HB3 MET 1 -4.817 17.445 0.275 7 1HG MET 1 HG2 MET 1 -2.518 16.629 0.704 8 2HG MET 1 HG3 MET 1 -2.937 15.126 -0.118 9 1HE MET 1 HE1 MET 1 -0.596 16.837 -2.723 10 2HE MET 1 HE2 MET 1 -0.439 16.868 -0.966 11 3HE MET 1 HE3 MET 1 -0.925 15.382 -1.781 12 H GLN 2 HN GLN 2 -6.778 14.135 2.007 13 HA GLN 2 HA GLN 2 -4.973 11.868 1.550 14 1HB GLN 2 HB2 GLN 2 -5.928 10.593 3.359 15 2HB GLN 2 HB3 GLN 2 -5.342 12.118 4.003 16 1HG GLN 2 HG2 GLN 2 -8.188 11.921 3.195 17 2HG GLN 2 HG3 GLN 2 -7.680 11.128 4.681 18 1HE2 GLN 2 HE21 GLN 2 -8.948 12.494 5.921 19 2HE2 GLN 2 HE22 GLN 2 -8.521 14.152 6.203 20 H ASP 3 HN ASP 3 -5.752 10.494 0.056 21 HA ASP 3 HA ASP 3 -8.516 9.979 -0.309 22 1HB ASP 3 HB2 ASP 3 -8.984 11.150 -2.316 23 2HB ASP 3 HB3 ASP 3 -8.270 12.339 -1.228 24 H TRP 4 HN TRP 4 -8.762 9.154 -2.751 25 HA TRP 4 HA TRP 4 -7.413 6.697 -2.734 26 1HB TRP 4 HB2 TRP 4 -9.664 6.946 -3.599 27 2HB TRP 4 HB3 TRP 4 -9.096 8.030 -4.864 28 HD1 TRP 4 HD1 TRP 4 -9.236 6.797 -7.085 29 HE1 TRP 4 HE1 TRP 4 -8.671 4.435 -7.929 30 HE3 TRP 4 HE3 TRP 4 -7.782 4.685 -2.665 31 HZ2 TRP 4 HZ2 TRP 4 -7.714 2.006 -6.859 32 HZ3 TRP 4 HZ3 TRP 4 -7.058 2.336 -2.657 33 HH2 TRP 4 HH2 TRP 4 -7.018 1.026 -4.720 34 H LEU 5 HN LEU 5 -6.929 9.622 -4.703 35 HA LEU 5 HA LEU 5 -5.103 8.415 -6.500 36 1HB LEU 5 HB2 LEU 5 -5.671 11.273 -5.765 37 2HB LEU 5 HB3 LEU 5 -4.413 10.850 -6.910 38 HG LEU 5 HG LEU 5 -6.381 11.475 -8.118 39 1HD1 LEU 5 HD11 LEU 5 -6.000 8.493 -8.177 40 2HD1 LEU 5 HD12 LEU 5 -6.806 9.443 -9.424 41 3HD1 LEU 5 HD13 LEU 5 -5.092 9.690 -9.099 42 1HD2 LEU 5 HD21 LEU 5 -8.057 11.087 -6.399 43 2HD2 LEU 5 HD22 LEU 5 -8.506 10.301 -7.912 44 3HD2 LEU 5 HD23 LEU 5 -7.850 9.345 -6.583 45 H THR 6 HN THR 6 -4.735 10.061 -3.428 46 HA THR 6 HA THR 6 -1.881 10.148 -3.507 47 HB THR 6 HB THR 6 -3.703 10.304 -1.095 48 HG1 THR 6 HG1 THR 6 -4.367 12.032 -2.200 49 1HG2 THR 6 HG21 THR 6 -1.861 11.600 -0.108 50 2HG2 THR 6 HG22 THR 6 -0.896 11.325 -1.557 51 3HG2 THR 6 HG23 THR 6 -1.348 9.966 -0.528 52 H PHE 7 HN PHE 7 -4.305 8.003 -2.120 53 HA PHE 7 HA PHE 7 -2.647 6.257 -0.701 54 1HB PHE 7 HB2 PHE 7 -5.151 6.361 -0.598 55 2HB PHE 7 HB3 PHE 7 -5.208 5.574 -2.167 56 HD1 PHE 7 HD1 PHE 7 -4.740 5.145 1.392 57 HD2 PHE 7 HD2 PHE 7 -4.483 3.225 -2.400 58 HE1 PHE 7 HE1 PHE 7 -4.693 2.952 2.507 59 HE2 PHE 7 HE2 PHE 7 -4.439 1.027 -1.288 60 HZ PHE 7 HZ PHE 7 -4.543 0.892 1.168 61 H GLN 8 HN GLN 8 -3.677 6.259 -4.074 62 HA GLN 8 HA GLN 8 -2.684 3.789 -4.871 63 1HB GLN 8 HB2 GLN 8 -3.405 6.312 -6.211 64 2HB GLN 8 HB3 GLN 8 -2.334 5.242 -7.095 65 1HG GLN 8 HG2 GLN 8 -3.980 3.422 -6.796 66 2HG GLN 8 HG3 GLN 8 -5.061 4.576 -6.017 67 1HE2 GLN 8 HE21 GLN 8 -6.055 6.153 -7.245 68 2HE2 GLN 8 HE22 GLN 8 -6.115 6.091 -8.971 69 H LYS 9 HN LYS 9 -1.129 6.964 -5.259 70 HA LYS 9 HA LYS 9 1.200 6.229 -6.498 71 1HB LYS 9 HB2 LYS 9 0.849 8.324 -4.347 72 2HB LYS 9 HB3 LYS 9 2.211 8.236 -5.453 73 1HG LYS 9 HG2 LYS 9 0.886 8.831 -7.296 74 2HG LYS 9 HG3 LYS 9 -0.617 8.522 -6.420 75 1HD LYS 9 HD2 LYS 9 -0.223 10.404 -4.977 76 2HD LYS 9 HD3 LYS 9 1.373 10.664 -5.681 77 1HE LYS 9 HE2 LYS 9 -1.228 10.877 -7.191 78 2HE LYS 9 HE3 LYS 9 -0.351 12.246 -6.508 79 1HZ LYS 9 HZ1 LYS 9 0.497 10.453 -8.712 80 2HZ LYS 9 HZ2 LYS 9 1.580 11.479 -7.907 81 3HZ LYS 9 HZ3 LYS 9 0.269 12.136 -8.757 82 H LYS 10 HN LYS 10 0.383 5.969 -3.122 83 HA LYS 10 HA LYS 10 3.137 5.363 -2.380 84 1HB LYS 10 HB2 LYS 10 0.647 5.989 -0.830 85 2HB LYS 10 HB3 LYS 10 2.068 5.340 -0.031 86 1HG LYS 10 HG2 LYS 10 3.376 7.248 -0.694 87 2HG LYS 10 HG3 LYS 10 2.041 7.867 -1.670 88 1HD LYS 10 HD2 LYS 10 0.709 8.270 0.268 89 2HD LYS 10 HD3 LYS 10 1.850 7.411 1.302 90 1HE LYS 10 HE2 LYS 10 2.468 9.955 -0.197 91 2HE LYS 10 HE3 LYS 10 1.984 9.883 1.498 92 1HZ LYS 10 HZ1 LYS 10 4.254 9.923 1.669 93 2HZ LYS 10 HZ2 LYS 10 4.507 9.038 0.252 94 3HZ LYS 10 HZ3 LYS 10 3.987 8.251 1.659 95 H HIS 11 HN HIS 11 0.249 3.553 -3.023 96 HA HIS 11 HA HIS 11 1.470 1.291 -1.585 97 1HB HIS 11 HB2 HIS 11 -1.413 2.140 -1.435 98 2HB HIS 11 HB3 HIS 11 -0.834 0.572 -0.890 99 HD1 HIS 11 HD1 HIS 11 1.146 0.764 1.034 100 HD2 HIS 11 HD2 HIS 11 -1.347 4.053 0.472 101 HE1 HIS 11 HE1 HIS 11 1.363 2.149 3.123 102 HE2 HIS 11 HE2 HIS 11 -0.205 4.103 2.797 103 H ILE 12 HN ILE 12 0.111 2.313 -4.514 104 HA ILE 12 HA ILE 12 -0.713 -0.422 -5.189 105 HB ILE 12 HB ILE 12 -1.194 2.146 -6.713 106 1HG1 ILE 12 HG12 ILE 12 -2.470 2.025 -4.632 107 2HG1 ILE 12 HG13 ILE 12 -3.533 1.865 -6.021 108 1HG2 ILE 12 HG21 ILE 12 -2.751 0.796 -8.073 109 2HG2 ILE 12 HG22 ILE 12 -1.072 0.276 -8.239 110 3HG2 ILE 12 HG23 ILE 12 -2.187 -0.652 -7.236 111 1HD1 ILE 12 HD11 ILE 12 -2.542 -0.389 -4.289 112 2HD1 ILE 12 HD12 ILE 12 -4.150 0.336 -4.235 113 3HD1 ILE 12 HD13 ILE 12 -3.627 -0.544 -5.670 114 H THR 13 HN THR 13 0.930 -1.619 -5.900 115 HA THR 13 HA THR 13 2.645 -0.447 -7.986 116 HB THR 13 HB THR 13 3.980 -0.896 -5.957 117 HG1 THR 13 HG1 THR 13 5.270 -2.733 -7.210 118 1HG2 THR 13 HG21 THR 13 4.414 -3.219 -5.267 119 2HG2 THR 13 HG22 THR 13 3.145 -3.768 -6.364 120 3HG2 THR 13 HG23 THR 13 2.735 -2.743 -4.988 121 H ASN 14 HN ASN 14 3.025 -1.684 -9.814 122 HA ASN 14 HA ASN 14 1.390 -4.123 -10.037 123 1HB ASN 14 HB2 ASN 14 0.853 -2.193 -11.581 124 2HB ASN 14 HB3 ASN 14 2.433 -2.431 -12.316 125 1HD2 ASN 14 HD21 ASN 14 2.741 -4.101 -13.722 126 2HD2 ASN 14 HD22 ASN 14 1.469 -5.134 -14.268 127 H THR 15 HN THR 15 4.410 -3.223 -9.405 128 HA THR 15 HA THR 15 5.546 -5.560 -10.775 129 HB THR 15 HB THR 15 6.729 -3.465 -11.298 130 HG1 THR 15 HG1 THR 15 8.755 -4.282 -10.941 131 1HG2 THR 15 HG21 THR 15 8.032 -2.295 -9.578 132 2HG2 THR 15 HG22 THR 15 7.314 -3.322 -8.338 133 3HG2 THR 15 HG23 THR 15 6.302 -2.206 -9.252 134 H ARG 16 HN ARG 16 6.061 -7.256 -9.607 135 HA ARG 16 HA ARG 16 5.176 -7.466 -6.940 136 1HB ARG 16 HB2 ARG 16 5.219 -9.352 -8.530 137 2HB ARG 16 HB3 ARG 16 6.977 -9.318 -8.510 138 1HG ARG 16 HG2 ARG 16 6.081 -11.096 -7.098 139 2HG ARG 16 HG3 ARG 16 6.994 -9.905 -6.170 140 1HD ARG 16 HD2 ARG 16 4.986 -8.885 -5.369 141 2HD ARG 16 HD3 ARG 16 3.995 -9.870 -6.444 142 HE ARG 16 HE ARG 16 4.954 -11.806 -5.058 143 1HH1 ARG 16 HH12 ARG 16 4.412 -8.597 -3.772 144 2HH1 ARG 16 HH11 ARG 16 3.987 -9.161 -2.187 145 1HH2 ARG 16 HH22 ARG 16 4.365 -12.565 -2.978 146 2HH2 ARG 16 HH21 ARG 16 3.920 -11.422 -1.744 147 H ASP 17 HN ASP 17 8.406 -7.297 -8.366 148 HA ASP 17 HA ASP 17 9.581 -6.929 -5.699 149 1HB ASP 17 HB2 ASP 17 10.568 -8.499 -7.489 150 2HB ASP 17 HB3 ASP 17 11.045 -7.042 -8.348 151 H VAL 18 HN VAL 18 8.704 -4.851 -5.309 152 HA VAL 18 HA VAL 18 9.059 -2.740 -7.207 153 HB VAL 18 HB VAL 18 7.164 -2.458 -5.838 154 1HG1 VAL 18 HG11 VAL 18 7.710 -3.857 -3.956 155 2HG1 VAL 18 HG12 VAL 18 8.954 -2.719 -3.429 156 3HG1 VAL 18 HG13 VAL 18 7.253 -2.248 -3.389 157 1HG2 VAL 18 HG21 VAL 18 7.599 -0.308 -4.677 158 2HG2 VAL 18 HG22 VAL 18 9.328 -0.568 -4.929 159 3HG2 VAL 18 HG23 VAL 18 8.249 -0.379 -6.314 160 H ASP 19 HN ASP 19 10.643 -1.256 -7.359 161 HA ASP 19 HA ASP 19 13.083 -1.861 -5.966 162 1HB ASP 19 HB2 ASP 19 12.867 -1.158 -8.437 163 2HB ASP 19 HB3 ASP 19 12.695 0.482 -7.818 164 H CYS 20 HN CYS 20 12.440 -1.372 -3.852 165 HA CYS 20 HA CYS 20 11.384 0.970 -2.884 166 1HB CYS 20 HB2 CYS 20 13.534 -0.513 -1.403 167 2HB CYS 20 HB3 CYS 20 12.101 0.291 -0.763 168 H ASP 21 HN ASP 21 14.827 0.199 -3.332 169 HA ASP 21 HA ASP 21 15.809 2.526 -2.096 170 1HB ASP 21 HB2 ASP 21 17.073 0.613 -4.048 171 2HB ASP 21 HB3 ASP 21 17.948 1.957 -3.323 172 H ASN 22 HN ASN 22 14.393 2.144 -5.168 173 HA ASN 22 HA ASN 22 15.551 4.697 -6.055 174 1HB ASN 22 HB2 ASN 22 15.592 2.690 -7.602 175 2HB ASN 22 HB3 ASN 22 13.839 2.790 -7.660 176 1HD2 ASN 22 HD21 ASN 22 15.738 3.014 -9.811 177 2HD2 ASN 22 HD22 ASN 22 15.497 4.569 -10.531 178 H ILE 23 HN ILE 23 12.432 3.014 -5.876 179 HA ILE 23 HA ILE 23 10.897 5.275 -6.557 180 HB ILE 23 HB ILE 23 10.129 2.698 -5.188 181 1HG1 ILE 23 HG12 ILE 23 9.785 3.714 -8.022 182 2HG1 ILE 23 HG13 ILE 23 10.937 2.493 -7.495 183 1HG2 ILE 23 HG21 ILE 23 8.529 4.459 -4.578 184 2HG2 ILE 23 HG22 ILE 23 8.282 4.818 -6.287 185 3HG2 ILE 23 HG23 ILE 23 7.801 3.248 -5.635 186 1HD1 ILE 23 HD11 ILE 23 9.099 1.011 -6.904 187 2HD1 ILE 23 HD12 ILE 23 7.941 2.237 -7.417 188 3HD1 ILE 23 HD13 ILE 23 9.021 1.496 -8.597 189 H LEU 24 HN LEU 24 11.971 4.025 -3.424 190 HA LEU 24 HA LEU 24 10.243 5.816 -1.964 191 1HB LEU 24 HB2 LEU 24 12.593 4.247 -0.914 192 2HB LEU 24 HB3 LEU 24 11.330 4.998 0.039 193 HG LEU 24 HG LEU 24 11.094 2.582 -1.742 194 1HD1 LEU 24 HD11 LEU 24 10.433 1.474 0.313 195 2HD1 LEU 24 HD12 LEU 24 12.029 2.208 0.480 196 3HD1 LEU 24 HD13 LEU 24 10.619 2.986 1.202 197 1HD2 LEU 24 HD21 LEU 24 8.915 4.099 -0.332 198 2HD2 LEU 24 HD22 LEU 24 9.099 3.886 -2.074 199 3HD2 LEU 24 HD23 LEU 24 8.747 2.494 -1.046 200 H SER 25 HN SER 25 13.221 6.119 -3.524 201 HA SER 25 HA SER 25 14.371 8.045 -1.726 202 1HB SER 25 HB2 SER 25 15.097 7.296 -4.568 203 2HB SER 25 HB3 SER 25 16.035 8.388 -3.546 204 HG SER 25 HG SER 25 16.047 5.696 -3.605 205 H THR 26 HN THR 26 11.886 8.160 -3.949 206 HA THR 26 HA THR 26 12.243 10.790 -4.982 207 HB THR 26 HB THR 26 9.860 10.655 -5.606 208 HG1 THR 26 HG1 THR 26 9.698 8.017 -4.653 209 1HG2 THR 26 HG21 THR 26 11.527 9.642 -7.073 210 2HG2 THR 26 HG22 THR 26 10.022 8.722 -7.105 211 3HG2 THR 26 HG23 THR 26 11.403 8.124 -6.182 212 H ASN 27 HN ASN 27 10.646 12.549 -4.505 213 HA ASN 27 HA ASN 27 10.717 13.215 -1.735 214 1HB ASN 27 HB2 ASN 27 10.825 14.900 -3.536 215 2HB ASN 27 HB3 ASN 27 9.174 14.510 -3.995 216 1HD2 ASN 27 HD21 ASN 27 7.490 15.325 -2.829 217 2HD2 ASN 27 HD22 ASN 27 7.688 16.484 -1.557 218 H LEU 28 HN LEU 28 8.592 11.362 -3.587 219 HA LEU 28 HA LEU 28 6.132 11.881 -2.282 220 1HB LEU 28 HB2 LEU 28 6.252 10.805 -4.471 221 2HB LEU 28 HB3 LEU 28 7.079 9.430 -3.768 222 HG LEU 28 HG LEU 28 5.051 8.925 -2.431 223 1HD1 LEU 28 HD11 LEU 28 4.118 11.184 -2.349 224 2HD1 LEU 28 HD12 LEU 28 3.782 11.109 -4.078 225 3HD1 LEU 28 HD13 LEU 28 2.949 10.019 -2.969 226 1HD2 LEU 28 HD21 LEU 28 3.748 8.036 -4.272 227 2HD2 LEU 28 HD22 LEU 28 4.569 9.113 -5.401 228 3HD2 LEU 28 HD23 LEU 28 5.471 7.836 -4.587 229 H PHE 29 HN PHE 29 8.859 9.848 -1.543 230 HA PHE 29 HA PHE 29 7.448 8.924 0.876 231 1HB PHE 29 HB2 PHE 29 9.714 7.543 -0.582 232 2HB PHE 29 HB3 PHE 29 8.914 6.955 0.872 233 HD1 PHE 29 HD1 PHE 29 8.835 7.105 -2.711 234 HD2 PHE 29 HD2 PHE 29 6.484 6.340 0.749 235 HE1 PHE 29 HE1 PHE 29 7.183 5.919 -4.099 236 HE2 PHE 29 HE2 PHE 29 4.828 5.158 -0.626 237 HZ PHE 29 HZ PHE 29 5.176 4.963 -3.077 238 H HIS 30 HN HIS 30 10.417 10.167 -0.496 239 HA HIS 30 HA HIS 30 12.109 11.398 0.352 240 1HB HIS 30 HB2 HIS 30 10.060 12.516 1.494 241 2HB HIS 30 HB3 HIS 30 10.621 11.699 2.949 242 HD1 HIS 30 HD1 HIS 30 12.458 12.824 4.239 243 HD2 HIS 30 HD2 HIS 30 12.009 14.375 0.405 244 HE1 HIS 30 HE1 HIS 30 13.952 14.845 4.145 245 HE2 HIS 30 HE2 HIS 30 13.467 15.899 1.909 246 H CYS 31 HN CYS 31 12.032 8.559 0.673 247 HA CYS 31 HA CYS 31 13.062 6.825 1.692 248 1HB CYS 31 HB2 CYS 31 14.853 8.957 2.870 249 2HB CYS 31 HB3 CYS 31 15.227 7.244 2.725 250 H LYS 32 HN LYS 32 10.969 6.786 2.930 251 HA LYS 32 HA LYS 32 11.040 7.601 5.673 252 1HB LYS 32 HB2 LYS 32 8.872 6.595 5.852 253 2HB LYS 32 HB3 LYS 32 8.951 7.475 4.336 254 1HG LYS 32 HG2 LYS 32 9.511 5.192 3.279 255 2HG LYS 32 HG3 LYS 32 8.927 4.515 4.794 256 1HD LYS 32 HD2 LYS 32 7.307 6.461 3.177 257 2HD LYS 32 HD3 LYS 32 7.251 4.723 2.890 258 1HE LYS 32 HE2 LYS 32 5.426 5.288 4.319 259 2HE LYS 32 HE3 LYS 32 6.624 4.422 5.276 260 1HZ LYS 32 HZ1 LYS 32 5.647 6.383 6.393 261 2HZ LYS 32 HZ2 LYS 32 6.377 7.383 5.236 262 3HZ LYS 32 HZ3 LYS 32 7.332 6.441 6.271 263 H ASP 33 HN ASP 33 10.261 5.693 7.267 264 HA ASP 33 HA ASP 33 12.529 3.993 7.537 265 1HB ASP 33 HB2 ASP 33 9.881 3.989 9.003 266 2HB ASP 33 HB3 ASP 33 11.251 2.971 9.429 267 H LYS 34 HN LYS 34 9.106 3.325 6.811 268 HA LYS 34 HA LYS 34 9.848 1.008 5.269 269 1HB LYS 34 HB2 LYS 34 9.943 -0.110 7.312 270 2HB LYS 34 HB3 LYS 34 8.618 0.808 8.000 271 1HG LYS 34 HG2 LYS 34 8.067 -1.049 5.736 272 2HG LYS 34 HG3 LYS 34 8.349 -1.712 7.348 273 1HD LYS 34 HD2 LYS 34 6.589 -0.095 8.177 274 2HD LYS 34 HD3 LYS 34 6.212 0.221 6.483 275 1HE LYS 34 HE2 LYS 34 5.797 -2.200 6.169 276 2HE LYS 34 HE3 LYS 34 6.065 -2.439 7.894 277 1HZ LYS 34 HZ1 LYS 34 3.930 -0.780 6.680 278 2HZ LYS 34 HZ2 LYS 34 4.186 -0.969 8.343 279 3HZ LYS 34 HZ3 LYS 34 3.719 -2.296 7.398 280 H ASN 35 HN ASN 35 8.309 0.396 3.837 281 HA ASN 35 HA ASN 35 5.647 1.609 4.031 282 1HB ASN 35 HB2 ASN 35 7.076 3.070 2.552 283 2HB ASN 35 HB3 ASN 35 7.244 1.696 1.467 284 1HD2 ASN 35 HD21 ASN 35 6.184 2.673 -0.225 285 2HD2 ASN 35 HD22 ASN 35 4.481 2.971 -0.221 286 H THR 36 HN THR 36 4.034 0.306 3.222 287 HA THR 36 HA THR 36 4.909 -2.287 2.140 288 HB THR 36 HB THR 36 2.261 -1.716 3.475 289 HG1 THR 36 HG1 THR 36 4.659 -2.788 4.627 290 1HG2 THR 36 HG21 THR 36 2.207 -4.157 3.770 291 2HG2 THR 36 HG22 THR 36 3.751 -4.290 2.930 292 3HG2 THR 36 HG23 THR 36 2.326 -3.718 2.067 293 H PHE 37 HN PHE 37 4.571 -2.508 0.022 294 HA PHE 37 HA PHE 37 2.446 -0.952 -1.268 295 1HB PHE 37 HB2 PHE 37 4.666 -2.609 -2.488 296 2HB PHE 37 HB3 PHE 37 3.497 -1.658 -3.390 297 HD1 PHE 37 HD1 PHE 37 6.367 -1.443 -1.039 298 HD2 PHE 37 HD2 PHE 37 3.803 0.644 -3.735 299 HE1 PHE 37 HE1 PHE 37 7.815 0.527 -0.893 300 HE2 PHE 37 HE2 PHE 37 5.272 2.611 -3.599 301 HZ PHE 37 HZ PHE 37 7.406 2.445 -2.296 302 H ILE 38 HN ILE 38 0.982 -1.933 -2.697 303 HA ILE 38 HA ILE 38 0.423 -4.762 -2.105 304 HB ILE 38 HB ILE 38 -1.471 -2.627 -3.106 305 1HG1 ILE 38 HG12 ILE 38 -1.445 -3.857 -0.352 306 2HG1 ILE 38 HG13 ILE 38 -0.564 -2.379 -0.722 307 1HG2 ILE 38 HG21 ILE 38 -2.048 -5.412 -2.091 308 2HG2 ILE 38 HG22 ILE 38 -3.233 -4.238 -2.670 309 3HG2 ILE 38 HG23 ILE 38 -2.051 -4.926 -3.786 310 1HD1 ILE 38 HD11 ILE 38 -2.657 -1.312 -1.385 311 2HD1 ILE 38 HD12 ILE 38 -3.530 -2.789 -0.972 312 3HD1 ILE 38 HD13 ILE 38 -2.693 -1.877 0.285 313 H TYR 39 HN TYR 39 1.003 -6.071 -3.719 314 HA TYR 39 HA TYR 39 1.271 -5.103 -6.424 315 1HB TYR 39 HB2 TYR 39 2.887 -6.739 -5.654 316 2HB TYR 39 HB3 TYR 39 1.605 -7.863 -5.230 317 HD1 TYR 39 HD1 TYR 39 2.622 -5.915 -8.264 318 HD2 TYR 39 HD2 TYR 39 1.378 -9.647 -6.647 319 HE1 TYR 39 HE1 TYR 39 2.757 -6.926 -10.501 320 HE2 TYR 39 HE2 TYR 39 1.512 -10.665 -8.878 321 HH TYR 39 HH TYR 39 2.908 -8.984 -11.592 322 H SER 40 HN SER 40 -0.765 -4.465 -6.949 323 HA SER 40 HA SER 40 -2.494 -6.401 -8.069 324 1HB SER 40 HB2 SER 40 -3.060 -6.585 -5.583 325 2HB SER 40 HB3 SER 40 -3.631 -4.923 -5.675 326 HG SER 40 HG SER 40 -4.795 -7.253 -6.582 327 H ARG 41 HN ARG 41 -4.721 -5.042 -8.528 328 HA ARG 41 HA ARG 41 -3.748 -2.536 -9.671 329 1HB ARG 41 HB2 ARG 41 -6.102 -4.280 -10.323 330 2HB ARG 41 HB3 ARG 41 -6.001 -2.630 -10.902 331 1HG ARG 41 HG2 ARG 41 -3.963 -4.774 -11.434 332 2HG ARG 41 HG3 ARG 41 -5.214 -4.248 -12.564 333 1HD ARG 41 HD2 ARG 41 -4.290 -1.988 -12.521 334 2HD ARG 41 HD3 ARG 41 -3.041 -2.511 -11.399 335 HE ARG 41 HE ARG 41 -2.752 -4.174 -13.540 336 1HH1 ARG 41 HH12 ARG 41 -2.837 -0.688 -13.128 337 2HH1 ARG 41 HH11 ARG 41 -1.700 -0.393 -14.406 338 1HH2 ARG 41 HH22 ARG 41 -1.234 -3.773 -15.218 339 2HH2 ARG 41 HH21 ARG 41 -0.788 -2.132 -15.590 340 HA PRO 42 HA PRO 42 -5.915 0.113 -6.951 341 1HB PRO 42 HB2 PRO 42 -6.998 1.882 -8.787 342 2HB PRO 42 HB3 PRO 42 -5.350 1.955 -8.164 343 1HG PRO 42 HG2 PRO 42 -6.361 0.869 -10.741 344 2HG PRO 42 HG3 PRO 42 -4.857 1.736 -10.401 345 1HD PRO 42 HD2 PRO 42 -4.948 -0.944 -10.762 346 2HD PRO 42 HD3 PRO 42 -3.786 -0.163 -9.666 347 H GLU 43 HN GLU 43 -7.695 -1.168 -9.736 348 HA GLU 43 HA GLU 43 -10.228 -0.259 -8.883 349 1HB GLU 43 HB2 GLU 43 -9.344 -2.360 -10.828 350 2HB GLU 43 HB3 GLU 43 -11.040 -2.084 -10.486 351 1HG GLU 43 HG2 GLU 43 -9.078 -0.097 -11.600 352 2HG GLU 43 HG3 GLU 43 -10.402 -0.879 -12.461 353 HA PRO 44 HA PRO 44 -10.933 -4.758 -7.166 354 1HB PRO 44 HB2 PRO 44 -8.627 -6.137 -6.585 355 2HB PRO 44 HB3 PRO 44 -9.589 -6.363 -8.046 356 1HG PRO 44 HG2 PRO 44 -7.094 -4.776 -7.638 357 2HG PRO 44 HG3 PRO 44 -7.568 -5.787 -9.014 358 1HD PRO 44 HD2 PRO 44 -7.749 -3.102 -9.092 359 2HD PRO 44 HD3 PRO 44 -8.914 -4.143 -9.912 360 H VAL 45 HN VAL 45 -8.312 -2.667 -6.204 361 HA VAL 45 HA VAL 45 -8.571 -3.405 -3.397 362 HB VAL 45 HB VAL 45 -6.864 -1.279 -4.715 363 1HG1 VAL 45 HG11 VAL 45 -7.390 -0.640 -2.427 364 2HG1 VAL 45 HG12 VAL 45 -6.884 -2.228 -1.852 365 3HG1 VAL 45 HG13 VAL 45 -5.700 -1.130 -2.559 366 1HG2 VAL 45 HG21 VAL 45 -6.188 -3.538 -5.292 367 2HG2 VAL 45 HG22 VAL 45 -5.008 -2.800 -4.209 368 3HG2 VAL 45 HG23 VAL 45 -6.159 -3.983 -3.586 369 H LYS 46 HN LYS 46 -9.470 -0.803 -5.574 370 HA LYS 46 HA LYS 46 -10.600 0.917 -3.603 371 1HB LYS 46 HB2 LYS 46 -9.926 1.491 -5.992 372 2HB LYS 46 HB3 LYS 46 -11.409 0.706 -6.502 373 1HG LYS 46 HG2 LYS 46 -12.687 2.331 -5.128 374 2HG LYS 46 HG3 LYS 46 -11.164 3.144 -4.756 375 1HD LYS 46 HD2 LYS 46 -10.781 3.468 -7.164 376 2HD LYS 46 HD3 LYS 46 -12.351 2.738 -7.496 377 1HE LYS 46 HE2 LYS 46 -13.402 4.523 -6.139 378 2HE LYS 46 HE3 LYS 46 -11.820 5.278 -5.966 379 1HZ LYS 46 HZ1 LYS 46 -11.712 5.503 -8.376 380 2HZ LYS 46 HZ2 LYS 46 -13.078 6.292 -7.757 381 3HZ LYS 46 HZ3 LYS 46 -13.243 4.794 -8.531 382 H ALA 47 HN ALA 47 -11.723 -1.797 -5.493 383 HA ALA 47 HA ALA 47 -14.484 -1.564 -5.031 384 1HB ALA 47 HB1 ALA 47 -14.624 -3.888 -5.746 385 2HB ALA 47 HB2 ALA 47 -13.527 -2.977 -6.784 386 3HB ALA 47 HB3 ALA 47 -12.879 -4.063 -5.554 387 H ILE 48 HN ILE 48 -11.971 -2.438 -2.905 388 HA ILE 48 HA ILE 48 -13.451 -4.106 -1.136 389 HB ILE 48 HB ILE 48 -11.087 -2.338 -0.447 390 1HG1 ILE 48 HG12 ILE 48 -11.091 -5.223 -1.374 391 2HG1 ILE 48 HG13 ILE 48 -10.685 -3.855 -2.405 392 1HG2 ILE 48 HG21 ILE 48 -12.171 -4.847 0.843 393 2HG2 ILE 48 HG22 ILE 48 -10.691 -4.012 1.312 394 3HG2 ILE 48 HG23 ILE 48 -12.252 -3.214 1.502 395 1HD1 ILE 48 HD11 ILE 48 -9.214 -4.685 0.081 396 2HD1 ILE 48 HD12 ILE 48 -8.701 -4.978 -1.581 397 3HD1 ILE 48 HD13 ILE 48 -8.797 -3.328 -0.966 398 H CYS 49 HN CYS 49 -13.187 -0.714 -1.683 399 HA CYS 49 HA CYS 49 -14.618 -0.089 0.793 400 1HB CYS 49 HB2 CYS 49 -13.113 1.683 -1.137 401 2HB CYS 49 HB3 CYS 49 -13.935 2.250 0.313 402 H LYS 50 HN LYS 50 -15.421 -0.922 -2.208 403 HA LYS 50 HA LYS 50 -17.132 1.097 -3.131 404 1HB LYS 50 HB2 LYS 50 -16.386 -0.897 -4.455 405 2HB LYS 50 HB3 LYS 50 -17.493 -1.881 -3.507 406 1HG LYS 50 HG2 LYS 50 -19.366 -0.486 -4.317 407 2HG LYS 50 HG3 LYS 50 -18.225 0.391 -5.340 408 1HD LYS 50 HD2 LYS 50 -19.302 -1.275 -6.681 409 2HD LYS 50 HD3 LYS 50 -17.634 -1.786 -6.413 410 1HE LYS 50 HE2 LYS 50 -18.400 -3.260 -4.598 411 2HE LYS 50 HE3 LYS 50 -20.063 -2.770 -4.920 412 1HZ LYS 50 HZ1 LYS 50 -19.588 -4.868 -5.970 413 2HZ LYS 50 HZ2 LYS 50 -18.260 -4.212 -6.793 414 3HZ LYS 50 HZ3 LYS 50 -19.833 -3.690 -7.167 415 H GLY 51 HN GLY 51 -18.842 1.917 -2.179 416 1HA GLY 51 HA1 GLY 51 -21.043 1.789 -1.364 417 2HA GLY 51 HA2 GLY 51 -20.737 0.137 -0.850 418 H ILE 52 HN ILE 52 -18.151 2.051 0.068 419 HA ILE 52 HA ILE 52 -19.293 2.323 2.779 420 HB ILE 52 HB ILE 52 -16.352 2.237 2.138 421 1HG1 ILE 52 HG12 ILE 52 -17.372 0.157 1.303 422 2HG1 ILE 52 HG13 ILE 52 -16.359 -0.143 2.706 423 1HG2 ILE 52 HG21 ILE 52 -17.909 1.693 4.662 424 2HG2 ILE 52 HG22 ILE 52 -16.155 1.600 4.494 425 3HG2 ILE 52 HG23 ILE 52 -16.980 3.148 4.307 426 1HD1 ILE 52 HD11 ILE 52 -18.386 -1.454 2.804 427 2HD1 ILE 52 HD12 ILE 52 -18.362 -0.268 4.109 428 3HD1 ILE 52 HD13 ILE 52 -19.363 0.009 2.682 429 H ILE 53 HN ILE 53 -20.097 4.425 2.635 430 HA ILE 53 HA ILE 53 -18.477 6.528 1.521 431 HB ILE 53 HB ILE 53 -21.219 6.488 2.761 432 1HG1 ILE 53 HG12 ILE 53 -21.903 7.223 0.517 433 2HG1 ILE 53 HG13 ILE 53 -20.233 7.195 -0.014 434 1HG2 ILE 53 HG21 ILE 53 -19.703 8.908 1.790 435 2HG2 ILE 53 HG22 ILE 53 -21.412 8.877 2.225 436 3HG2 ILE 53 HG23 ILE 53 -20.184 8.571 3.454 437 1HD1 ILE 53 HD11 ILE 53 -21.854 4.814 0.855 438 2HD1 ILE 53 HD12 ILE 53 -21.462 5.259 -0.808 439 3HD1 ILE 53 HD13 ILE 53 -20.177 4.784 0.304 440 H ALA 54 HN ALA 54 -19.702 5.695 4.764 441 HA ALA 54 HA ALA 54 -18.322 7.915 5.981 442 1HB ALA 54 HB1 ALA 54 -20.414 7.115 6.934 443 2HB ALA 54 HB2 ALA 54 -19.691 5.537 7.239 444 3HB ALA 54 HB3 ALA 54 -19.104 6.958 8.102 445 H SER 55 HN SER 55 -16.441 7.869 7.160 446 HA SER 55 HA SER 55 -14.372 6.221 6.427 447 1HB SER 55 HB2 SER 55 -13.270 7.041 8.576 448 2HB SER 55 HB3 SER 55 -13.858 8.286 7.474 449 HG SER 55 HG SER 55 -15.659 7.387 9.397 450 H LYS 56 HN LYS 56 -14.489 4.073 6.530 451 HA LYS 56 HA LYS 56 -14.940 2.826 9.156 452 1HB LYS 56 HB2 LYS 56 -17.006 2.663 7.846 453 2HB LYS 56 HB3 LYS 56 -16.118 1.951 6.509 454 1HG LYS 56 HG2 LYS 56 -15.579 0.017 7.957 455 2HG LYS 56 HG3 LYS 56 -16.587 0.727 9.221 456 1HD LYS 56 HD2 LYS 56 -18.521 0.651 7.737 457 2HD LYS 56 HD3 LYS 56 -17.524 -0.023 6.451 458 1HE LYS 56 HE2 LYS 56 -18.754 -1.805 7.474 459 2HE LYS 56 HE3 LYS 56 -17.056 -1.976 7.912 460 1HZ LYS 56 HZ1 LYS 56 -19.136 -0.749 9.642 461 2HZ LYS 56 HZ2 LYS 56 -17.520 -1.052 10.066 462 3HZ LYS 56 HZ3 LYS 56 -18.579 -2.345 9.784 463 H ASN 57 HN ASN 57 -13.282 1.557 9.686 464 HA ASN 57 HA ASN 57 -11.260 0.844 7.775 465 1HB ASN 57 HB2 ASN 57 -11.637 0.053 10.674 466 2HB ASN 57 HB3 ASN 57 -10.236 -0.386 9.704 467 1HD2 ASN 57 HD21 ASN 57 -10.385 1.171 12.140 468 2HD2 ASN 57 HD22 ASN 57 -9.684 2.717 11.775 469 H VAL 58 HN VAL 58 -11.376 -0.848 6.448 470 HA VAL 58 HA VAL 58 -13.006 -3.136 7.324 471 HB VAL 58 HB VAL 58 -13.735 -3.536 5.093 472 1HG1 VAL 58 HG11 VAL 58 -14.997 -1.481 4.591 473 2HG1 VAL 58 HG12 VAL 58 -15.054 -1.927 6.297 474 3HG1 VAL 58 HG13 VAL 58 -14.001 -0.617 5.764 475 1HG2 VAL 58 HG21 VAL 58 -11.992 -1.244 4.224 476 2HG2 VAL 58 HG22 VAL 58 -11.711 -2.953 3.890 477 3HG2 VAL 58 HG23 VAL 58 -13.111 -2.136 3.194 478 H LEU 59 HN LEU 59 -12.188 -5.134 7.078 479 HA LEU 59 HA LEU 59 -9.383 -5.326 6.262 480 1HB LEU 59 HB2 LEU 59 -10.154 -5.958 8.586 481 2HB LEU 59 HB3 LEU 59 -11.047 -7.263 7.858 482 HG LEU 59 HG LEU 59 -8.777 -7.760 8.943 483 1HD1 LEU 59 HD11 LEU 59 -9.339 -8.731 6.163 484 2HD1 LEU 59 HD12 LEU 59 -8.283 -9.508 7.343 485 3HD1 LEU 59 HD13 LEU 59 -10.013 -9.385 7.656 486 1HD2 LEU 59 HD21 LEU 59 -6.859 -7.547 7.452 487 2HD2 LEU 59 HD22 LEU 59 -7.854 -6.626 6.321 488 3HD2 LEU 59 HD23 LEU 59 -7.518 -5.979 7.929 489 H THR 60 HN THR 60 -8.768 -6.745 4.657 490 HA THR 60 HA THR 60 -10.757 -7.276 2.695 491 HB THR 60 HB THR 60 -8.897 -8.327 1.406 492 HG1 THR 60 HG1 THR 60 -7.226 -8.962 2.515 493 1HG2 THR 60 HG21 THR 60 -7.660 -6.262 1.066 494 2HG2 THR 60 HG22 THR 60 -8.249 -5.633 2.603 495 3HG2 THR 60 HG23 THR 60 -9.376 -5.914 1.277 496 H THR 61 HN THR 61 -11.340 -9.245 1.758 497 HA THR 61 HA THR 61 -11.876 -11.292 3.691 498 HB THR 61 HB THR 61 -12.942 -12.424 1.681 499 HG1 THR 61 HG1 THR 61 -12.105 -11.617 -0.127 500 1HG2 THR 61 HG21 THR 61 -14.793 -10.794 1.551 501 2HG2 THR 61 HG22 THR 61 -13.767 -9.596 2.346 502 3HG2 THR 61 HG23 THR 61 -14.253 -11.056 3.211 503 H SER 62 HN SER 62 -9.460 -10.735 1.353 504 HA SER 62 HA SER 62 -8.433 -13.460 1.643 505 1HB SER 62 HB2 SER 62 -7.768 -13.192 -0.857 506 2HB SER 62 HB3 SER 62 -9.437 -13.618 -0.474 507 HG SER 62 HG SER 62 -8.911 -11.760 -2.019 508 H GLU 63 HN GLU 63 -6.127 -13.630 0.986 509 HA GLU 63 HA GLU 63 -4.669 -11.299 1.921 510 1HB GLU 63 HB2 GLU 63 -3.570 -13.968 1.031 511 2HB GLU 63 HB3 GLU 63 -2.706 -12.715 1.898 512 1HG GLU 63 HG2 GLU 63 -4.124 -13.027 3.836 513 2HG GLU 63 HG3 GLU 63 -5.053 -14.246 2.976 514 H PHE 64 HN PHE 64 -3.537 -9.952 0.695 515 HA PHE 64 HA PHE 64 -3.472 -10.470 -2.192 516 1HB PHE 64 HB2 PHE 64 -3.331 -7.920 -0.595 517 2HB PHE 64 HB3 PHE 64 -2.901 -7.982 -2.297 518 HD1 PHE 64 HD1 PHE 64 -4.547 -7.635 -3.900 519 HD2 PHE 64 HD2 PHE 64 -5.680 -8.840 0.023 520 HE1 PHE 64 HE1 PHE 64 -6.915 -7.353 -4.502 521 HE2 PHE 64 HE2 PHE 64 -8.049 -8.556 -0.571 522 HZ PHE 64 HZ PHE 64 -8.659 -7.779 -2.863 523 H TYR 65 HN TYR 65 -1.502 -9.548 -3.293 524 HA TYR 65 HA TYR 65 0.789 -10.717 -1.963 525 1HB TYR 65 HB2 TYR 65 0.487 -9.601 -4.763 526 2HB TYR 65 HB3 TYR 65 1.907 -10.451 -4.150 527 HD1 TYR 65 HD1 TYR 65 -1.417 -10.788 -5.501 528 HD2 TYR 65 HD2 TYR 65 1.716 -12.859 -3.503 529 HE1 TYR 65 HE1 TYR 65 -2.410 -12.927 -6.185 530 HE2 TYR 65 HE2 TYR 65 0.721 -15.014 -4.173 531 HH TYR 65 HH TYR 65 -1.501 -15.901 -4.848 532 H LEU 66 HN LEU 66 1.687 -9.436 -0.511 533 HA LEU 66 HA LEU 66 1.842 -6.572 -1.075 534 1HB LEU 66 HB2 LEU 66 2.366 -8.023 1.515 535 2HB LEU 66 HB3 LEU 66 2.228 -6.289 1.294 536 HG LEU 66 HG LEU 66 0.012 -8.298 0.937 537 1HD1 LEU 66 HD11 LEU 66 0.490 -6.204 3.045 538 2HD1 LEU 66 HD12 LEU 66 -0.967 -7.186 2.894 539 3HD1 LEU 66 HD13 LEU 66 0.578 -7.950 3.265 540 1HD2 LEU 66 HD21 LEU 66 -1.439 -6.335 0.663 541 2HD2 LEU 66 HD22 LEU 66 -0.016 -5.295 0.681 542 3HD2 LEU 66 HD23 LEU 66 -0.242 -6.460 -0.625 543 H SER 67 HN SER 67 3.733 -5.469 -1.060 544 HA SER 67 HA SER 67 6.219 -7.036 -0.801 545 1HB SER 67 HB2 SER 67 5.712 -4.806 -2.800 546 2HB SER 67 HB3 SER 67 7.181 -5.767 -2.646 547 HG SER 67 HG SER 67 6.169 -6.850 -4.184 548 H ASP 68 HN ASP 68 7.255 -6.299 0.896 549 HA ASP 68 HA ASP 68 6.525 -3.645 1.908 550 1HB ASP 68 HB2 ASP 68 6.026 -5.670 3.286 551 2HB ASP 68 HB3 ASP 68 7.756 -5.977 3.382 552 H CYS 69 HN CYS 69 7.958 -2.091 1.938 553 HA CYS 69 HA CYS 69 10.792 -2.755 1.529 554 1HB CYS 69 HB2 CYS 69 9.262 -0.186 1.058 555 2HB CYS 69 HB3 CYS 69 10.994 -0.373 0.815 556 H ASN 70 HN ASN 70 12.031 -2.633 3.283 557 HA ASN 70 HA ASN 70 11.393 -0.606 5.309 558 1HB ASN 70 HB2 ASN 70 12.060 -2.283 7.073 559 2HB ASN 70 HB3 ASN 70 10.534 -2.617 6.266 560 1HD2 ASN 70 HD21 ASN 70 10.342 -4.390 4.946 561 2HD2 ASN 70 HD22 ASN 70 11.541 -5.639 4.879 562 H VAL 71 HN VAL 71 13.070 0.406 6.222 563 HA VAL 71 HA VAL 71 15.515 0.421 4.809 564 HB VAL 71 HB VAL 71 14.522 2.397 5.933 565 1HG1 VAL 71 HG11 VAL 71 15.447 1.072 8.473 566 2HG1 VAL 71 HG12 VAL 71 14.852 2.726 8.335 567 3HG1 VAL 71 HG13 VAL 71 13.777 1.370 7.994 568 1HG2 VAL 71 HG21 VAL 71 17.326 1.733 6.827 569 2HG2 VAL 71 HG22 VAL 71 16.866 2.415 5.267 570 3HG2 VAL 71 HG23 VAL 71 16.621 3.349 6.743 571 H THR 72 HN THR 72 17.497 -0.425 5.275 572 HA THR 72 HA THR 72 17.481 -2.597 7.209 573 HB THR 72 HB THR 72 19.679 -3.209 6.142 574 HG1 THR 72 HG1 THR 72 19.547 -1.973 3.860 575 1HG2 THR 72 HG21 THR 72 17.309 -2.931 4.291 576 2HG2 THR 72 HG22 THR 72 17.568 -4.236 5.448 577 3HG2 THR 72 HG23 THR 72 18.663 -4.043 4.079 578 H SER 73 HN SER 73 20.563 -1.361 6.493 579 HA SER 73 HA SER 73 20.822 -0.425 9.263 580 1HB SER 73 HB2 SER 73 23.282 -0.819 8.854 581 2HB SER 73 HB3 SER 73 22.278 -2.269 8.805 582 HG SER 73 HG SER 73 23.920 -1.798 7.039 583 H ARG 74 HN ARG 74 21.406 0.417 5.924 584 HA ARG 74 HA ARG 74 22.529 2.994 6.715 585 1HB ARG 74 HB2 ARG 74 22.435 1.516 4.092 586 2HB ARG 74 HB3 ARG 74 22.926 3.202 4.202 587 1HG ARG 74 HG2 ARG 74 24.768 2.648 5.609 588 2HG ARG 74 HG3 ARG 74 24.224 0.975 5.750 589 1HD ARG 74 HD2 ARG 74 26.050 1.083 4.183 590 2HD ARG 74 HD3 ARG 74 24.564 0.695 3.319 591 HE ARG 74 HE ARG 74 25.626 3.446 3.394 592 1HH1 ARG 74 HH12 ARG 74 24.506 0.641 1.625 593 2HH1 ARG 74 HH11 ARG 74 24.565 1.421 0.073 594 1HH2 ARG 74 HH22 ARG 74 25.737 4.480 1.353 595 2HH2 ARG 74 HH21 ARG 74 25.241 3.621 -0.080 596 HA PRO 75 HA PRO 75 18.834 5.150 6.164 597 1HB PRO 75 HB2 PRO 75 19.744 7.572 5.286 598 2HB PRO 75 HB3 PRO 75 19.876 7.021 6.959 599 1HG PRO 75 HG2 PRO 75 21.939 7.097 4.817 600 2HG PRO 75 HG3 PRO 75 22.114 7.369 6.558 601 1HD PRO 75 HD2 PRO 75 22.814 5.045 5.272 602 2HD PRO 75 HD3 PRO 75 22.395 5.136 6.989 603 H CYS 76 HN CYS 76 17.295 5.166 4.687 604 HA CYS 76 HA CYS 76 16.179 5.149 2.724 605 1HB CYS 76 HB2 CYS 76 17.384 7.343 2.413 606 2HB CYS 76 HB3 CYS 76 18.595 6.474 1.482 607 H LYS 77 HN LYS 77 18.475 3.167 3.461 608 HA LYS 77 HA LYS 77 18.516 1.794 0.859 609 1HB LYS 77 HB2 LYS 77 20.262 1.530 3.307 610 2HB LYS 77 HB3 LYS 77 20.261 0.331 2.020 611 1HG LYS 77 HG2 LYS 77 20.776 3.233 1.457 612 2HG LYS 77 HG3 LYS 77 22.063 2.140 1.974 613 1HD LYS 77 HD2 LYS 77 22.263 1.340 -0.089 614 2HD LYS 77 HD3 LYS 77 20.557 0.898 -0.113 615 1HE LYS 77 HE2 LYS 77 21.569 3.673 -0.709 616 2HE LYS 77 HE3 LYS 77 21.299 2.450 -1.948 617 1HZ LYS 77 HZ1 LYS 77 19.388 3.882 -1.775 618 2HZ LYS 77 HZ2 LYS 77 19.251 3.576 -0.118 619 3HZ LYS 77 HZ3 LYS 77 18.969 2.329 -1.227 620 H TYR 78 HN TYR 78 17.236 0.047 0.610 621 HA TYR 78 HA TYR 78 15.812 -0.829 3.041 622 1HB TYR 78 HB2 TYR 78 14.718 -0.528 0.241 623 2HB TYR 78 HB3 TYR 78 13.817 -1.107 1.638 624 HD1 TYR 78 HD1 TYR 78 13.114 0.422 3.389 625 HD2 TYR 78 HD2 TYR 78 15.272 1.800 -0.006 626 HE1 TYR 78 HE1 TYR 78 12.490 2.735 3.937 627 HE2 TYR 78 HE2 TYR 78 14.648 4.112 0.529 628 HH TYR 78 HH TYR 78 13.109 5.357 1.753 629 H LYS 79 HN LYS 79 14.737 -2.899 2.883 630 HA LYS 79 HA LYS 79 15.953 -4.769 0.965 631 1HB LYS 79 HB2 LYS 79 16.770 -5.237 3.232 632 2HB LYS 79 HB3 LYS 79 15.115 -5.314 3.820 633 1HG LYS 79 HG2 LYS 79 14.681 -7.272 2.518 634 2HG LYS 79 HG3 LYS 79 16.275 -7.175 1.770 635 1HD LYS 79 HD2 LYS 79 16.205 -8.859 3.551 636 2HD LYS 79 HD3 LYS 79 17.325 -7.551 3.934 637 1HE LYS 79 HE2 LYS 79 15.712 -6.541 5.410 638 2HE LYS 79 HE3 LYS 79 14.494 -7.731 4.950 639 1HZ LYS 79 HZ1 LYS 79 17.064 -8.411 6.271 640 2HZ LYS 79 HZ2 LYS 79 15.754 -9.451 5.978 641 3HZ LYS 79 HZ3 LYS 79 15.603 -8.190 7.103 642 H LEU 80 HN LEU 80 14.513 -5.762 -0.314 643 HA LEU 80 HA LEU 80 11.724 -5.107 -0.025 644 1HB LEU 80 HB2 LEU 80 13.012 -5.221 -2.206 645 2HB LEU 80 HB3 LEU 80 12.971 -6.961 -2.044 646 HG LEU 80 HG LEU 80 11.245 -5.801 -3.558 647 1HD1 LEU 80 HD11 LEU 80 10.290 -7.792 -1.532 648 2HD1 LEU 80 HD12 LEU 80 9.564 -7.466 -3.108 649 3HD1 LEU 80 HD13 LEU 80 11.180 -8.168 -3.008 650 1HD2 LEU 80 HD21 LEU 80 9.178 -5.138 -2.479 651 2HD2 LEU 80 HD22 LEU 80 9.940 -5.351 -0.900 652 3HD2 LEU 80 HD23 LEU 80 10.523 -4.101 -1.999 653 H LYS 81 HN LYS 81 10.068 -6.467 0.440 654 HA LYS 81 HA LYS 81 10.759 -9.144 1.436 655 1HB LYS 81 HB2 LYS 81 10.734 -7.483 3.314 656 2HB LYS 81 HB3 LYS 81 9.047 -7.158 2.947 657 1HG LYS 81 HG2 LYS 81 8.490 -9.486 3.454 658 2HG LYS 81 HG3 LYS 81 10.185 -9.802 3.831 659 1HD LYS 81 HD2 LYS 81 8.958 -9.433 5.880 660 2HD LYS 81 HD3 LYS 81 10.072 -8.090 5.612 661 1HE LYS 81 HE2 LYS 81 8.204 -6.785 4.655 662 2HE LYS 81 HE3 LYS 81 7.112 -8.114 5.039 663 1HZ LYS 81 HZ1 LYS 81 7.617 -7.818 7.379 664 2HZ LYS 81 HZ2 LYS 81 7.042 -6.370 6.711 665 3HZ LYS 81 HZ3 LYS 81 8.695 -6.558 7.018 666 H LYS 82 HN LYS 82 9.427 -10.630 0.653 667 HA LYS 82 HA LYS 82 7.014 -9.693 -0.740 668 1HB LYS 82 HB2 LYS 82 8.521 -12.281 -1.121 669 2HB LYS 82 HB3 LYS 82 7.288 -11.600 -2.177 670 1HG LYS 82 HG2 LYS 82 8.701 -9.938 -2.970 671 2HG LYS 82 HG3 LYS 82 9.815 -10.109 -1.611 672 1HD LYS 82 HD2 LYS 82 10.352 -12.404 -2.449 673 2HD LYS 82 HD3 LYS 82 9.407 -12.028 -3.890 674 1HE LYS 82 HE2 LYS 82 10.882 -10.214 -4.449 675 2HE LYS 82 HE3 LYS 82 11.760 -10.407 -2.933 676 1HZ LYS 82 HZ1 LYS 82 12.461 -12.613 -3.683 677 2HZ LYS 82 HZ2 LYS 82 12.975 -11.397 -4.749 678 3HZ LYS 82 HZ3 LYS 82 11.654 -12.378 -5.155 679 H SER 83 HN SER 83 5.128 -10.161 0.152 680 HA SER 83 HA SER 83 4.802 -12.686 1.582 681 1HB SER 83 HB2 SER 83 3.544 -11.398 3.398 682 2HB SER 83 HB3 SER 83 5.300 -11.241 3.405 683 HG SER 83 HG SER 83 4.676 -9.309 1.929 684 H THR 84 HN THR 84 2.510 -13.161 2.016 685 HA THR 84 HA THR 84 0.629 -11.633 0.347 686 HB THR 84 HB THR 84 0.486 -14.627 0.752 687 HG1 THR 84 HG1 THR 84 1.787 -14.858 -0.913 688 1HG2 THR 84 HG21 THR 84 -1.636 -13.559 0.210 689 2HG2 THR 84 HG22 THR 84 -1.063 -14.508 -1.165 690 3HG2 THR 84 HG23 THR 84 -0.895 -12.752 -1.173 691 H ASN 85 HN ASN 85 -0.796 -10.695 1.651 692 HA ASN 85 HA ASN 85 -1.914 -12.087 3.931 693 1HB ASN 85 HB2 ASN 85 0.349 -10.832 4.560 694 2HB ASN 85 HB3 ASN 85 -0.718 -9.446 4.551 695 1HD2 ASN 85 HD21 ASN 85 0.692 -10.469 6.776 696 2HD2 ASN 85 HD22 ASN 85 -0.482 -10.941 7.957 697 H LYS 86 HN LYS 86 -3.735 -10.986 4.807 698 HA LYS 86 HA LYS 86 -5.141 -9.310 2.977 699 1HB LYS 86 HB2 LYS 86 -5.792 -9.800 5.884 700 2HB LYS 86 HB3 LYS 86 -6.904 -9.388 4.583 701 1HG LYS 86 HG2 LYS 86 -6.395 -11.564 3.520 702 2HG LYS 86 HG3 LYS 86 -5.409 -11.978 4.921 703 1HD LYS 86 HD2 LYS 86 -7.384 -11.720 6.351 704 2HD LYS 86 HD3 LYS 86 -8.344 -11.355 4.924 705 1HE LYS 86 HE2 LYS 86 -7.875 -13.542 3.999 706 2HE LYS 86 HE3 LYS 86 -6.819 -13.913 5.360 707 1HZ LYS 86 HZ1 LYS 86 -9.717 -13.328 5.628 708 2HZ LYS 86 HZ2 LYS 86 -8.670 -13.906 6.836 709 3HZ LYS 86 HZ3 LYS 86 -9.070 -14.894 5.516 710 H PHE 87 HN PHE 87 -6.120 -7.171 3.913 711 HA PHE 87 HA PHE 87 -4.437 -5.860 5.853 712 1HB PHE 87 HB2 PHE 87 -3.861 -3.950 4.358 713 2HB PHE 87 HB3 PHE 87 -3.062 -5.462 3.940 714 HD1 PHE 87 HD1 PHE 87 -3.464 -6.525 1.832 715 HD2 PHE 87 HD2 PHE 87 -5.678 -3.069 2.955 716 HE1 PHE 87 HE1 PHE 87 -4.294 -6.312 -0.475 717 HE2 PHE 87 HE2 PHE 87 -6.510 -2.854 0.652 718 HZ PHE 87 HZ PHE 87 -5.758 -4.459 -1.089 719 H CYS 88 HN CYS 88 -5.260 -3.926 6.641 720 HA CYS 88 HA CYS 88 -8.141 -3.636 6.167 721 1HB CYS 88 HB2 CYS 88 -7.360 -4.113 8.479 722 2HB CYS 88 HB3 CYS 88 -6.437 -2.614 8.454 723 H VAL 89 HN VAL 89 -8.832 -1.900 5.088 724 HA VAL 89 HA VAL 89 -7.055 0.446 4.951 725 HB VAL 89 HB VAL 89 -8.220 0.976 2.766 726 1HG1 VAL 89 HG11 VAL 89 -6.818 -0.528 1.453 727 2HG1 VAL 89 HG12 VAL 89 -5.945 0.075 2.862 728 3HG1 VAL 89 HG13 VAL 89 -6.594 -1.565 2.862 729 1HG2 VAL 89 HG21 VAL 89 -10.164 -0.486 3.044 730 2HG2 VAL 89 HG22 VAL 89 -9.289 -0.875 1.562 731 3HG2 VAL 89 HG23 VAL 89 -9.114 -1.902 2.986 732 H THR 90 HN THR 90 -7.914 2.425 5.389 733 HA THR 90 HA THR 90 -10.519 2.501 6.613 734 HB THR 90 HB THR 90 -8.702 4.832 5.950 735 HG1 THR 90 HG1 THR 90 -8.876 3.259 8.332 736 1HG2 THR 90 HG21 THR 90 -10.937 4.545 7.962 737 2HG2 THR 90 HG22 THR 90 -11.007 5.471 6.464 738 3HG2 THR 90 HG23 THR 90 -9.915 5.969 7.756 739 H CYS 91 HN CYS 91 -12.209 2.374 5.263 740 HA CYS 91 HA CYS 91 -12.059 3.589 2.625 741 1HB CYS 91 HB2 CYS 91 -14.243 1.956 3.931 742 2HB CYS 91 HB3 CYS 91 -14.201 2.451 2.241 743 H GLU 92 HN GLU 92 -12.855 5.505 2.138 744 HA GLU 92 HA GLU 92 -15.202 6.506 3.547 745 1HB GLU 92 HB2 GLU 92 -13.048 7.409 4.616 746 2HB GLU 92 HB3 GLU 92 -12.833 8.302 3.123 747 1HG GLU 92 HG2 GLU 92 -15.011 9.387 3.483 748 2HG GLU 92 HG3 GLU 92 -15.155 8.534 5.017 749 H ASN 93 HN ASN 93 -16.592 7.429 2.170 750 HA ASN 93 HA ASN 93 -17.572 8.025 0.214 751 1HB ASN 93 HB2 ASN 93 -14.839 9.235 -0.247 752 2HB ASN 93 HB3 ASN 93 -16.190 9.461 -1.354 753 1HD2 ASN 93 HD21 ASN 93 -14.860 10.268 1.742 754 2HD2 ASN 93 HD22 ASN 93 -16.020 11.489 2.150 755 H GLN 94 HN GLN 94 -16.395 5.463 0.481 756 HA GLN 94 HA GLN 94 -16.280 3.555 -0.696 757 1HB GLN 94 HB2 GLN 94 -16.910 5.199 -3.146 758 2HB GLN 94 HB3 GLN 94 -17.053 3.455 -2.984 759 1HG GLN 94 HG2 GLN 94 -18.705 3.979 -1.085 760 2HG GLN 94 HG3 GLN 94 -18.750 5.599 -1.779 761 1HE2 GLN 94 HE21 GLN 94 -18.268 4.392 -4.461 762 2HE2 GLN 94 HE22 GLN 94 -19.807 3.779 -4.963 763 H ALA 95 HN ALA 95 -13.950 5.417 -0.419 764 HA ALA 95 HA ALA 95 -12.244 3.860 -2.203 765 1HB ALA 95 HB1 ALA 95 -12.093 6.867 -2.011 766 2HB ALA 95 HB2 ALA 95 -10.940 5.833 -2.857 767 3HB ALA 95 HB3 ALA 95 -12.610 5.931 -3.413 768 HA PRO 96 HA PRO 96 -9.735 3.525 1.451 769 1HB PRO 96 HB2 PRO 96 -7.508 3.043 -0.410 770 2HB PRO 96 HB3 PRO 96 -8.186 1.977 0.827 771 1HG PRO 96 HG2 PRO 96 -8.565 1.502 -1.780 772 2HG PRO 96 HG3 PRO 96 -9.835 1.175 -0.591 773 1HD PRO 96 HD2 PRO 96 -9.536 3.509 -2.444 774 2HD PRO 96 HD3 PRO 96 -10.988 2.572 -2.050 775 H VAL 97 HN VAL 97 -9.273 5.416 2.439 776 HA VAL 97 HA VAL 97 -7.550 7.325 1.006 777 HB VAL 97 HB VAL 97 -8.461 9.070 2.487 778 1HG1 VAL 97 HG11 VAL 97 -10.548 7.463 1.015 779 2HG1 VAL 97 HG12 VAL 97 -10.732 9.138 1.535 780 3HG1 VAL 97 HG13 VAL 97 -9.512 8.718 0.332 781 1HG2 VAL 97 HG21 VAL 97 -10.376 8.597 3.916 782 2HG2 VAL 97 HG22 VAL 97 -10.279 6.887 3.490 783 3HG2 VAL 97 HG23 VAL 97 -8.973 7.643 4.407 784 H HIS 98 HN HIS 98 -7.706 5.251 3.705 785 HA HIS 98 HA HIS 98 -5.090 6.230 4.581 786 1HB HIS 98 HB2 HIS 98 -7.441 5.702 6.409 787 2HB HIS 98 HB3 HIS 98 -5.785 5.781 6.976 788 HD1 HIS 98 HD1 HIS 98 -4.612 8.164 6.855 789 HD2 HIS 98 HD2 HIS 98 -8.700 8.114 6.096 790 HE1 HIS 98 HE1 HIS 98 -5.372 10.548 7.074 791 HE2 HIS 98 HE2 HIS 98 -7.884 10.429 6.913 792 H PHE 99 HN PHE 99 -3.778 4.604 5.530 793 HA PHE 99 HA PHE 99 -4.747 1.877 5.004 794 1HB PHE 99 HB2 PHE 99 -2.770 2.665 3.667 795 2HB PHE 99 HB3 PHE 99 -1.870 2.800 5.174 796 HD1 PHE 99 HD1 PHE 99 -0.685 0.976 5.980 797 HD2 PHE 99 HD2 PHE 99 -3.790 0.360 3.133 798 HE1 PHE 99 HE1 PHE 99 -0.050 -1.394 5.805 799 HE2 PHE 99 HE2 PHE 99 -3.162 -2.014 2.957 800 HZ PHE 99 HZ PHE 99 -1.288 -2.892 4.291 801 H VAL 100 HN VAL 100 -5.150 0.681 6.713 802 HA VAL 100 HA VAL 100 -4.478 1.625 9.355 803 HB VAL 100 HB VAL 100 -5.996 -0.824 8.440 804 1HG1 VAL 100 HG11 VAL 100 -5.090 -1.190 10.653 805 2HG1 VAL 100 HG12 VAL 100 -5.740 0.357 11.203 806 3HG1 VAL 100 HG13 VAL 100 -6.834 -0.949 10.742 807 1HG2 VAL 100 HG21 VAL 100 -7.093 1.253 7.808 808 2HG2 VAL 100 HG22 VAL 100 -7.990 0.448 9.095 809 3HG2 VAL 100 HG23 VAL 100 -6.974 1.839 9.467 810 H GLY 101 HN GLY 101 -4.093 -1.526 7.733 811 1HA GLY 101 HA1 GLY 101 -1.374 -1.891 8.171 812 2HA GLY 101 HA2 GLY 101 -2.198 -2.530 9.590 813 H VAL 102 HN VAL 102 -0.945 -4.461 8.449 814 HA VAL 102 HA VAL 102 -2.801 -5.650 6.509 815 HB VAL 102 HB VAL 102 -1.129 -6.860 5.524 816 1HG1 VAL 102 HG11 VAL 102 -0.724 -4.539 5.062 817 2HG1 VAL 102 HG12 VAL 102 0.286 -4.394 6.501 818 3HG1 VAL 102 HG13 VAL 102 0.811 -5.403 5.154 819 1HG2 VAL 102 HG21 VAL 102 0.982 -7.496 6.477 820 2HG2 VAL 102 HG22 VAL 102 0.666 -6.518 7.914 821 3HG2 VAL 102 HG23 VAL 102 -0.321 -7.940 7.577 822 H GLY 103 HN GLY 103 -3.261 -7.907 6.689 823 1HA GLY 103 HA1 GLY 103 -3.488 -9.905 7.913 824 2HA GLY 103 HA2 GLY 103 -2.865 -9.089 9.339 825 H SER 104 HN SER 104 -4.377 -7.121 9.942 826 HA SER 104 HA SER 104 -7.191 -7.602 9.546 827 1HB SER 104 HB2 SER 104 -5.907 -8.011 12.256 828 2HB SER 104 HB3 SER 104 -7.640 -7.867 11.979 829 HG SER 104 HG SER 104 -6.503 -9.705 10.339 830 H CYS 105 HN CYS 105 -8.429 -6.079 11.142 831 HA CYS 105 HA CYS 105 -7.240 -3.439 10.874 832 1HB CYS 105 HB2 CYS 105 -9.968 -4.347 11.818 833 2HB CYS 105 HB3 CYS 105 -9.485 -2.661 11.674 Start of MODEL 11 1 1H MET 1 H1 MET 1 -5.550 15.807 3.088 2 2H MET 1 H2 MET 1 -4.569 16.968 3.838 3 3H MET 1 H3 MET 1 -4.248 15.317 4.062 4 HA MET 1 HA MET 1 -3.993 16.849 1.539 5 1HB MET 1 HB2 MET 1 -1.973 15.547 3.373 6 2HB MET 1 HB3 MET 1 -1.592 16.087 1.745 7 1HG MET 1 HG2 MET 1 -2.203 18.381 2.388 8 2HG MET 1 HG3 MET 1 -2.505 17.816 4.032 9 1HE MET 1 HE1 MET 1 0.845 19.852 4.363 10 2HE MET 1 HE2 MET 1 -0.530 20.214 3.319 11 3HE MET 1 HE3 MET 1 -0.801 19.662 4.971 12 H GLN 2 HN GLN 2 -3.686 13.686 3.133 13 HA GLN 2 HA GLN 2 -3.172 12.422 0.577 14 1HB GLN 2 HB2 GLN 2 -3.402 11.173 3.319 15 2HB GLN 2 HB3 GLN 2 -2.798 10.389 1.863 16 1HG GLN 2 HG2 GLN 2 -1.028 12.200 1.797 17 2HG GLN 2 HG3 GLN 2 -1.541 12.619 3.429 18 1HE2 GLN 2 HE21 GLN 2 -1.158 11.167 5.112 19 2HE2 GLN 2 HE22 GLN 2 -0.023 9.873 4.958 20 H ASP 3 HN ASP 3 -4.503 11.176 -0.519 21 HA ASP 3 HA ASP 3 -7.182 10.592 0.493 22 1HB ASP 3 HB2 ASP 3 -8.232 11.539 -1.427 23 2HB ASP 3 HB3 ASP 3 -7.096 12.761 -0.863 24 H TRP 4 HN TRP 4 -8.200 9.507 -1.847 25 HA TRP 4 HA TRP 4 -7.132 6.951 -1.978 26 1HB TRP 4 HB2 TRP 4 -9.345 7.262 -2.744 27 2HB TRP 4 HB3 TRP 4 -8.866 8.524 -3.872 28 HD1 TRP 4 HD1 TRP 4 -9.029 7.716 -6.286 29 HE1 TRP 4 HE1 TRP 4 -8.662 5.489 -7.530 30 HE3 TRP 4 HE3 TRP 4 -7.692 4.771 -2.318 31 HZ2 TRP 4 HZ2 TRP 4 -7.905 2.844 -6.907 32 HZ3 TRP 4 HZ3 TRP 4 -7.169 2.402 -2.727 33 HH2 TRP 4 HH2 TRP 4 -7.264 1.463 -4.979 34 H LEU 5 HN LEU 5 -6.546 9.716 -4.147 35 HA LEU 5 HA LEU 5 -4.940 8.178 -5.923 36 1HB LEU 5 HB2 LEU 5 -5.398 11.120 -5.660 37 2HB LEU 5 HB3 LEU 5 -4.306 10.430 -6.855 38 HG LEU 5 HG LEU 5 -6.471 8.920 -7.314 39 1HD1 LEU 5 HD11 LEU 5 -7.551 11.570 -6.400 40 2HD1 LEU 5 HD12 LEU 5 -8.460 10.353 -7.298 41 3HD1 LEU 5 HD13 LEU 5 -7.858 9.989 -5.681 42 1HD2 LEU 5 HD21 LEU 5 -5.179 10.134 -8.947 43 2HD2 LEU 5 HD22 LEU 5 -6.910 10.354 -9.212 44 3HD2 LEU 5 HD23 LEU 5 -5.961 11.642 -8.469 45 H THR 6 HN THR 6 -4.273 10.058 -3.072 46 HA THR 6 HA THR 6 -1.416 9.989 -3.433 47 HB THR 6 HB THR 6 -2.963 10.452 -0.878 48 HG1 THR 6 HG1 THR 6 -3.610 11.991 -2.426 49 1HG2 THR 6 HG21 THR 6 -0.949 11.665 -0.179 50 2HG2 THR 6 HG22 THR 6 -0.165 11.240 -1.701 51 3HG2 THR 6 HG23 THR 6 -0.590 9.976 -0.544 52 H PHE 7 HN PHE 7 -3.860 8.115 -1.747 53 HA PHE 7 HA PHE 7 -2.251 6.332 -0.324 54 1HB PHE 7 HB2 PHE 7 -4.708 6.540 -0.064 55 2HB PHE 7 HB3 PHE 7 -4.928 5.825 -1.654 56 HD1 PHE 7 HD1 PHE 7 -4.311 5.195 1.858 57 HD2 PHE 7 HD2 PHE 7 -4.369 3.445 -2.021 58 HE1 PHE 7 HE1 PHE 7 -4.358 2.956 2.877 59 HE2 PHE 7 HE2 PHE 7 -4.428 1.203 -1.009 60 HZ PHE 7 HZ PHE 7 -4.485 0.968 1.465 61 H GLN 8 HN GLN 8 -3.524 6.195 -3.612 62 HA GLN 8 HA GLN 8 -2.655 3.734 -4.457 63 1HB GLN 8 HB2 GLN 8 -3.008 6.368 -5.814 64 2HB GLN 8 HB3 GLN 8 -2.335 5.011 -6.688 65 1HG GLN 8 HG2 GLN 8 -4.348 3.703 -6.191 66 2HG GLN 8 HG3 GLN 8 -5.015 5.094 -5.337 67 1HE2 GLN 8 HE21 GLN 8 -5.758 6.850 -6.507 68 2HE2 GLN 8 HE22 GLN 8 -6.022 6.782 -8.217 69 H LYS 9 HN LYS 9 -0.916 6.800 -4.887 70 HA LYS 9 HA LYS 9 1.349 5.809 -6.114 71 1HB LYS 9 HB2 LYS 9 1.087 8.157 -4.234 72 2HB LYS 9 HB3 LYS 9 2.448 7.880 -5.314 73 1HG LYS 9 HG2 LYS 9 1.144 8.248 -7.225 74 2HG LYS 9 HG3 LYS 9 -0.367 8.115 -6.323 75 1HD LYS 9 HD2 LYS 9 0.201 10.175 -5.112 76 2HD LYS 9 HD3 LYS 9 1.688 10.309 -6.056 77 1HE LYS 9 HE2 LYS 9 0.360 10.466 -8.110 78 2HE LYS 9 HE3 LYS 9 -1.120 10.343 -7.161 79 1HZ LYS 9 HZ1 LYS 9 -0.567 12.638 -7.756 80 2HZ LYS 9 HZ2 LYS 9 0.894 12.511 -6.899 81 3HZ LYS 9 HZ3 LYS 9 -0.584 12.410 -6.073 82 H LYS 10 HN LYS 10 0.473 5.780 -2.755 83 HA LYS 10 HA LYS 10 3.205 5.175 -1.943 84 1HB LYS 10 HB2 LYS 10 0.719 5.798 -0.381 85 2HB LYS 10 HB3 LYS 10 2.170 5.176 0.395 86 1HG LYS 10 HG2 LYS 10 3.368 7.144 -0.751 87 2HG LYS 10 HG3 LYS 10 1.744 7.802 -0.972 88 1HD LYS 10 HD2 LYS 10 1.357 7.696 1.429 89 2HD LYS 10 HD3 LYS 10 2.944 6.967 1.671 90 1HE LYS 10 HE2 LYS 10 3.161 9.267 2.210 91 2HE LYS 10 HE3 LYS 10 3.933 9.037 0.642 92 1HZ LYS 10 HZ1 LYS 10 1.864 9.841 -0.394 93 2HZ LYS 10 HZ2 LYS 10 2.602 11.009 0.581 94 3HZ LYS 10 HZ3 LYS 10 1.237 10.171 1.144 95 H HIS 11 HN HIS 11 0.251 3.429 -2.519 96 HA HIS 11 HA HIS 11 1.504 1.121 -1.188 97 1HB HIS 11 HB2 HIS 11 -1.369 1.981 -0.859 98 2HB HIS 11 HB3 HIS 11 -0.732 0.428 -0.328 99 HD1 HIS 11 HD1 HIS 11 1.333 0.661 1.478 100 HD2 HIS 11 HD2 HIS 11 -1.177 3.940 0.985 101 HE1 HIS 11 HE1 HIS 11 1.685 2.096 3.511 102 HE2 HIS 11 HE2 HIS 11 0.348 4.188 3.058 103 H ILE 12 HN ILE 12 0.217 2.222 -4.050 104 HA ILE 12 HA ILE 12 -0.673 -0.488 -4.766 105 HB ILE 12 HB ILE 12 -1.333 2.156 -6.033 106 1HG1 ILE 12 HG12 ILE 12 -2.799 0.128 -4.361 107 2HG1 ILE 12 HG13 ILE 12 -2.594 1.853 -4.065 108 1HG2 ILE 12 HG21 ILE 12 -2.804 0.863 -7.553 109 2HG2 ILE 12 HG22 ILE 12 -1.094 0.501 -7.799 110 3HG2 ILE 12 HG23 ILE 12 -2.114 -0.630 -6.910 111 1HD1 ILE 12 HD11 ILE 12 -4.067 2.348 -5.916 112 2HD1 ILE 12 HD12 ILE 12 -4.246 0.621 -6.231 113 3HD1 ILE 12 HD13 ILE 12 -4.854 1.308 -4.726 114 H THR 13 HN THR 13 0.631 -1.671 -5.934 115 HA THR 13 HA THR 13 2.486 -0.358 -7.786 116 HB THR 13 HB THR 13 3.752 -0.882 -5.733 117 HG1 THR 13 HG1 THR 13 5.353 -1.289 -7.036 118 1HG2 THR 13 HG21 THR 13 2.468 -2.817 -4.962 119 2HG2 THR 13 HG22 THR 13 4.184 -3.209 -5.108 120 3HG2 THR 13 HG23 THR 13 3.046 -3.753 -6.341 121 H ASN 14 HN ASN 14 3.379 -1.864 -9.387 122 HA ASN 14 HA ASN 14 1.395 -3.928 -10.085 123 1HB ASN 14 HB2 ASN 14 1.972 -3.383 -12.473 124 2HB ASN 14 HB3 ASN 14 1.156 -2.086 -11.604 125 1HD2 ASN 14 HD21 ASN 14 4.137 -3.140 -13.044 126 2HD2 ASN 14 HD22 ASN 14 4.933 -1.600 -13.001 127 H THR 15 HN THR 15 4.159 -3.908 -8.725 128 HA THR 15 HA THR 15 5.111 -6.262 -10.168 129 HB THR 15 HB THR 15 6.569 -4.526 -11.005 130 HG1 THR 15 HG1 THR 15 8.513 -5.346 -9.402 131 1HG2 THR 15 HG21 THR 15 7.951 -3.144 -9.526 132 2HG2 THR 15 HG22 THR 15 7.136 -3.837 -8.123 133 3HG2 THR 15 HG23 THR 15 6.232 -2.848 -9.271 134 H ARG 16 HN ARG 16 5.993 -7.846 -8.838 135 HA ARG 16 HA ARG 16 5.181 -7.781 -6.120 136 1HB ARG 16 HB2 ARG 16 6.876 -9.708 -7.691 137 2HB ARG 16 HB3 ARG 16 6.563 -9.927 -5.973 138 1HG ARG 16 HG2 ARG 16 4.445 -9.723 -8.102 139 2HG ARG 16 HG3 ARG 16 5.035 -11.227 -7.390 140 1HD ARG 16 HD2 ARG 16 3.912 -9.009 -5.709 141 2HD ARG 16 HD3 ARG 16 2.877 -10.229 -6.444 142 HE ARG 16 HE ARG 16 4.327 -11.881 -5.184 143 1HH1 ARG 16 HH12 ARG 16 3.894 -8.595 -4.024 144 2HH1 ARG 16 HH11 ARG 16 3.973 -9.041 -2.349 145 1HH2 ARG 16 HH22 ARG 16 4.379 -12.475 -3.003 146 2HH2 ARG 16 HH21 ARG 16 4.202 -11.268 -1.767 147 H ASP 17 HN ASP 17 8.405 -7.625 -7.640 148 HA ASP 17 HA ASP 17 9.410 -6.545 -5.134 149 1HB ASP 17 HB2 ASP 17 11.618 -6.573 -6.395 150 2HB ASP 17 HB3 ASP 17 10.925 -8.132 -5.993 151 H VAL 18 HN VAL 18 8.345 -4.597 -5.134 152 HA VAL 18 HA VAL 18 8.380 -2.775 -7.292 153 HB VAL 18 HB VAL 18 6.678 -2.368 -5.741 154 1HG1 VAL 18 HG11 VAL 18 8.759 -2.465 -3.564 155 2HG1 VAL 18 HG12 VAL 18 7.094 -1.936 -3.314 156 3HG1 VAL 18 HG13 VAL 18 7.423 -3.590 -3.831 157 1HG2 VAL 18 HG21 VAL 18 7.178 -0.122 -4.762 158 2HG2 VAL 18 HG22 VAL 18 8.855 -0.342 -5.273 159 3HG2 VAL 18 HG23 VAL 18 7.565 -0.283 -6.476 160 H ASP 19 HN ASP 19 9.821 -1.236 -7.895 161 HA ASP 19 HA ASP 19 12.480 -1.513 -6.841 162 1HB ASP 19 HB2 ASP 19 11.970 -1.198 -9.285 163 2HB ASP 19 HB3 ASP 19 11.540 0.468 -8.917 164 H CYS 20 HN CYS 20 11.513 -0.812 -4.736 165 HA CYS 20 HA CYS 20 10.930 1.784 -4.047 166 1HB CYS 20 HB2 CYS 20 12.226 -0.486 -2.602 167 2HB CYS 20 HB3 CYS 20 12.022 1.076 -1.806 168 H ASP 21 HN ASP 21 14.026 0.438 -4.870 169 HA ASP 21 HA ASP 21 15.802 2.194 -3.715 170 1HB ASP 21 HB2 ASP 21 15.972 0.204 -5.604 171 2HB ASP 21 HB3 ASP 21 16.432 1.634 -6.524 172 H ASN 22 HN ASN 22 13.928 2.659 -6.695 173 HA ASN 22 HA ASN 22 14.843 5.438 -6.825 174 1HB ASN 22 HB2 ASN 22 14.770 4.125 -8.912 175 2HB ASN 22 HB3 ASN 22 13.047 3.885 -8.695 176 1HD2 ASN 22 HD21 ASN 22 12.596 4.871 -10.663 177 2HD2 ASN 22 HD22 ASN 22 12.700 6.588 -10.869 178 H ILE 23 HN ILE 23 11.852 3.584 -6.659 179 HA ILE 23 HA ILE 23 10.056 5.693 -6.721 180 HB ILE 23 HB ILE 23 9.751 3.008 -5.379 181 1HG1 ILE 23 HG12 ILE 23 8.858 4.052 -8.078 182 2HG1 ILE 23 HG13 ILE 23 10.218 2.970 -7.801 183 1HG2 ILE 23 HG21 ILE 23 7.630 5.033 -6.088 184 2HG2 ILE 23 HG22 ILE 23 7.334 3.400 -5.492 185 3HG2 ILE 23 HG23 ILE 23 8.133 4.586 -4.458 186 1HD1 ILE 23 HD11 ILE 23 8.275 1.772 -8.617 187 2HD1 ILE 23 HD12 ILE 23 8.696 1.258 -6.984 188 3HD1 ILE 23 HD13 ILE 23 7.331 2.345 -7.241 189 H LEU 24 HN LEU 24 11.625 4.267 -3.838 190 HA LEU 24 HA LEU 24 10.071 5.923 -2.070 191 1HB LEU 24 HB2 LEU 24 12.535 4.283 -1.501 192 2HB LEU 24 HB3 LEU 24 11.567 5.087 -0.287 193 HG LEU 24 HG LEU 24 10.782 2.729 -1.989 194 1HD1 LEU 24 HD11 LEU 24 10.998 3.099 0.992 195 2HD1 LEU 24 HD12 LEU 24 10.523 1.620 0.159 196 3HD1 LEU 24 HD13 LEU 24 12.162 2.251 -0.027 197 1HD2 LEU 24 HD21 LEU 24 8.634 2.777 -0.808 198 2HD2 LEU 24 HD22 LEU 24 9.072 4.335 -0.105 199 3HD2 LEU 24 HD23 LEU 24 8.858 4.187 -1.848 200 H SER 25 HN SER 25 12.724 6.524 -4.027 201 HA SER 25 HA SER 25 14.002 8.394 -2.209 202 1HB SER 25 HB2 SER 25 14.622 7.737 -5.096 203 2HB SER 25 HB3 SER 25 15.623 8.717 -4.020 204 HG SER 25 HG SER 25 15.652 6.089 -4.304 205 H THR 26 HN THR 26 11.280 8.536 -3.926 206 HA THR 26 HA THR 26 11.518 11.138 -5.120 207 HB THR 26 HB THR 26 9.035 10.991 -5.327 208 HG1 THR 26 HG1 THR 26 9.096 8.328 -4.446 209 1HG2 THR 26 HG21 THR 26 10.488 10.042 -7.069 210 2HG2 THR 26 HG22 THR 26 8.998 9.116 -6.891 211 3HG2 THR 26 HG23 THR 26 10.503 8.501 -6.207 212 H ASN 27 HN ASN 27 9.647 12.762 -4.349 213 HA ASN 27 HA ASN 27 10.243 13.362 -1.569 214 1HB ASN 27 HB2 ASN 27 10.150 15.107 -3.424 215 2HB ASN 27 HB3 ASN 27 8.403 14.893 -3.422 216 1HD2 ASN 27 HD21 ASN 27 11.161 15.940 -1.553 217 2HD2 ASN 27 HD22 ASN 27 10.276 16.930 -0.435 218 H LEU 28 HN LEU 28 8.104 11.491 -3.192 219 HA LEU 28 HA LEU 28 5.702 11.876 -1.718 220 1HB LEU 28 HB2 LEU 28 5.847 10.776 -3.935 221 2HB LEU 28 HB3 LEU 28 6.711 9.444 -3.197 222 HG LEU 28 HG LEU 28 4.655 9.037 -1.779 223 1HD1 LEU 28 HD11 LEU 28 3.409 10.910 -3.787 224 2HD1 LEU 28 HD12 LEU 28 2.545 9.938 -2.597 225 3HD1 LEU 28 HD13 LEU 28 3.615 11.236 -2.064 226 1HD2 LEU 28 HD21 LEU 28 4.435 8.798 -4.773 227 2HD2 LEU 28 HD22 LEU 28 5.216 7.651 -3.684 228 3HD2 LEU 28 HD23 LEU 28 3.471 7.898 -3.601 229 H PHE 29 HN PHE 29 8.552 9.842 -1.347 230 HA PHE 29 HA PHE 29 7.538 8.928 1.271 231 1HB PHE 29 HB2 PHE 29 9.595 7.566 -0.480 232 2HB PHE 29 HB3 PHE 29 8.964 6.964 1.046 233 HD1 PHE 29 HD1 PHE 29 8.465 7.193 -2.516 234 HD2 PHE 29 HD2 PHE 29 6.588 6.236 1.181 235 HE1 PHE 29 HE1 PHE 29 6.676 6.017 -3.729 236 HE2 PHE 29 HE2 PHE 29 4.804 5.055 -0.025 237 HZ PHE 29 HZ PHE 29 4.927 4.847 -2.500 238 H HIS 30 HN HIS 30 10.478 9.690 -0.536 239 HA HIS 30 HA HIS 30 12.496 10.519 0.002 240 1HB HIS 30 HB2 HIS 30 10.892 12.304 1.054 241 2HB HIS 30 HB3 HIS 30 11.467 11.640 2.582 242 HD1 HIS 30 HD1 HIS 30 13.694 12.476 3.409 243 HD2 HIS 30 HD2 HIS 30 13.024 13.355 -0.604 244 HE1 HIS 30 HE1 HIS 30 15.615 13.947 2.697 245 HE2 HIS 30 HE2 HIS 30 15.121 14.555 0.299 246 H CYS 31 HN CYS 31 12.446 8.027 0.410 247 HA CYS 31 HA CYS 31 12.957 6.184 1.612 248 1HB CYS 31 HB2 CYS 31 15.209 6.439 2.829 249 2HB CYS 31 HB3 CYS 31 15.147 6.630 1.085 250 H LYS 32 HN LYS 32 11.019 6.470 2.912 251 HA LYS 32 HA LYS 32 11.322 7.257 5.643 252 1HB LYS 32 HB2 LYS 32 9.077 6.376 5.947 253 2HB LYS 32 HB3 LYS 32 9.143 7.350 4.488 254 1HG LYS 32 HG2 LYS 32 9.401 5.190 3.199 255 2HG LYS 32 HG3 LYS 32 9.024 4.353 4.705 256 1HD LYS 32 HD2 LYS 32 7.256 6.419 3.397 257 2HD LYS 32 HD3 LYS 32 7.047 4.674 3.242 258 1HE LYS 32 HE2 LYS 32 6.742 4.494 5.658 259 2HE LYS 32 HE3 LYS 32 6.972 6.236 5.820 260 1HZ LYS 32 HZ1 LYS 32 4.790 4.965 4.258 261 2HZ LYS 32 HZ2 LYS 32 4.991 6.623 4.553 262 3HZ LYS 32 HZ3 LYS 32 4.626 5.573 5.833 263 H ASP 33 HN ASP 33 10.820 5.644 7.411 264 HA ASP 33 HA ASP 33 12.863 3.798 7.634 265 1HB ASP 33 HB2 ASP 33 11.755 4.676 9.581 266 2HB ASP 33 HB3 ASP 33 10.228 3.944 9.103 267 H LYS 34 HN LYS 34 9.434 3.137 6.901 268 HA LYS 34 HA LYS 34 10.178 1.055 5.110 269 1HB LYS 34 HB2 LYS 34 8.953 -0.776 6.256 270 2HB LYS 34 HB3 LYS 34 10.399 -0.267 7.109 271 1HG LYS 34 HG2 LYS 34 8.931 -0.481 8.843 272 2HG LYS 34 HG3 LYS 34 8.712 1.223 8.449 273 1HD LYS 34 HD2 LYS 34 6.717 0.721 7.186 274 2HD LYS 34 HD3 LYS 34 6.970 -1.011 7.412 275 1HE LYS 34 HE2 LYS 34 6.735 -0.684 9.852 276 2HE LYS 34 HE3 LYS 34 6.389 1.020 9.565 277 1HZ LYS 34 HZ1 LYS 34 4.779 -1.239 8.497 278 2HZ LYS 34 HZ2 LYS 34 4.424 0.410 8.345 279 3HZ LYS 34 HZ3 LYS 34 4.374 -0.325 9.867 280 H ASN 35 HN ASN 35 8.398 0.234 3.888 281 HA ASN 35 HA ASN 35 5.799 1.474 4.289 282 1HB ASN 35 HB2 ASN 35 7.148 3.151 2.996 283 2HB ASN 35 HB3 ASN 35 7.309 1.955 1.714 284 1HD2 ASN 35 HD21 ASN 35 5.567 1.498 0.412 285 2HD2 ASN 35 HD22 ASN 35 4.128 2.459 0.397 286 H THR 36 HN THR 36 4.271 0.020 3.783 287 HA THR 36 HA THR 36 5.049 -2.386 2.324 288 HB THR 36 HB THR 36 2.383 -1.849 3.633 289 HG1 THR 36 HG1 THR 36 4.677 -3.072 4.837 290 1HG2 THR 36 HG21 THR 36 2.505 -3.795 2.142 291 2HG2 THR 36 HG22 THR 36 2.309 -4.292 3.823 292 3HG2 THR 36 HG23 THR 36 3.890 -4.404 3.048 293 H PHE 37 HN PHE 37 4.609 -2.630 0.229 294 HA PHE 37 HA PHE 37 2.521 -0.967 -0.998 295 1HB PHE 37 HB2 PHE 37 4.749 -2.586 -2.244 296 2HB PHE 37 HB3 PHE 37 3.519 -1.727 -3.163 297 HD1 PHE 37 HD1 PHE 37 6.401 -1.338 -0.915 298 HD2 PHE 37 HD2 PHE 37 3.649 0.622 -3.507 299 HE1 PHE 37 HE1 PHE 37 7.810 0.675 -0.892 300 HE2 PHE 37 HE2 PHE 37 5.056 2.635 -3.484 301 HZ PHE 37 HZ PHE 37 7.141 2.656 -2.179 302 H ILE 38 HN ILE 38 1.141 -1.951 -2.592 303 HA ILE 38 HA ILE 38 0.448 -4.742 -1.957 304 HB ILE 38 HB ILE 38 -1.381 -2.481 -2.800 305 1HG1 ILE 38 HG12 ILE 38 -1.306 -3.890 -0.131 306 2HG1 ILE 38 HG13 ILE 38 -0.441 -2.389 -0.443 307 1HG2 ILE 38 HG21 ILE 38 -3.214 -4.031 -2.375 308 2HG2 ILE 38 HG22 ILE 38 -2.135 -4.652 -3.624 309 3HG2 ILE 38 HG23 ILE 38 -2.057 -5.307 -1.988 310 1HD1 ILE 38 HD11 ILE 38 -3.417 -2.774 -0.663 311 2HD1 ILE 38 HD12 ILE 38 -2.568 -2.007 0.679 312 3HD1 ILE 38 HD13 ILE 38 -2.539 -1.267 -0.922 313 H TYR 39 HN TYR 39 0.969 -6.017 -3.629 314 HA TYR 39 HA TYR 39 1.110 -5.015 -6.322 315 1HB TYR 39 HB2 TYR 39 2.670 -6.750 -5.742 316 2HB TYR 39 HB3 TYR 39 1.375 -7.806 -5.188 317 HD1 TYR 39 HD1 TYR 39 2.528 -6.033 -8.263 318 HD2 TYR 39 HD2 TYR 39 0.569 -9.439 -6.637 319 HE1 TYR 39 HE1 TYR 39 2.429 -7.033 -10.503 320 HE2 TYR 39 HE2 TYR 39 0.465 -10.450 -8.877 321 HH TYR 39 HH TYR 39 2.278 -9.307 -11.477 322 H SER 40 HN SER 40 -0.945 -4.206 -6.493 323 HA SER 40 HA SER 40 -2.795 -5.928 -7.784 324 1HB SER 40 HB2 SER 40 -3.568 -4.752 -5.093 325 2HB SER 40 HB3 SER 40 -4.740 -5.344 -6.266 326 HG SER 40 HG SER 40 -2.694 -7.096 -5.668 327 H ARG 41 HN ARG 41 -4.098 -4.698 -9.137 328 HA ARG 41 HA ARG 41 -3.272 -2.036 -9.597 329 1HB ARG 41 HB2 ARG 41 -5.563 -3.672 -10.644 330 2HB ARG 41 HB3 ARG 41 -5.377 -1.985 -11.080 331 1HG ARG 41 HG2 ARG 41 -3.338 -4.146 -11.572 332 2HG ARG 41 HG3 ARG 41 -4.448 -3.477 -12.773 333 1HD ARG 41 HD2 ARG 41 -3.463 -1.227 -12.297 334 2HD ARG 41 HD3 ARG 41 -2.252 -2.032 -11.302 335 HE ARG 41 HE ARG 41 -2.032 -3.323 -13.665 336 1HH1 ARG 41 HH12 ARG 41 -2.136 0.082 -12.844 337 2HH1 ARG 41 HH11 ARG 41 -1.057 0.555 -14.117 338 1HH2 ARG 41 HH22 ARG 41 -0.635 -2.700 -15.366 339 2HH2 ARG 41 HH21 ARG 41 -0.219 -1.023 -15.574 340 HA PRO 42 HA PRO 42 -5.760 0.504 -7.010 341 1HB PRO 42 HB2 PRO 42 -6.789 2.280 -8.869 342 2HB PRO 42 HB3 PRO 42 -5.198 2.407 -8.118 343 1HG PRO 42 HG2 PRO 42 -5.953 1.317 -10.785 344 2HG PRO 42 HG3 PRO 42 -4.547 2.286 -10.333 345 1HD PRO 42 HD2 PRO 42 -4.375 -0.361 -10.738 346 2HD PRO 42 HD3 PRO 42 -3.413 0.458 -9.485 347 H GLU 43 HN GLU 43 -7.174 -0.905 -9.857 348 HA GLU 43 HA GLU 43 -9.853 -0.173 -9.386 349 1HB GLU 43 HB2 GLU 43 -8.649 -2.429 -10.988 350 2HB GLU 43 HB3 GLU 43 -10.332 -1.949 -11.059 351 1HG GLU 43 HG2 GLU 43 -9.852 0.048 -12.133 352 2HG GLU 43 HG3 GLU 43 -8.175 0.046 -11.590 353 HA PRO 44 HA PRO 44 -10.446 -4.622 -7.510 354 1HB PRO 44 HB2 PRO 44 -8.161 -5.942 -6.786 355 2HB PRO 44 HB3 PRO 44 -8.985 -6.170 -8.329 356 1HG PRO 44 HG2 PRO 44 -6.599 -4.484 -7.679 357 2HG PRO 44 HG3 PRO 44 -6.883 -5.532 -9.083 358 1HD PRO 44 HD2 PRO 44 -7.189 -2.866 -9.225 359 2HD PRO 44 HD3 PRO 44 -8.230 -3.969 -10.124 360 H VAL 45 HN VAL 45 -7.959 -2.431 -6.414 361 HA VAL 45 HA VAL 45 -8.292 -3.230 -3.635 362 HB VAL 45 HB VAL 45 -6.633 -1.003 -4.842 363 1HG1 VAL 45 HG11 VAL 45 -6.723 -2.013 -2.002 364 2HG1 VAL 45 HG12 VAL 45 -5.557 -0.854 -2.642 365 3HG1 VAL 45 HG13 VAL 45 -7.270 -0.434 -2.567 366 1HG2 VAL 45 HG21 VAL 45 -4.731 -2.449 -4.286 367 2HG2 VAL 45 HG22 VAL 45 -5.855 -3.700 -3.751 368 3HG2 VAL 45 HG23 VAL 45 -5.825 -3.206 -5.443 369 H LYS 46 HN LYS 46 -9.227 -0.642 -5.803 370 HA LYS 46 HA LYS 46 -10.491 0.998 -3.850 371 1HB LYS 46 HB2 LYS 46 -9.782 1.601 -6.241 372 2HB LYS 46 HB3 LYS 46 -11.236 0.776 -6.771 373 1HG LYS 46 HG2 LYS 46 -12.601 2.359 -5.511 374 2HG LYS 46 HG3 LYS 46 -11.136 3.182 -4.962 375 1HD LYS 46 HD2 LYS 46 -10.546 3.489 -7.397 376 2HD LYS 46 HD3 LYS 46 -12.177 2.940 -7.776 377 1HE LYS 46 HE2 LYS 46 -13.118 4.791 -6.532 378 2HE LYS 46 HE3 LYS 46 -11.507 5.307 -6.037 379 1HZ LYS 46 HZ1 LYS 46 -10.972 5.662 -8.389 380 2HZ LYS 46 HZ2 LYS 46 -12.260 6.636 -7.873 381 3HZ LYS 46 HZ3 LYS 46 -12.564 5.259 -8.815 382 H ALA 47 HN ALA 47 -11.388 -1.799 -5.702 383 HA ALA 47 HA ALA 47 -14.183 -1.715 -5.336 384 1HB ALA 47 HB1 ALA 47 -14.156 -4.048 -6.029 385 2HB ALA 47 HB2 ALA 47 -13.096 -3.080 -7.051 386 3HB ALA 47 HB3 ALA 47 -12.409 -4.110 -5.796 387 H ILE 48 HN ILE 48 -11.628 -2.510 -3.184 388 HA ILE 48 HA ILE 48 -13.031 -4.216 -1.413 389 HB ILE 48 HB ILE 48 -10.812 -2.273 -0.705 390 1HG1 ILE 48 HG12 ILE 48 -10.631 -5.185 -1.515 391 2HG1 ILE 48 HG13 ILE 48 -10.224 -3.830 -2.561 392 1HG2 ILE 48 HG21 ILE 48 -11.796 -4.774 0.666 393 2HG2 ILE 48 HG22 ILE 48 -10.385 -3.831 1.146 394 3HG2 ILE 48 HG23 ILE 48 -11.997 -3.118 1.239 395 1HD1 ILE 48 HD11 ILE 48 -8.232 -4.804 -1.621 396 2HD1 ILE 48 HD12 ILE 48 -8.461 -3.173 -0.993 397 3HD1 ILE 48 HD13 ILE 48 -8.857 -4.568 0.011 398 H CYS 49 HN CYS 49 -12.865 -0.754 -1.851 399 HA CYS 49 HA CYS 49 -14.519 -0.323 0.527 400 1HB CYS 49 HB2 CYS 49 -12.980 1.598 -1.226 401 2HB CYS 49 HB3 CYS 49 -13.893 2.053 0.211 402 H LYS 50 HN LYS 50 -15.260 -1.282 -2.307 403 HA LYS 50 HA LYS 50 -16.860 0.663 -3.546 404 1HB LYS 50 HB2 LYS 50 -16.128 -1.408 -4.650 405 2HB LYS 50 HB3 LYS 50 -17.158 -2.344 -3.578 406 1HG LYS 50 HG2 LYS 50 -19.125 -1.175 -4.511 407 2HG LYS 50 HG3 LYS 50 -18.054 -0.350 -5.647 408 1HD LYS 50 HD2 LYS 50 -19.125 -2.306 -6.675 409 2HD LYS 50 HD3 LYS 50 -17.371 -2.496 -6.588 410 1HE LYS 50 HE2 LYS 50 -18.381 -4.568 -5.941 411 2HE LYS 50 HE3 LYS 50 -17.687 -3.820 -4.503 412 1HZ LYS 50 HZ1 LYS 50 -20.044 -2.892 -4.168 413 2HZ LYS 50 HZ2 LYS 50 -19.760 -4.523 -3.801 414 3HZ LYS 50 HZ3 LYS 50 -20.527 -4.104 -5.253 415 H GLY 51 HN GLY 51 -18.386 1.724 -2.469 416 1HA GLY 51 HA1 GLY 51 -20.711 1.748 -1.896 417 2HA GLY 51 HA2 GLY 51 -20.528 0.128 -1.242 418 H ILE 52 HN ILE 52 -17.873 1.702 -0.188 419 HA ILE 52 HA ILE 52 -19.183 2.308 2.370 420 HB ILE 52 HB ILE 52 -16.209 2.066 1.963 421 1HG1 ILE 52 HG12 ILE 52 -17.191 -0.029 1.163 422 2HG1 ILE 52 HG13 ILE 52 -16.377 -0.281 2.703 423 1HG2 ILE 52 HG21 ILE 52 -17.985 1.723 4.383 424 2HG2 ILE 52 HG22 ILE 52 -16.233 1.527 4.359 425 3HG2 ILE 52 HG23 ILE 52 -16.948 3.107 4.035 426 1HD1 ILE 52 HD11 ILE 52 -18.521 -0.266 3.851 427 2HD1 ILE 52 HD12 ILE 52 -19.346 0.026 2.320 428 3HD1 ILE 52 HD13 ILE 52 -18.485 -1.491 2.582 429 H ILE 53 HN ILE 53 -19.881 4.402 2.063 430 HA ILE 53 HA ILE 53 -18.116 6.402 0.965 431 HB ILE 53 HB ILE 53 -20.946 6.457 1.979 432 1HG1 ILE 53 HG12 ILE 53 -21.418 7.155 -0.339 433 2HG1 ILE 53 HG13 ILE 53 -19.713 7.036 -0.722 434 1HG2 ILE 53 HG21 ILE 53 -19.921 8.547 2.691 435 2HG2 ILE 53 HG22 ILE 53 -19.332 8.832 1.053 436 3HG2 ILE 53 HG23 ILE 53 -21.066 8.827 1.379 437 1HD1 ILE 53 HD11 ILE 53 -20.865 5.120 -1.566 438 2HD1 ILE 53 HD12 ILE 53 -19.825 4.621 -0.232 439 3HD1 ILE 53 HD13 ILE 53 -21.565 4.787 0.022 440 H ALA 54 HN ALA 54 -19.536 5.643 4.124 441 HA ALA 54 HA ALA 54 -18.197 7.875 5.382 442 1HB ALA 54 HB1 ALA 54 -19.176 7.036 7.456 443 2HB ALA 54 HB2 ALA 54 -20.392 7.143 6.182 444 3HB ALA 54 HB3 ALA 54 -19.710 5.577 6.623 445 H SER 55 HN SER 55 -16.379 7.850 6.572 446 HA SER 55 HA SER 55 -14.340 6.076 6.054 447 1HB SER 55 HB2 SER 55 -14.011 8.334 6.987 448 2HB SER 55 HB3 SER 55 -14.683 7.796 8.527 449 HG SER 55 HG SER 55 -12.876 6.755 8.983 450 H LYS 56 HN LYS 56 -14.361 3.970 6.406 451 HA LYS 56 HA LYS 56 -14.882 2.993 9.119 452 1HB LYS 56 HB2 LYS 56 -16.953 2.765 7.677 453 2HB LYS 56 HB3 LYS 56 -16.037 1.663 6.663 454 1HG LYS 56 HG2 LYS 56 -15.725 0.172 8.595 455 2HG LYS 56 HG3 LYS 56 -16.702 1.272 9.571 456 1HD LYS 56 HD2 LYS 56 -18.160 -0.459 8.865 457 2HD LYS 56 HD3 LYS 56 -18.542 0.947 7.866 458 1HE LYS 56 HE2 LYS 56 -17.114 0.021 6.077 459 2HE LYS 56 HE3 LYS 56 -16.834 -1.407 7.071 460 1HZ LYS 56 HZ1 LYS 56 -19.301 -1.722 7.067 461 2HZ LYS 56 HZ2 LYS 56 -18.552 -1.933 5.560 462 3HZ LYS 56 HZ3 LYS 56 -19.400 -0.501 5.892 463 H ASN 57 HN ASN 57 -13.474 1.457 9.745 464 HA ASN 57 HA ASN 57 -11.329 0.753 7.923 465 1HB ASN 57 HB2 ASN 57 -11.812 0.044 10.828 466 2HB ASN 57 HB3 ASN 57 -10.381 -0.426 9.918 467 1HD2 ASN 57 HD21 ASN 57 -10.580 1.186 12.307 468 2HD2 ASN 57 HD22 ASN 57 -9.871 2.721 11.917 469 H VAL 58 HN VAL 58 -11.558 -0.914 6.569 470 HA VAL 58 HA VAL 58 -13.138 -3.209 7.527 471 HB VAL 58 HB VAL 58 -13.844 -3.699 5.306 472 1HG1 VAL 58 HG11 VAL 58 -14.108 -0.735 5.740 473 2HG1 VAL 58 HG12 VAL 58 -15.143 -1.735 4.721 474 3HG1 VAL 58 HG13 VAL 58 -15.123 -1.981 6.467 475 1HG2 VAL 58 HG21 VAL 58 -12.063 -1.462 4.368 476 2HG2 VAL 58 HG22 VAL 58 -11.823 -3.187 4.087 477 3HG2 VAL 58 HG23 VAL 58 -13.199 -2.357 3.359 478 H LEU 59 HN LEU 59 -12.228 -5.144 7.534 479 HA LEU 59 HA LEU 59 -9.465 -5.404 6.650 480 1HB LEU 59 HB2 LEU 59 -10.286 -6.072 8.960 481 2HB LEU 59 HB3 LEU 59 -11.160 -7.367 8.186 482 HG LEU 59 HG LEU 59 -8.905 -7.878 9.286 483 1HD1 LEU 59 HD11 LEU 59 -8.352 -9.554 7.606 484 2HD1 LEU 59 HD12 LEU 59 -10.081 -9.487 7.941 485 3HD1 LEU 59 HD13 LEU 59 -9.441 -8.757 6.470 486 1HD2 LEU 59 HD21 LEU 59 -6.953 -7.574 7.891 487 2HD2 LEU 59 HD22 LEU 59 -7.923 -6.695 6.708 488 3HD2 LEU 59 HD23 LEU 59 -7.674 -6.024 8.321 489 H THR 60 HN THR 60 -8.875 -6.714 4.979 490 HA THR 60 HA THR 60 -10.947 -7.239 3.080 491 HB THR 60 HB THR 60 -9.118 -8.087 1.621 492 HG1 THR 60 HG1 THR 60 -7.437 -8.798 2.692 493 1HG2 THR 60 HG21 THR 60 -8.606 -5.420 2.943 494 2HG2 THR 60 HG22 THR 60 -9.701 -5.725 1.593 495 3HG2 THR 60 HG23 THR 60 -7.963 -5.928 1.380 496 H THR 61 HN THR 61 -11.799 -9.088 2.391 497 HA THR 61 HA THR 61 -11.855 -11.290 4.158 498 HB THR 61 HB THR 61 -13.175 -12.364 2.297 499 HG1 THR 61 HG1 THR 61 -13.090 -11.472 0.382 500 1HG2 THR 61 HG21 THR 61 -15.074 -10.831 2.532 501 2HG2 THR 61 HG22 THR 61 -13.987 -9.574 3.127 502 3HG2 THR 61 HG23 THR 61 -14.240 -11.044 4.073 503 H SER 62 HN SER 62 -9.844 -10.497 1.515 504 HA SER 62 HA SER 62 -8.747 -13.223 1.452 505 1HB SER 62 HB2 SER 62 -8.883 -11.317 -0.895 506 2HB SER 62 HB3 SER 62 -8.325 -12.990 -0.920 507 HG SER 62 HG SER 62 -10.535 -12.615 -1.659 508 H GLU 63 HN GLU 63 -6.490 -13.368 0.941 509 HA GLU 63 HA GLU 63 -4.953 -11.158 1.995 510 1HB GLU 63 HB2 GLU 63 -3.711 -13.633 0.814 511 2HB GLU 63 HB3 GLU 63 -3.118 -12.603 2.098 512 1HG GLU 63 HG2 GLU 63 -3.740 -14.593 3.144 513 2HG GLU 63 HG3 GLU 63 -5.036 -13.457 3.504 514 H PHE 64 HN PHE 64 -3.533 -9.904 0.860 515 HA PHE 64 HA PHE 64 -3.644 -10.177 -2.071 516 1HB PHE 64 HB2 PHE 64 -3.332 -7.730 -0.335 517 2HB PHE 64 HB3 PHE 64 -3.026 -7.716 -2.064 518 HD1 PHE 64 HD1 PHE 64 -4.774 -7.299 -3.549 519 HD2 PHE 64 HD2 PHE 64 -5.660 -8.525 0.429 520 HE1 PHE 64 HE1 PHE 64 -7.163 -6.886 -3.957 521 HE2 PHE 64 HE2 PHE 64 -8.050 -8.112 0.026 522 HZ PHE 64 HZ PHE 64 -8.798 -7.295 -2.206 523 H TYR 65 HN TYR 65 -1.679 -9.358 -3.181 524 HA TYR 65 HA TYR 65 0.619 -10.624 -1.964 525 1HB TYR 65 HB2 TYR 65 0.383 -9.246 -4.649 526 2HB TYR 65 HB3 TYR 65 1.693 -10.301 -4.128 527 HD1 TYR 65 HD1 TYR 65 -1.310 -10.149 -5.930 528 HD2 TYR 65 HD2 TYR 65 0.928 -12.716 -3.386 529 HE1 TYR 65 HE1 TYR 65 -2.523 -12.087 -6.830 530 HE2 TYR 65 HE2 TYR 65 -0.279 -14.664 -4.278 531 HH TYR 65 HH TYR 65 -2.409 -15.168 -5.392 532 H LEU 66 HN LEU 66 1.564 -9.409 -0.423 533 HA LEU 66 HA LEU 66 1.726 -6.513 -0.836 534 1HB LEU 66 HB2 LEU 66 2.240 -8.121 1.663 535 2HB LEU 66 HB3 LEU 66 2.157 -6.373 1.551 536 HG LEU 66 HG LEU 66 -0.124 -8.287 1.080 537 1HD1 LEU 66 HD11 LEU 66 0.496 -8.084 3.429 538 2HD1 LEU 66 HD12 LEU 66 0.380 -6.328 3.308 539 3HD1 LEU 66 HD13 LEU 66 -1.063 -7.322 3.110 540 1HD2 LEU 66 HD21 LEU 66 -0.090 -5.274 1.042 541 2HD2 LEU 66 HD22 LEU 66 -0.291 -6.326 -0.361 542 3HD2 LEU 66 HD23 LEU 66 -1.522 -6.296 0.902 543 H SER 67 HN SER 67 3.647 -5.380 -0.621 544 HA SER 67 HA SER 67 6.102 -6.991 -0.507 545 1HB SER 67 HB2 SER 67 5.636 -4.588 -2.286 546 2HB SER 67 HB3 SER 67 7.071 -5.611 -2.245 547 HG SER 67 HG SER 67 6.082 -6.697 -3.740 548 H ASP 68 HN ASP 68 7.069 -6.455 1.334 549 HA ASP 68 HA ASP 68 6.689 -3.802 2.474 550 1HB ASP 68 HB2 ASP 68 7.570 -6.429 3.501 551 2HB ASP 68 HB3 ASP 68 8.353 -5.029 4.220 552 H CYS 69 HN CYS 69 8.006 -2.242 1.832 553 HA CYS 69 HA CYS 69 10.817 -2.892 1.364 554 1HB CYS 69 HB2 CYS 69 9.106 -0.499 0.762 555 2HB CYS 69 HB3 CYS 69 10.862 -0.363 0.755 556 H ASN 70 HN ASN 70 12.188 -2.737 2.957 557 HA ASN 70 HA ASN 70 11.602 -0.872 5.168 558 1HB ASN 70 HB2 ASN 70 12.974 -3.570 5.387 559 2HB ASN 70 HB3 ASN 70 12.657 -2.460 6.713 560 1HD2 ASN 70 HD21 ASN 70 11.367 -4.873 4.626 561 2HD2 ASN 70 HD22 ASN 70 9.827 -5.021 5.403 562 H VAL 71 HN VAL 71 13.384 0.118 6.135 563 HA VAL 71 HA VAL 71 15.609 0.554 4.387 564 HB VAL 71 HB VAL 71 14.613 2.290 5.898 565 1HG1 VAL 71 HG11 VAL 71 14.340 0.969 7.905 566 2HG1 VAL 71 HG12 VAL 71 16.087 0.783 8.047 567 3HG1 VAL 71 HG13 VAL 71 15.352 2.377 8.227 568 1HG2 VAL 71 HG21 VAL 71 16.771 3.327 6.469 569 2HG2 VAL 71 HG22 VAL 71 17.577 1.790 6.152 570 3HG2 VAL 71 HG23 VAL 71 16.765 2.647 4.842 571 H THR 72 HN THR 72 17.635 -0.131 4.552 572 HA THR 72 HA THR 72 18.012 -2.606 6.010 573 HB THR 72 HB THR 72 20.113 -2.737 4.668 574 HG1 THR 72 HG1 THR 72 19.135 -0.414 3.340 575 1HG2 THR 72 HG21 THR 72 17.626 -2.158 3.046 576 2HG2 THR 72 HG22 THR 72 18.028 -3.703 3.800 577 3HG2 THR 72 HG23 THR 72 19.035 -3.069 2.498 578 H SER 73 HN SER 73 20.955 -2.095 5.837 579 HA SER 73 HA SER 73 21.267 -1.012 8.496 580 1HB SER 73 HB2 SER 73 23.773 -1.621 7.773 581 2HB SER 73 HB3 SER 73 22.630 -2.843 8.332 582 HG SER 73 HG SER 73 22.390 -3.581 6.331 583 H ARG 74 HN ARG 74 21.305 0.129 5.351 584 HA ARG 74 HA ARG 74 22.814 2.502 6.167 585 1HB ARG 74 HB2 ARG 74 24.014 1.625 4.356 586 2HB ARG 74 HB3 ARG 74 22.555 1.115 3.514 587 1HG ARG 74 HG2 ARG 74 21.990 3.442 3.093 588 2HG ARG 74 HG3 ARG 74 23.472 3.951 3.903 589 1HD ARG 74 HD2 ARG 74 24.819 2.867 2.230 590 2HD ARG 74 HD3 ARG 74 23.387 2.161 1.478 591 HE ARG 74 HE ARG 74 23.120 4.964 1.534 592 1HH1 ARG 74 HH12 ARG 74 25.061 2.506 -0.032 593 2HH1 ARG 74 HH11 ARG 74 25.239 3.408 -1.507 594 1HH2 ARG 74 HH22 ARG 74 23.352 6.145 -0.384 595 2HH2 ARG 74 HH21 ARG 74 24.263 5.486 -1.709 596 HA PRO 75 HA PRO 75 18.911 4.620 6.033 597 1HB PRO 75 HB2 PRO 75 20.581 6.989 5.409 598 2HB PRO 75 HB3 PRO 75 19.425 6.740 6.722 599 1HG PRO 75 HG2 PRO 75 22.060 6.730 7.179 600 2HG PRO 75 HG3 PRO 75 20.968 5.637 8.051 601 1HD PRO 75 HD2 PRO 75 22.812 5.058 5.772 602 2HD PRO 75 HD3 PRO 75 22.420 4.062 7.189 603 H CYS 76 HN CYS 76 17.505 5.053 4.455 604 HA CYS 76 HA CYS 76 16.608 5.358 2.412 605 1HB CYS 76 HB2 CYS 76 19.175 6.835 1.802 606 2HB CYS 76 HB3 CYS 76 17.681 6.934 0.873 607 H LYS 77 HN LYS 77 18.680 3.128 2.965 608 HA LYS 77 HA LYS 77 18.724 2.216 0.165 609 1HB LYS 77 HB2 LYS 77 20.924 2.130 1.282 610 2HB LYS 77 HB3 LYS 77 20.237 1.145 2.565 611 1HG LYS 77 HG2 LYS 77 21.309 -0.407 1.241 612 2HG LYS 77 HG3 LYS 77 19.644 -0.503 0.678 613 1HD LYS 77 HD2 LYS 77 21.730 1.203 -0.665 614 2HD LYS 77 HD3 LYS 77 21.440 -0.478 -1.107 615 1HE LYS 77 HE2 LYS 77 19.073 0.119 -1.580 616 2HE LYS 77 HE3 LYS 77 19.474 1.805 -1.261 617 1HZ LYS 77 HZ1 LYS 77 19.526 1.356 -3.623 618 2HZ LYS 77 HZ2 LYS 77 20.640 0.100 -3.396 619 3HZ LYS 77 HZ3 LYS 77 21.097 1.700 -3.073 620 H TYR 78 HN TYR 78 17.228 0.707 -0.380 621 HA TYR 78 HA TYR 78 15.446 -0.100 1.810 622 1HB TYR 78 HB2 TYR 78 14.577 -0.024 -1.056 623 2HB TYR 78 HB3 TYR 78 13.650 0.314 0.408 624 HD1 TYR 78 HD1 TYR 78 13.899 2.528 1.538 625 HD2 TYR 78 HD2 TYR 78 15.767 1.690 -2.189 626 HE1 TYR 78 HE1 TYR 78 14.253 4.934 1.175 627 HE2 TYR 78 HE2 TYR 78 16.119 4.091 -2.565 628 HH TYR 78 HH TYR 78 15.284 6.212 -1.866 629 H LYS 79 HN LYS 79 14.659 -2.141 1.952 630 HA LYS 79 HA LYS 79 15.648 -4.116 -0.005 631 1HB LYS 79 HB2 LYS 79 16.546 -4.053 2.493 632 2HB LYS 79 HB3 LYS 79 15.040 -4.901 2.810 633 1HG LYS 79 HG2 LYS 79 16.843 -6.477 2.506 634 2HG LYS 79 HG3 LYS 79 15.682 -6.623 1.182 635 1HD LYS 79 HD2 LYS 79 17.113 -5.422 -0.304 636 2HD LYS 79 HD3 LYS 79 18.197 -4.970 1.013 637 1HE LYS 79 HE2 LYS 79 17.705 -7.789 0.060 638 2HE LYS 79 HE3 LYS 79 19.089 -6.794 -0.394 639 1HZ LYS 79 HZ1 LYS 79 18.407 -7.622 2.381 640 2HZ LYS 79 HZ2 LYS 79 19.753 -6.701 1.921 641 3HZ LYS 79 HZ3 LYS 79 19.619 -8.315 1.419 642 H LEU 80 HN LEU 80 14.149 -5.527 -0.801 643 HA LEU 80 HA LEU 80 11.369 -4.879 -0.152 644 1HB LEU 80 HB2 LEU 80 12.315 -4.755 -2.501 645 2HB LEU 80 HB3 LEU 80 12.412 -6.499 -2.467 646 HG LEU 80 HG LEU 80 10.394 -5.337 -3.610 647 1HD1 LEU 80 HD11 LEU 80 8.946 -7.214 -3.057 648 2HD1 LEU 80 HD12 LEU 80 10.603 -7.742 -3.339 649 3HD1 LEU 80 HD13 LEU 80 9.987 -7.618 -1.692 650 1HD2 LEU 80 HD21 LEU 80 9.839 -3.892 -1.724 651 2HD2 LEU 80 HD22 LEU 80 8.499 -4.954 -2.152 652 3HD2 LEU 80 HD23 LEU 80 9.494 -5.316 -0.744 653 H LYS 81 HN LYS 81 9.825 -6.453 0.279 654 HA LYS 81 HA LYS 81 10.728 -9.197 0.804 655 1HB LYS 81 HB2 LYS 81 10.822 -7.878 2.936 656 2HB LYS 81 HB3 LYS 81 9.105 -7.553 2.758 657 1HG LYS 81 HG2 LYS 81 8.828 -10.106 2.707 658 2HG LYS 81 HG3 LYS 81 10.467 -10.148 3.362 659 1HD LYS 81 HD2 LYS 81 8.917 -10.222 5.194 660 2HD LYS 81 HD3 LYS 81 9.695 -8.637 5.194 661 1HE LYS 81 HE2 LYS 81 7.721 -7.772 3.915 662 2HE LYS 81 HE3 LYS 81 6.944 -9.330 4.185 663 1HZ LYS 81 HZ1 LYS 81 6.969 -8.960 6.527 664 2HZ LYS 81 HZ2 LYS 81 6.298 -7.582 5.786 665 3HZ LYS 81 HZ3 LYS 81 7.895 -7.547 6.357 666 H LYS 82 HN LYS 82 9.395 -10.453 -0.383 667 HA LYS 82 HA LYS 82 6.727 -9.514 -1.038 668 1HB LYS 82 HB2 LYS 82 8.057 -12.107 -1.822 669 2HB LYS 82 HB3 LYS 82 6.636 -11.379 -2.558 670 1HG LYS 82 HG2 LYS 82 8.062 -9.458 -3.250 671 2HG LYS 82 HG3 LYS 82 9.464 -10.357 -2.660 672 1HD LYS 82 HD2 LYS 82 8.912 -12.182 -4.202 673 2HD LYS 82 HD3 LYS 82 7.552 -11.238 -4.803 674 1HE LYS 82 HE2 LYS 82 9.281 -10.884 -6.358 675 2HE LYS 82 HE3 LYS 82 9.250 -9.431 -5.359 676 1HZ LYS 82 HZ1 LYS 82 11.483 -9.954 -5.467 677 2HZ LYS 82 HZ2 LYS 82 11.217 -11.623 -5.378 678 3HZ LYS 82 HZ3 LYS 82 11.034 -10.662 -3.993 679 H SER 83 HN SER 83 5.016 -9.990 0.155 680 HA SER 83 HA SER 83 4.862 -12.626 1.426 681 1HB SER 83 HB2 SER 83 4.178 -10.031 2.835 682 2HB SER 83 HB3 SER 83 4.037 -11.656 3.510 683 HG SER 83 HG SER 83 6.483 -11.546 2.717 684 H THR 84 HN THR 84 2.512 -12.958 2.272 685 HA THR 84 HA THR 84 0.571 -11.511 0.607 686 HB THR 84 HB THR 84 0.375 -14.502 0.914 687 HG1 THR 84 HG1 THR 84 2.352 -13.953 -0.200 688 1HG2 THR 84 HG21 THR 84 -1.071 -14.302 -1.055 689 2HG2 THR 84 HG22 THR 84 -0.781 -12.563 -1.097 690 3HG2 THR 84 HG23 THR 84 -1.652 -13.279 0.259 691 H ASN 85 HN ASN 85 -0.819 -10.633 1.982 692 HA ASN 85 HA ASN 85 -2.036 -12.217 4.077 693 1HB ASN 85 HB2 ASN 85 0.151 -10.942 4.921 694 2HB ASN 85 HB3 ASN 85 -0.973 -9.601 4.966 695 1HD2 ASN 85 HD21 ASN 85 0.409 -11.003 7.130 696 2HD2 ASN 85 HD22 ASN 85 -0.837 -11.537 8.208 697 H LYS 86 HN LYS 86 -3.939 -11.128 4.979 698 HA LYS 86 HA LYS 86 -5.272 -9.395 3.133 699 1HB LYS 86 HB2 LYS 86 -6.081 -9.819 6.003 700 2HB LYS 86 HB3 LYS 86 -7.108 -9.513 4.613 701 1HG LYS 86 HG2 LYS 86 -6.556 -11.767 3.754 702 2HG LYS 86 HG3 LYS 86 -5.630 -12.064 5.227 703 1HD LYS 86 HD2 LYS 86 -7.732 -11.519 6.505 704 2HD LYS 86 HD3 LYS 86 -8.569 -11.539 4.964 705 1HE LYS 86 HE2 LYS 86 -6.941 -13.867 5.916 706 2HE LYS 86 HE3 LYS 86 -8.634 -13.670 6.364 707 1HZ LYS 86 HZ1 LYS 86 -8.457 -15.089 4.458 708 2HZ LYS 86 HZ2 LYS 86 -7.548 -13.944 3.609 709 3HZ LYS 86 HZ3 LYS 86 -9.174 -13.632 3.977 710 H PHE 87 HN PHE 87 -6.245 -7.252 4.082 711 HA PHE 87 HA PHE 87 -4.626 -6.051 6.142 712 1HB PHE 87 HB2 PHE 87 -4.012 -4.059 4.765 713 2HB PHE 87 HB3 PHE 87 -3.179 -5.540 4.317 714 HD1 PHE 87 HD1 PHE 87 -3.204 -6.272 2.093 715 HD2 PHE 87 HD2 PHE 87 -6.031 -3.363 3.375 716 HE1 PHE 87 HE1 PHE 87 -3.945 -5.975 -0.234 717 HE2 PHE 87 HE2 PHE 87 -6.771 -3.058 1.050 718 HZ PHE 87 HZ PHE 87 -5.609 -4.294 -0.788 719 H CYS 88 HN CYS 88 -5.435 -4.053 6.915 720 HA CYS 88 HA CYS 88 -8.316 -3.782 6.431 721 1HB CYS 88 HB2 CYS 88 -7.508 -4.242 8.757 722 2HB CYS 88 HB3 CYS 88 -6.641 -2.712 8.719 723 H VAL 89 HN VAL 89 -8.934 -2.116 5.209 724 HA VAL 89 HA VAL 89 -7.195 0.259 5.113 725 HB VAL 89 HB VAL 89 -8.348 0.733 2.888 726 1HG1 VAL 89 HG11 VAL 89 -6.569 -1.693 3.078 727 2HG1 VAL 89 HG12 VAL 89 -6.825 -0.706 1.640 728 3HG1 VAL 89 HG13 VAL 89 -6.032 -0.013 3.054 729 1HG2 VAL 89 HG21 VAL 89 -10.203 -0.849 3.124 730 2HG2 VAL 89 HG22 VAL 89 -9.259 -1.191 1.672 731 3HG2 VAL 89 HG23 VAL 89 -9.062 -2.193 3.113 732 H THR 90 HN THR 90 -8.090 2.242 5.459 733 HA THR 90 HA THR 90 -10.746 2.300 6.572 734 HB THR 90 HB THR 90 -8.992 4.677 5.965 735 HG1 THR 90 HG1 THR 90 -9.068 3.073 8.334 736 1HG2 THR 90 HG21 THR 90 -10.246 5.715 7.792 737 2HG2 THR 90 HG22 THR 90 -11.182 4.233 7.995 738 3HG2 THR 90 HG23 THR 90 -11.325 5.171 6.507 739 H CYS 91 HN CYS 91 -12.380 2.208 5.159 740 HA CYS 91 HA CYS 91 -12.075 3.344 2.502 741 1HB CYS 91 HB2 CYS 91 -14.314 1.762 3.771 742 2HB CYS 91 HB3 CYS 91 -14.242 2.235 2.074 743 H GLU 92 HN GLU 92 -12.750 5.281 1.949 744 HA GLU 92 HA GLU 92 -15.188 6.351 3.129 745 1HB GLU 92 HB2 GLU 92 -13.278 7.295 4.434 746 2HB GLU 92 HB3 GLU 92 -12.666 7.988 2.941 747 1HG GLU 92 HG2 GLU 92 -14.763 9.274 2.723 748 2HG GLU 92 HG3 GLU 92 -15.279 8.634 4.278 749 H ASN 93 HN ASN 93 -16.429 7.366 1.657 750 HA ASN 93 HA ASN 93 -17.227 7.998 -0.375 751 1HB ASN 93 HB2 ASN 93 -14.369 8.930 -0.758 752 2HB ASN 93 HB3 ASN 93 -15.711 9.357 -1.815 753 1HD2 ASN 93 HD21 ASN 93 -13.928 10.978 -0.102 754 2HD2 ASN 93 HD22 ASN 93 -14.995 11.906 0.896 755 H GLN 94 HN GLN 94 -16.225 5.342 0.003 756 HA GLN 94 HA GLN 94 -16.062 3.419 -1.155 757 1HB GLN 94 HB2 GLN 94 -16.565 5.160 -3.565 758 2HB GLN 94 HB3 GLN 94 -16.540 3.402 -3.581 759 1HG GLN 94 HG2 GLN 94 -18.365 3.499 -1.836 760 2HG GLN 94 HG3 GLN 94 -18.489 5.217 -2.209 761 1HE2 GLN 94 HE21 GLN 94 -17.710 2.804 -4.598 762 2HE2 GLN 94 HE22 GLN 94 -19.209 2.910 -5.464 763 H ALA 95 HN ALA 95 -13.761 5.361 -0.790 764 HA ALA 95 HA ALA 95 -11.914 3.853 -2.500 765 1HB ALA 95 HB1 ALA 95 -10.572 5.874 -2.856 766 2HB ALA 95 HB2 ALA 95 -12.203 6.061 -3.503 767 3HB ALA 95 HB3 ALA 95 -11.769 6.822 -1.973 768 HA PRO 96 HA PRO 96 -9.764 3.212 1.379 769 1HB PRO 96 HB2 PRO 96 -7.491 2.514 -0.331 770 2HB PRO 96 HB3 PRO 96 -8.364 1.511 0.827 771 1HG PRO 96 HG2 PRO 96 -8.535 1.186 -1.872 772 2HG PRO 96 HG3 PRO 96 -9.832 0.746 -0.756 773 1HD PRO 96 HD2 PRO 96 -9.617 3.070 -2.574 774 2HD PRO 96 HD3 PRO 96 -11.053 2.196 -2.020 775 H VAL 97 HN VAL 97 -9.320 5.215 2.227 776 HA VAL 97 HA VAL 97 -7.356 6.888 0.817 777 HB VAL 97 HB VAL 97 -8.251 8.770 2.185 778 1HG1 VAL 97 HG11 VAL 97 -9.043 8.417 -0.084 779 2HG1 VAL 97 HG12 VAL 97 -10.255 7.274 0.496 780 3HG1 VAL 97 HG13 VAL 97 -10.364 8.977 0.942 781 1HG2 VAL 97 HG21 VAL 97 -9.117 7.375 4.036 782 2HG2 VAL 97 HG22 VAL 97 -10.327 8.492 3.398 783 3HG2 VAL 97 HG23 VAL 97 -10.385 6.785 2.960 784 H HIS 98 HN HIS 98 -7.906 5.154 3.735 785 HA HIS 98 HA HIS 98 -5.324 6.133 4.749 786 1HB HIS 98 HB2 HIS 98 -7.890 5.733 6.268 787 2HB HIS 98 HB3 HIS 98 -6.340 5.627 7.080 788 HD1 HIS 98 HD1 HIS 98 -5.745 7.718 8.208 789 HD2 HIS 98 HD2 HIS 98 -7.983 8.421 4.769 790 HE1 HIS 98 HE1 HIS 98 -6.078 10.210 8.105 791 HE2 HIS 98 HE2 HIS 98 -7.534 10.598 6.089 792 H PHE 99 HN PHE 99 -3.947 4.567 5.495 793 HA PHE 99 HA PHE 99 -4.851 1.807 5.099 794 1HB PHE 99 HB2 PHE 99 -2.833 2.627 3.848 795 2HB PHE 99 HB3 PHE 99 -2.012 2.808 5.394 796 HD1 PHE 99 HD1 PHE 99 -0.744 1.069 6.193 797 HD2 PHE 99 HD2 PHE 99 -3.846 0.252 3.397 798 HE1 PHE 99 HE1 PHE 99 -0.033 -1.282 6.103 799 HE2 PHE 99 HE2 PHE 99 -3.140 -2.103 3.300 800 HZ PHE 99 HZ PHE 99 -1.249 -2.876 4.642 801 H VAL 100 HN VAL 100 -5.243 0.571 6.801 802 HA VAL 100 HA VAL 100 -4.611 1.554 9.453 803 HB VAL 100 HB VAL 100 -6.124 -0.923 8.596 804 1HG1 VAL 100 HG11 VAL 100 -6.973 -0.948 10.902 805 2HG1 VAL 100 HG12 VAL 100 -5.227 -1.191 10.824 806 3HG1 VAL 100 HG13 VAL 100 -5.880 0.377 11.303 807 1HG2 VAL 100 HG21 VAL 100 -7.151 1.761 9.519 808 2HG2 VAL 100 HG22 VAL 100 -7.244 1.128 7.876 809 3HG2 VAL 100 HG23 VAL 100 -8.142 0.345 9.178 810 H GLY 101 HN GLY 101 -4.284 -1.661 7.925 811 1HA GLY 101 HA1 GLY 101 -1.538 -1.974 8.271 812 2HA GLY 101 HA2 GLY 101 -2.302 -2.567 9.741 813 H VAL 102 HN VAL 102 -1.005 -4.484 8.570 814 HA VAL 102 HA VAL 102 -2.840 -5.791 6.689 815 HB VAL 102 HB VAL 102 -1.132 -7.002 5.793 816 1HG1 VAL 102 HG11 VAL 102 0.826 -5.575 5.471 817 2HG1 VAL 102 HG12 VAL 102 -0.684 -4.674 5.353 818 3HG1 VAL 102 HG13 VAL 102 0.297 -4.561 6.813 819 1HG2 VAL 102 HG21 VAL 102 0.946 -7.634 6.860 820 2HG2 VAL 102 HG22 VAL 102 0.539 -6.665 8.279 821 3HG2 VAL 102 HG23 VAL 102 -0.424 -8.086 7.871 822 H GLY 103 HN GLY 103 -3.311 -8.039 6.956 823 1HA GLY 103 HA1 GLY 103 -3.580 -9.984 8.253 824 2HA GLY 103 HA2 GLY 103 -2.992 -9.110 9.663 825 H SER 104 HN SER 104 -4.434 -7.435 10.547 826 HA SER 104 HA SER 104 -7.282 -7.803 9.951 827 1HB SER 104 HB2 SER 104 -6.108 -7.955 12.734 828 2HB SER 104 HB3 SER 104 -7.806 -8.108 12.307 829 HG SER 104 HG SER 104 -6.415 -10.099 12.665 830 H CYS 105 HN CYS 105 -8.503 -6.216 11.554 831 HA CYS 105 HA CYS 105 -7.331 -3.589 11.123 832 1HB CYS 105 HB2 CYS 105 -10.015 -4.436 12.226 833 2HB CYS 105 HB3 CYS 105 -9.528 -2.762 11.982 Start of MODEL 12 1 1H MET 1 H1 MET 1 -4.774 16.020 2.574 2 2H MET 1 H2 MET 1 -4.491 17.173 1.371 3 3H MET 1 H3 MET 1 -3.193 16.301 2.023 4 HA MET 1 HA MET 1 -5.431 15.188 0.443 5 1HB MET 1 HB2 MET 1 -2.590 15.860 -0.278 6 2HB MET 1 HB3 MET 1 -3.483 14.625 -1.153 7 1HG MET 1 HG2 MET 1 -3.637 16.672 -2.361 8 2HG MET 1 HG3 MET 1 -5.217 16.313 -1.673 9 1HE MET 1 HE1 MET 1 -4.579 19.147 -2.824 10 2HE MET 1 HE2 MET 1 -6.101 18.753 -2.026 11 3HE MET 1 HE3 MET 1 -5.208 20.198 -1.555 12 H GLN 2 HN GLN 2 -5.794 13.626 2.057 13 HA GLN 2 HA GLN 2 -3.932 11.380 1.711 14 1HB GLN 2 HB2 GLN 2 -5.563 11.984 4.194 15 2HB GLN 2 HB3 GLN 2 -4.629 10.518 3.931 16 1HG GLN 2 HG2 GLN 2 -2.585 11.893 3.777 17 2HG GLN 2 HG3 GLN 2 -3.551 13.315 4.162 18 1HE2 GLN 2 HE21 GLN 2 -2.430 13.741 6.029 19 2HE2 GLN 2 HE22 GLN 2 -2.588 12.769 7.455 20 H ASP 3 HN ASP 3 -5.118 10.780 -0.085 21 HA ASP 3 HA ASP 3 -7.866 9.858 0.358 22 1HB ASP 3 HB2 ASP 3 -8.602 10.997 -1.695 23 2HB ASP 3 HB3 ASP 3 -8.000 12.162 -0.514 24 H TRP 4 HN TRP 4 -8.528 9.152 -2.151 25 HA TRP 4 HA TRP 4 -7.292 6.671 -2.440 26 1HB TRP 4 HB2 TRP 4 -9.574 7.092 -3.170 27 2HB TRP 4 HB3 TRP 4 -9.004 8.220 -4.393 28 HD1 TRP 4 HD1 TRP 4 -9.479 7.079 -6.639 29 HE1 TRP 4 HE1 TRP 4 -8.987 4.773 -7.677 30 HE3 TRP 4 HE3 TRP 4 -7.534 4.749 -2.532 31 HZ2 TRP 4 HZ2 TRP 4 -7.904 2.305 -6.855 32 HZ3 TRP 4 HZ3 TRP 4 -6.809 2.404 -2.733 33 HH2 TRP 4 HH2 TRP 4 -6.979 1.215 -4.859 34 H LEU 5 HN LEU 5 -6.811 9.673 -4.295 35 HA LEU 5 HA LEU 5 -5.107 8.480 -6.230 36 1HB LEU 5 HB2 LEU 5 -5.534 11.338 -5.376 37 2HB LEU 5 HB3 LEU 5 -4.437 10.889 -6.665 38 HG LEU 5 HG LEU 5 -6.468 11.620 -7.659 39 1HD1 LEU 5 HD11 LEU 5 -6.331 8.614 -7.731 40 2HD1 LEU 5 HD12 LEU 5 -7.173 9.631 -8.901 41 3HD1 LEU 5 HD13 LEU 5 -5.421 9.734 -8.744 42 1HD2 LEU 5 HD21 LEU 5 -8.645 10.675 -7.193 43 2HD2 LEU 5 HD22 LEU 5 -7.945 9.590 -5.991 44 3HD2 LEU 5 HD23 LEU 5 -7.941 11.333 -5.716 45 H THR 6 HN THR 6 -4.611 10.090 -3.162 46 HA THR 6 HA THR 6 -1.758 10.153 -3.318 47 HB THR 6 HB THR 6 -3.569 10.362 -0.895 48 HG1 THR 6 HG1 THR 6 -4.085 12.160 -1.961 49 1HG2 THR 6 HG21 THR 6 -1.227 9.853 -0.315 50 2HG2 THR 6 HG22 THR 6 -1.684 11.484 0.178 51 3HG2 THR 6 HG23 THR 6 -0.700 11.244 -1.265 52 H PHE 7 HN PHE 7 -4.160 7.983 -1.948 53 HA PHE 7 HA PHE 7 -2.470 6.209 -0.583 54 1HB PHE 7 HB2 PHE 7 -4.970 6.311 -0.412 55 2HB PHE 7 HB3 PHE 7 -5.070 5.576 -2.006 56 HD1 PHE 7 HD1 PHE 7 -4.570 5.019 1.530 57 HD2 PHE 7 HD2 PHE 7 -4.295 3.255 -2.332 58 HE1 PHE 7 HE1 PHE 7 -4.488 2.785 2.563 59 HE2 PHE 7 HE2 PHE 7 -4.227 1.016 -1.309 60 HZ PHE 7 HZ PHE 7 -4.366 0.791 1.169 61 H GLN 8 HN GLN 8 -3.599 6.294 -3.924 62 HA GLN 8 HA GLN 8 -2.641 3.853 -4.810 63 1HB GLN 8 HB2 GLN 8 -3.353 6.425 -6.058 64 2HB GLN 8 HB3 GLN 8 -2.331 5.354 -6.999 65 1HG GLN 8 HG2 GLN 8 -4.005 3.556 -6.690 66 2HG GLN 8 HG3 GLN 8 -5.041 4.716 -5.857 67 1HE2 GLN 8 HE21 GLN 8 -6.062 6.317 -7.033 68 2HE2 GLN 8 HE22 GLN 8 -6.168 6.283 -8.762 69 H LYS 9 HN LYS 9 -1.017 7.020 -5.166 70 HA LYS 9 HA LYS 9 1.311 6.215 -6.377 71 1HB LYS 9 HB2 LYS 9 0.853 8.337 -4.287 72 2HB LYS 9 HB3 LYS 9 2.378 8.148 -5.137 73 1HG LYS 9 HG2 LYS 9 1.423 8.761 -7.197 74 2HG LYS 9 HG3 LYS 9 -0.221 8.594 -6.569 75 1HD LYS 9 HD2 LYS 9 -0.054 10.521 -5.274 76 2HD LYS 9 HD3 LYS 9 1.707 10.530 -5.341 77 1HE LYS 9 HE2 LYS 9 0.745 12.305 -6.716 78 2HE LYS 9 HE3 LYS 9 1.629 11.138 -7.694 79 1HZ LYS 9 HZ1 LYS 9 -1.308 11.046 -7.328 80 2HZ LYS 9 HZ2 LYS 9 -0.377 10.192 -8.462 81 3HZ LYS 9 HZ3 LYS 9 -0.559 11.873 -8.600 82 H LYS 10 HN LYS 10 0.425 5.993 -3.016 83 HA LYS 10 HA LYS 10 3.165 5.373 -2.235 84 1HB LYS 10 HB2 LYS 10 0.692 5.903 -0.591 85 2HB LYS 10 HB3 LYS 10 2.278 5.568 0.086 86 1HG LYS 10 HG2 LYS 10 3.170 7.584 -0.887 87 2HG LYS 10 HG3 LYS 10 1.650 7.891 -1.729 88 1HD LYS 10 HD2 LYS 10 0.522 8.035 0.481 89 2HD LYS 10 HD3 LYS 10 2.098 7.877 1.255 90 1HE LYS 10 HE2 LYS 10 1.352 10.057 -0.688 91 2HE LYS 10 HE3 LYS 10 1.294 10.222 1.065 92 1HZ LYS 10 HZ1 LYS 10 3.625 10.019 1.211 93 2HZ LYS 10 HZ2 LYS 10 3.340 11.101 -0.062 94 3HZ LYS 10 HZ3 LYS 10 3.773 9.499 -0.393 95 H HIS 11 HN HIS 11 0.303 3.600 -2.950 96 HA HIS 11 HA HIS 11 1.443 1.311 -1.494 97 1HB HIS 11 HB2 HIS 11 -1.455 2.136 -1.370 98 2HB HIS 11 HB3 HIS 11 -0.810 0.630 -0.729 99 HD1 HIS 11 HD1 HIS 11 1.157 1.037 1.187 100 HD2 HIS 11 HD2 HIS 11 -1.491 4.154 0.411 101 HE1 HIS 11 HE1 HIS 11 1.304 2.569 3.182 102 HE2 HIS 11 HE2 HIS 11 -0.420 4.370 2.756 103 H ILE 12 HN ILE 12 0.034 2.423 -4.390 104 HA ILE 12 HA ILE 12 -0.790 -0.304 -5.117 105 HB ILE 12 HB ILE 12 -1.322 2.308 -6.554 106 1HG1 ILE 12 HG12 ILE 12 -2.573 2.111 -4.474 107 2HG1 ILE 12 HG13 ILE 12 -3.655 1.951 -5.848 108 1HG2 ILE 12 HG21 ILE 12 -2.879 0.989 -7.945 109 2HG2 ILE 12 HG22 ILE 12 -1.192 0.507 -8.154 110 3HG2 ILE 12 HG23 ILE 12 -2.278 -0.481 -7.176 111 1HD1 ILE 12 HD11 ILE 12 -2.593 -0.282 -4.140 112 2HD1 ILE 12 HD12 ILE 12 -4.229 0.376 -4.120 113 3HD1 ILE 12 HD13 ILE 12 -3.641 -0.481 -5.545 114 H THR 13 HN THR 13 0.738 -1.505 -6.017 115 HA THR 13 HA THR 13 2.503 -0.219 -7.984 116 HB THR 13 HB THR 13 3.735 -0.779 -5.879 117 HG1 THR 13 HG1 THR 13 5.284 -0.879 -7.305 118 1HG2 THR 13 HG21 THR 13 3.146 -3.632 -6.687 119 2HG2 THR 13 HG22 THR 13 2.546 -2.814 -5.244 120 3HG2 THR 13 HG23 THR 13 4.272 -3.133 -5.423 121 H ASN 14 HN ASN 14 3.250 -1.602 -9.681 122 HA ASN 14 HA ASN 14 1.262 -3.666 -10.340 123 1HB ASN 14 HB2 ASN 14 1.228 -1.668 -11.770 124 2HB ASN 14 HB3 ASN 14 2.928 -1.902 -12.151 125 1HD2 ASN 14 HD21 ASN 14 3.466 -3.175 -13.812 126 2HD2 ASN 14 HD22 ASN 14 2.349 -4.126 -14.732 127 H THR 15 HN THR 15 4.130 -3.628 -9.034 128 HA THR 15 HA THR 15 5.041 -5.994 -10.524 129 HB THR 15 HB THR 15 6.543 -4.132 -11.079 130 HG1 THR 15 HG1 THR 15 8.378 -5.281 -10.728 131 1HG2 THR 15 HG21 THR 15 7.970 -3.129 -9.350 132 2HG2 THR 15 HG22 THR 15 7.072 -4.003 -8.110 133 3HG2 THR 15 HG23 THR 15 6.266 -2.768 -9.079 134 H ARG 16 HN ARG 16 6.003 -7.637 -9.280 135 HA ARG 16 HA ARG 16 5.002 -7.818 -6.604 136 1HB ARG 16 HB2 ARG 16 6.658 -9.631 -8.335 137 2HB ARG 16 HB3 ARG 16 6.381 -9.996 -6.638 138 1HG ARG 16 HG2 ARG 16 4.200 -9.561 -8.658 139 2HG ARG 16 HG3 ARG 16 4.812 -11.141 -8.151 140 1HD ARG 16 HD2 ARG 16 3.684 -9.073 -6.277 141 2HD ARG 16 HD3 ARG 16 2.742 -10.399 -6.961 142 HE ARG 16 HE ARG 16 4.458 -11.875 -5.825 143 1HH1 ARG 16 HH12 ARG 16 3.661 -8.684 -4.598 144 2HH1 ARG 16 HH11 ARG 16 4.001 -9.097 -2.949 145 1HH2 ARG 16 HH22 ARG 16 4.889 -12.420 -3.674 146 2HH2 ARG 16 HH21 ARG 16 4.652 -11.246 -2.415 147 H ASP 17 HN ASP 17 8.087 -7.092 -8.059 148 HA ASP 17 HA ASP 17 9.196 -6.761 -5.346 149 1HB ASP 17 HB2 ASP 17 10.236 -8.541 -6.928 150 2HB ASP 17 HB3 ASP 17 10.894 -7.163 -7.804 151 H VAL 18 HN VAL 18 8.451 -4.648 -5.194 152 HA VAL 18 HA VAL 18 8.895 -2.733 -7.255 153 HB VAL 18 HB VAL 18 7.005 -2.294 -5.926 154 1HG1 VAL 18 HG11 VAL 18 7.156 -1.900 -3.449 155 2HG1 VAL 18 HG12 VAL 18 7.391 -3.574 -3.964 156 3HG1 VAL 18 HG13 VAL 18 8.783 -2.583 -3.516 157 1HG2 VAL 18 HG21 VAL 18 8.135 -0.263 -6.496 158 2HG2 VAL 18 HG22 VAL 18 7.473 -0.096 -4.869 159 3HG2 VAL 18 HG23 VAL 18 9.197 -0.405 -5.095 160 H ASP 19 HN ASP 19 10.492 -1.242 -7.498 161 HA ASP 19 HA ASP 19 12.962 -1.663 -6.178 162 1HB ASP 19 HB2 ASP 19 12.002 0.432 -8.123 163 2HB ASP 19 HB3 ASP 19 13.644 0.350 -7.528 164 H CYS 20 HN CYS 20 12.295 -1.318 -4.002 165 HA CYS 20 HA CYS 20 11.030 0.875 -2.955 166 1HB CYS 20 HB2 CYS 20 13.254 -0.564 -1.526 167 2HB CYS 20 HB3 CYS 20 11.821 0.208 -0.837 168 H ASP 21 HN ASP 21 14.611 0.488 -3.090 169 HA ASP 21 HA ASP 21 14.983 3.017 -1.828 170 1HB ASP 21 HB2 ASP 21 17.369 2.664 -2.163 171 2HB ASP 21 HB3 ASP 21 16.606 1.203 -1.551 172 H ASN 22 HN ASN 22 14.038 2.378 -4.907 173 HA ASN 22 HA ASN 22 15.306 4.810 -5.958 174 1HB ASN 22 HB2 ASN 22 15.349 2.728 -7.384 175 2HB ASN 22 HB3 ASN 22 13.594 2.813 -7.457 176 1HD2 ASN 22 HD21 ASN 22 13.500 3.101 -9.653 177 2HD2 ASN 22 HD22 ASN 22 14.018 4.566 -10.429 178 H ILE 23 HN ILE 23 12.166 3.230 -5.658 179 HA ILE 23 HA ILE 23 10.693 5.542 -6.408 180 HB ILE 23 HB ILE 23 9.857 2.979 -5.051 181 1HG1 ILE 23 HG12 ILE 23 9.579 4.027 -7.875 182 2HG1 ILE 23 HG13 ILE 23 10.642 2.732 -7.341 183 1HG2 ILE 23 HG21 ILE 23 8.301 4.757 -4.415 184 2HG2 ILE 23 HG22 ILE 23 8.073 5.170 -6.115 185 3HG2 ILE 23 HG23 ILE 23 7.543 3.598 -5.509 186 1HD1 ILE 23 HD11 ILE 23 8.682 1.874 -8.484 187 2HD1 ILE 23 HD12 ILE 23 8.707 1.366 -6.797 188 3HD1 ILE 23 HD13 ILE 23 7.636 2.670 -7.307 189 H LEU 24 HN LEU 24 11.739 4.218 -3.304 190 HA LEU 24 HA LEU 24 10.089 6.009 -1.782 191 1HB LEU 24 HB2 LEU 24 12.440 4.407 -0.792 192 2HB LEU 24 HB3 LEU 24 11.182 5.133 0.183 193 HG LEU 24 HG LEU 24 10.926 2.751 -1.649 194 1HD1 LEU 24 HD11 LEU 24 10.571 3.085 1.324 195 2HD1 LEU 24 HD12 LEU 24 10.301 1.598 0.413 196 3HD1 LEU 24 HD13 LEU 24 11.921 2.287 0.516 197 1HD2 LEU 24 HD21 LEU 24 8.764 4.144 -0.089 198 2HD2 LEU 24 HD22 LEU 24 8.930 4.140 -1.845 199 3HD2 LEU 24 HD23 LEU 24 8.604 2.634 -0.987 200 H SER 25 HN SER 25 13.095 6.338 -3.350 201 HA SER 25 HA SER 25 14.136 8.214 -1.395 202 1HB SER 25 HB2 SER 25 16.005 8.464 -3.127 203 2HB SER 25 HB3 SER 25 15.830 6.891 -2.353 204 HG SER 25 HG SER 25 15.617 6.106 -4.272 205 H THR 26 HN THR 26 11.844 8.429 -3.706 206 HA THR 26 HA THR 26 12.459 11.076 -4.689 207 HB THR 26 HB THR 26 10.182 11.034 -5.629 208 HG1 THR 26 HG1 THR 26 9.801 8.378 -4.787 209 1HG2 THR 26 HG21 THR 26 11.698 8.459 -6.079 210 2HG2 THR 26 HG22 THR 26 11.989 9.993 -6.903 211 3HG2 THR 26 HG23 THR 26 10.470 9.133 -7.151 212 H ASN 27 HN ASN 27 10.547 12.753 -4.359 213 HA ASN 27 HA ASN 27 10.522 13.416 -1.586 214 1HB ASN 27 HB2 ASN 27 10.350 14.939 -3.713 215 2HB ASN 27 HB3 ASN 27 8.625 14.639 -3.571 216 1HD2 ASN 27 HD21 ASN 27 8.674 14.575 -0.639 217 2HD2 ASN 27 HD22 ASN 27 8.893 16.219 -0.130 218 H LEU 28 HN LEU 28 8.592 11.378 -3.469 219 HA LEU 28 HA LEU 28 6.077 11.723 -2.201 220 1HB LEU 28 HB2 LEU 28 6.367 10.709 -4.422 221 2HB LEU 28 HB3 LEU 28 7.199 9.351 -3.694 222 HG LEU 28 HG LEU 28 5.129 8.728 -2.506 223 1HD1 LEU 28 HD11 LEU 28 3.858 10.939 -4.111 224 2HD1 LEU 28 HD12 LEU 28 3.021 9.777 -3.081 225 3HD1 LEU 28 HD13 LEU 28 4.122 10.956 -2.367 226 1HD2 LEU 28 HD21 LEU 28 5.665 7.741 -4.674 227 2HD2 LEU 28 HD22 LEU 28 3.925 7.913 -4.458 228 3HD2 LEU 28 HD23 LEU 28 4.802 9.047 -5.485 229 H PHE 29 HN PHE 29 8.975 10.187 -1.217 230 HA PHE 29 HA PHE 29 7.588 9.048 1.100 231 1HB PHE 29 HB2 PHE 29 9.702 7.563 -0.480 232 2HB PHE 29 HB3 PHE 29 8.947 7.007 1.009 233 HD1 PHE 29 HD1 PHE 29 8.703 7.190 -2.567 234 HD2 PHE 29 HD2 PHE 29 6.498 6.461 0.995 235 HE1 PHE 29 HE1 PHE 29 6.957 6.073 -3.884 236 HE2 PHE 29 HE2 PHE 29 4.743 5.343 -0.316 237 HZ PHE 29 HZ PHE 29 4.971 5.145 -2.757 238 H HIS 30 HN HIS 30 10.308 10.486 -0.395 239 HA HIS 30 HA HIS 30 12.275 11.305 0.274 240 1HB HIS 30 HB2 HIS 30 12.197 12.838 2.151 241 2HB HIS 30 HB3 HIS 30 10.775 12.997 1.148 242 HD1 HIS 30 HD1 HIS 30 11.868 11.826 4.556 243 HD2 HIS 30 HD2 HIS 30 8.378 12.507 2.405 244 HE1 HIS 30 HE1 HIS 30 10.009 11.743 6.245 245 HE2 HIS 30 HE2 HIS 30 7.895 12.066 4.919 246 H CYS 31 HN CYS 31 12.295 8.671 0.630 247 HA CYS 31 HA CYS 31 13.306 6.935 1.652 248 1HB CYS 31 HB2 CYS 31 14.954 9.041 3.069 249 2HB CYS 31 HB3 CYS 31 15.371 7.348 2.857 250 H LYS 32 HN LYS 32 11.034 7.001 2.700 251 HA LYS 32 HA LYS 32 10.994 7.406 5.538 252 1HB LYS 32 HB2 LYS 32 8.788 6.520 5.485 253 2HB LYS 32 HB3 LYS 32 8.967 7.473 4.021 254 1HG LYS 32 HG2 LYS 32 9.520 5.272 2.856 255 2HG LYS 32 HG3 LYS 32 8.913 4.491 4.314 256 1HD LYS 32 HD2 LYS 32 7.375 6.423 2.584 257 2HD LYS 32 HD3 LYS 32 7.179 4.670 2.598 258 1HE LYS 32 HE2 LYS 32 6.503 4.778 4.954 259 2HE LYS 32 HE3 LYS 32 6.689 6.530 4.920 260 1HZ LYS 32 HZ1 LYS 32 4.385 5.887 4.641 261 2HZ LYS 32 HZ2 LYS 32 4.779 4.967 3.270 262 3HZ LYS 32 HZ3 LYS 32 4.961 6.650 3.242 263 H ASP 33 HN ASP 33 10.876 5.728 7.132 264 HA ASP 33 HA ASP 33 12.959 3.899 6.928 265 1HB ASP 33 HB2 ASP 33 10.619 3.885 8.839 266 2HB ASP 33 HB3 ASP 33 12.076 2.915 9.029 267 H LYS 34 HN LYS 34 9.464 3.328 6.583 268 HA LYS 34 HA LYS 34 10.049 1.110 4.848 269 1HB LYS 34 HB2 LYS 34 8.688 -0.530 6.105 270 2HB LYS 34 HB3 LYS 34 10.142 -0.052 6.959 271 1HG LYS 34 HG2 LYS 34 8.708 0.078 8.693 272 2HG LYS 34 HG3 LYS 34 8.430 1.692 8.040 273 1HD LYS 34 HD2 LYS 34 6.309 0.641 8.505 274 2HD LYS 34 HD3 LYS 34 6.508 0.794 6.757 275 1HE LYS 34 HE2 LYS 34 7.194 -1.541 6.621 276 2HE LYS 34 HE3 LYS 34 7.049 -1.699 8.370 277 1HZ LYS 34 HZ1 LYS 34 4.836 -1.145 6.469 278 2HZ LYS 34 HZ2 LYS 34 4.671 -1.192 8.155 279 3HZ LYS 34 HZ3 LYS 34 5.109 -2.591 7.305 280 H ASN 35 HN ASN 35 8.270 0.391 3.627 281 HA ASN 35 HA ASN 35 5.728 1.774 3.915 282 1HB ASN 35 HB2 ASN 35 7.177 3.276 2.503 283 2HB ASN 35 HB3 ASN 35 7.260 1.980 1.319 284 1HD2 ASN 35 HD21 ASN 35 5.495 1.523 0.066 285 2HD2 ASN 35 HD22 ASN 35 4.099 2.545 -0.013 286 H THR 36 HN THR 36 4.107 0.439 3.367 287 HA THR 36 HA THR 36 4.841 -2.127 2.161 288 HB THR 36 HB THR 36 2.206 -1.407 3.447 289 HG1 THR 36 HG1 THR 36 4.561 -2.506 4.670 290 1HG2 THR 36 HG21 THR 36 2.221 -3.467 2.121 291 2HG2 THR 36 HG22 THR 36 2.063 -3.827 3.839 292 3HG2 THR 36 HG23 THR 36 3.613 -4.053 3.029 293 H PHE 37 HN PHE 37 4.508 -2.397 0.053 294 HA PHE 37 HA PHE 37 2.428 -0.823 -1.297 295 1HB PHE 37 HB2 PHE 37 4.704 -2.457 -2.448 296 2HB PHE 37 HB3 PHE 37 3.525 -1.566 -3.397 297 HD1 PHE 37 HD1 PHE 37 6.359 -1.271 -1.086 298 HD2 PHE 37 HD2 PHE 37 3.727 0.794 -3.722 299 HE1 PHE 37 HE1 PHE 37 7.837 0.692 -1.024 300 HE2 PHE 37 HE2 PHE 37 5.205 2.753 -3.664 301 HZ PHE 37 HZ PHE 37 7.264 2.694 -2.320 302 H ILE 38 HN ILE 38 1.104 -1.881 -2.882 303 HA ILE 38 HA ILE 38 0.495 -4.688 -2.217 304 HB ILE 38 HB ILE 38 -1.439 -2.515 -3.062 305 1HG1 ILE 38 HG12 ILE 38 -1.205 -3.822 -0.347 306 2HG1 ILE 38 HG13 ILE 38 -0.451 -2.281 -0.744 307 1HG2 ILE 38 HG21 ILE 38 -1.986 -5.322 -2.102 308 2HG2 ILE 38 HG22 ILE 38 -3.190 -4.118 -2.565 309 3HG2 ILE 38 HG23 ILE 38 -2.090 -4.778 -3.776 310 1HD1 ILE 38 HD11 ILE 38 -3.397 -2.881 -0.800 311 2HD1 ILE 38 HD12 ILE 38 -2.538 -1.948 0.426 312 3HD1 ILE 38 HD13 ILE 38 -2.652 -1.339 -1.225 313 H TYR 39 HN TYR 39 0.917 -5.998 -3.904 314 HA TYR 39 HA TYR 39 0.951 -4.960 -6.603 315 1HB TYR 39 HB2 TYR 39 2.607 -6.636 -6.106 316 2HB TYR 39 HB3 TYR 39 1.381 -7.748 -5.513 317 HD1 TYR 39 HD1 TYR 39 2.504 -5.988 -8.594 318 HD2 TYR 39 HD2 TYR 39 0.403 -9.312 -6.971 319 HE1 TYR 39 HE1 TYR 39 2.338 -6.969 -10.839 320 HE2 TYR 39 HE2 TYR 39 0.229 -10.301 -9.217 321 HH TYR 39 HH TYR 39 0.279 -9.554 -11.577 322 H SER 40 HN SER 40 -1.075 -4.295 -6.958 323 HA SER 40 HA SER 40 -2.956 -6.186 -7.926 324 1HB SER 40 HB2 SER 40 -3.581 -4.760 -5.325 325 2HB SER 40 HB3 SER 40 -4.836 -5.408 -6.373 326 HG SER 40 HG SER 40 -2.772 -7.142 -5.704 327 H ARG 41 HN ARG 41 -4.744 -5.037 -9.004 328 HA ARG 41 HA ARG 41 -3.886 -2.475 -9.941 329 1HB ARG 41 HB2 ARG 41 -6.549 -3.821 -10.411 330 2HB ARG 41 HB3 ARG 41 -5.899 -2.457 -11.304 331 1HG ARG 41 HG2 ARG 41 -4.959 -5.295 -11.320 332 2HG ARG 41 HG3 ARG 41 -5.574 -4.336 -12.665 333 1HD ARG 41 HD2 ARG 41 -3.605 -2.885 -12.520 334 2HD ARG 41 HD3 ARG 41 -2.992 -3.856 -11.182 335 HE ARG 41 HE ARG 41 -2.811 -4.445 -13.951 336 1HH1 ARG 41 HH12 ARG 41 -3.028 -5.893 -10.772 337 2HH1 ARG 41 HH11 ARG 41 -2.394 -7.426 -11.270 338 1HH2 ARG 41 HH22 ARG 41 -1.944 -6.469 -14.618 339 2HH2 ARG 41 HH21 ARG 41 -1.752 -7.747 -13.450 340 HA PRO 42 HA PRO 42 -5.720 0.162 -7.023 341 1HB PRO 42 HB2 PRO 42 -6.816 2.107 -8.665 342 2HB PRO 42 HB3 PRO 42 -5.134 2.048 -8.135 343 1HG PRO 42 HG2 PRO 42 -6.324 1.284 -10.734 344 2HG PRO 42 HG3 PRO 42 -4.719 1.928 -10.379 345 1HD PRO 42 HD2 PRO 42 -5.227 -0.696 -10.974 346 2HD PRO 42 HD3 PRO 42 -3.840 -0.159 -10.009 347 H GLU 43 HN GLU 43 -7.729 -0.837 -9.741 348 HA GLU 43 HA GLU 43 -10.168 0.068 -8.598 349 1HB GLU 43 HB2 GLU 43 -9.593 -1.876 -10.823 350 2HB GLU 43 HB3 GLU 43 -11.208 -1.366 -10.366 351 1HG GLU 43 HG2 GLU 43 -10.662 0.937 -10.883 352 2HG GLU 43 HG3 GLU 43 -9.007 0.469 -11.272 353 HA PRO 44 HA PRO 44 -10.648 -4.696 -7.341 354 1HB PRO 44 HB2 PRO 44 -7.832 -5.246 -6.951 355 2HB PRO 44 HB3 PRO 44 -9.093 -6.296 -7.544 356 1HG PRO 44 HG2 PRO 44 -7.211 -5.192 -9.144 357 2HG PRO 44 HG3 PRO 44 -8.839 -5.626 -9.696 358 1HD PRO 44 HD2 PRO 44 -7.675 -2.998 -9.181 359 2HD PRO 44 HD3 PRO 44 -9.041 -3.423 -10.207 360 H VAL 45 HN VAL 45 -8.148 -2.481 -6.273 361 HA VAL 45 HA VAL 45 -8.412 -3.323 -3.507 362 HB VAL 45 HB VAL 45 -6.751 -1.120 -4.757 363 1HG1 VAL 45 HG11 VAL 45 -7.296 -0.558 -2.450 364 2HG1 VAL 45 HG12 VAL 45 -6.736 -2.145 -1.920 365 3HG1 VAL 45 HG13 VAL 45 -5.592 -0.989 -2.605 366 1HG2 VAL 45 HG21 VAL 45 -5.999 -3.315 -5.414 367 2HG2 VAL 45 HG22 VAL 45 -4.861 -2.619 -4.259 368 3HG2 VAL 45 HG23 VAL 45 -6.008 -3.854 -3.734 369 H LYS 46 HN LYS 46 -9.353 -0.660 -5.594 370 HA LYS 46 HA LYS 46 -10.609 0.896 -3.576 371 1HB LYS 46 HB2 LYS 46 -9.988 1.620 -5.939 372 2HB LYS 46 HB3 LYS 46 -11.413 0.745 -6.478 373 1HG LYS 46 HG2 LYS 46 -12.798 2.179 -5.022 374 2HG LYS 46 HG3 LYS 46 -11.347 3.098 -4.606 375 1HD LYS 46 HD2 LYS 46 -11.026 3.621 -6.981 376 2HD LYS 46 HD3 LYS 46 -12.511 2.752 -7.366 377 1HE LYS 46 HE2 LYS 46 -13.632 4.343 -5.702 378 2HE LYS 46 HE3 LYS 46 -12.171 5.309 -5.834 379 1HZ LYS 46 HZ1 LYS 46 -12.541 5.635 -8.134 380 2HZ LYS 46 HZ2 LYS 46 -14.023 5.946 -7.364 381 3HZ LYS 46 HZ3 LYS 46 -13.782 4.482 -8.179 382 H ALA 47 HN ALA 47 -11.443 -1.891 -5.429 383 HA ALA 47 HA ALA 47 -14.221 -1.976 -5.044 384 1HB ALA 47 HB1 ALA 47 -13.988 -4.393 -5.551 385 2HB ALA 47 HB2 ALA 47 -13.141 -3.362 -6.703 386 3HB ALA 47 HB3 ALA 47 -12.233 -4.215 -5.453 387 H ILE 48 HN ILE 48 -11.579 -2.699 -2.926 388 HA ILE 48 HA ILE 48 -12.965 -4.273 -1.031 389 HB ILE 48 HB ILE 48 -10.665 -2.372 -0.514 390 1HG1 ILE 48 HG12 ILE 48 -10.575 -5.321 -1.186 391 2HG1 ILE 48 HG13 ILE 48 -10.275 -4.041 -2.357 392 1HG2 ILE 48 HG21 ILE 48 -11.615 -4.813 0.986 393 2HG2 ILE 48 HG22 ILE 48 -10.182 -3.857 1.369 394 3HG2 ILE 48 HG23 ILE 48 -11.785 -3.137 1.513 395 1HD1 ILE 48 HD11 ILE 48 -8.377 -3.283 -1.006 396 2HD1 ILE 48 HD12 ILE 48 -8.668 -4.610 0.117 397 3HD1 ILE 48 HD13 ILE 48 -8.198 -4.952 -1.547 398 H CYS 49 HN CYS 49 -12.680 -0.842 -1.622 399 HA CYS 49 HA CYS 49 -14.291 -0.227 0.743 400 1HB CYS 49 HB2 CYS 49 -12.756 1.549 -1.164 401 2HB CYS 49 HB3 CYS 49 -13.632 2.112 0.255 402 H LYS 50 HN LYS 50 -15.004 -1.258 -2.151 403 HA LYS 50 HA LYS 50 -16.657 0.644 -3.370 404 1HB LYS 50 HB2 LYS 50 -15.977 -1.301 -4.588 405 2HB LYS 50 HB3 LYS 50 -16.695 -2.372 -3.397 406 1HG LYS 50 HG2 LYS 50 -18.920 -1.623 -4.052 407 2HG LYS 50 HG3 LYS 50 -18.205 -0.530 -5.240 408 1HD LYS 50 HD2 LYS 50 -17.671 -3.489 -5.260 409 2HD LYS 50 HD3 LYS 50 -19.057 -2.783 -6.091 410 1HE LYS 50 HE2 LYS 50 -16.240 -1.848 -6.563 411 2HE LYS 50 HE3 LYS 50 -16.961 -3.175 -7.473 412 1HZ LYS 50 HZ1 LYS 50 -18.627 -1.728 -8.318 413 2HZ LYS 50 HZ2 LYS 50 -17.134 -0.959 -8.563 414 3HZ LYS 50 HZ3 LYS 50 -18.154 -0.458 -7.301 415 H GLY 51 HN GLY 51 -18.314 1.635 -2.478 416 1HA GLY 51 HA1 GLY 51 -20.593 1.635 -1.853 417 2HA GLY 51 HA2 GLY 51 -20.390 0.021 -1.195 418 H ILE 52 HN ILE 52 -17.781 1.749 -0.151 419 HA ILE 52 HA ILE 52 -19.109 2.239 2.427 420 HB ILE 52 HB ILE 52 -16.132 2.146 1.965 421 1HG1 ILE 52 HG12 ILE 52 -17.058 0.005 1.211 422 2HG1 ILE 52 HG13 ILE 52 -16.180 -0.194 2.721 423 1HG2 ILE 52 HG21 ILE 52 -17.842 1.778 4.419 424 2HG2 ILE 52 HG22 ILE 52 -16.084 1.636 4.369 425 3HG2 ILE 52 HG23 ILE 52 -16.854 3.186 4.030 426 1HD1 ILE 52 HD11 ILE 52 -19.165 -0.053 2.406 427 2HD1 ILE 52 HD12 ILE 52 -18.210 -1.499 2.728 428 3HD1 ILE 52 HD13 ILE 52 -18.304 -0.217 3.937 429 H ILE 53 HN ILE 53 -19.932 4.308 2.107 430 HA ILE 53 HA ILE 53 -18.252 6.393 1.052 431 HB ILE 53 HB ILE 53 -21.081 6.358 2.086 432 1HG1 ILE 53 HG12 ILE 53 -21.597 7.024 -0.227 433 2HG1 ILE 53 HG13 ILE 53 -19.893 6.963 -0.634 434 1HG2 ILE 53 HG21 ILE 53 -21.254 8.724 1.449 435 2HG2 ILE 53 HG22 ILE 53 -20.114 8.478 2.774 436 3HG2 ILE 53 HG23 ILE 53 -19.517 8.759 1.137 437 1HD1 ILE 53 HD11 ILE 53 -21.005 5.007 -1.460 438 2HD1 ILE 53 HD12 ILE 53 -19.920 4.541 -0.150 439 3HD1 ILE 53 HD13 ILE 53 -21.658 4.652 0.141 440 H ALA 54 HN ALA 54 -19.690 5.591 4.197 441 HA ALA 54 HA ALA 54 -18.451 7.816 5.526 442 1HB ALA 54 HB1 ALA 54 -20.571 6.914 6.330 443 2HB ALA 54 HB2 ALA 54 -19.790 5.368 6.671 444 3HB ALA 54 HB3 ALA 54 -19.326 6.807 7.576 445 H SER 55 HN SER 55 -16.600 7.868 6.684 446 HA SER 55 HA SER 55 -14.467 6.238 6.046 447 1HB SER 55 HB2 SER 55 -14.458 8.537 7.174 448 2HB SER 55 HB3 SER 55 -14.694 7.674 8.693 449 HG SER 55 HG SER 55 -12.469 7.811 7.037 450 H LYS 56 HN LYS 56 -14.293 4.131 6.367 451 HA LYS 56 HA LYS 56 -14.901 3.000 9.000 452 1HB LYS 56 HB2 LYS 56 -16.936 2.738 7.676 453 2HB LYS 56 HB3 LYS 56 -16.021 1.995 6.375 454 1HG LYS 56 HG2 LYS 56 -15.428 0.157 7.971 455 2HG LYS 56 HG3 LYS 56 -16.582 0.871 9.104 456 1HD LYS 56 HD2 LYS 56 -18.368 0.614 7.467 457 2HD LYS 56 HD3 LYS 56 -17.223 -0.051 6.302 458 1HE LYS 56 HE2 LYS 56 -16.764 -1.892 7.930 459 2HE LYS 56 HE3 LYS 56 -18.078 -1.262 8.923 460 1HZ LYS 56 HZ1 LYS 56 -18.894 -3.040 7.556 461 2HZ LYS 56 HZ2 LYS 56 -18.297 -2.307 6.152 462 3HZ LYS 56 HZ3 LYS 56 -19.573 -1.587 7.003 463 H ASN 57 HN ASN 57 -13.175 1.858 9.616 464 HA ASN 57 HA ASN 57 -11.178 0.918 7.803 465 1HB ASN 57 HB2 ASN 57 -11.696 0.181 10.697 466 2HB ASN 57 HB3 ASN 57 -10.279 -0.312 9.779 467 1HD2 ASN 57 HD21 ASN 57 -10.414 1.219 12.212 468 2HD2 ASN 57 HD22 ASN 57 -9.661 2.746 11.874 469 H VAL 58 HN VAL 58 -11.399 -0.781 6.478 470 HA VAL 58 HA VAL 58 -13.036 -3.033 7.442 471 HB VAL 58 HB VAL 58 -13.817 -3.515 5.266 472 1HG1 VAL 58 HG11 VAL 58 -14.984 -1.459 4.587 473 2HG1 VAL 58 HG12 VAL 58 -15.064 -1.761 6.324 474 3HG1 VAL 58 HG13 VAL 58 -13.956 -0.545 5.689 475 1HG2 VAL 58 HG21 VAL 58 -13.139 -2.332 3.252 476 2HG2 VAL 58 HG22 VAL 58 -11.990 -1.381 4.194 477 3HG2 VAL 58 HG23 VAL 58 -11.764 -3.120 4.029 478 H LEU 59 HN LEU 59 -12.128 -4.976 7.450 479 HA LEU 59 HA LEU 59 -9.380 -5.235 6.535 480 1HB LEU 59 HB2 LEU 59 -10.162 -5.827 8.885 481 2HB LEU 59 HB3 LEU 59 -11.021 -7.168 8.170 482 HG LEU 59 HG LEU 59 -8.707 -7.556 9.256 483 1HD1 LEU 59 HD11 LEU 59 -9.337 -8.639 6.532 484 2HD1 LEU 59 HD12 LEU 59 -8.225 -9.354 7.701 485 3HD1 LEU 59 HD13 LEU 59 -9.946 -9.258 8.068 486 1HD2 LEU 59 HD21 LEU 59 -6.829 -7.343 7.739 487 2HD2 LEU 59 HD22 LEU 59 -7.873 -6.576 6.542 488 3HD2 LEU 59 HD23 LEU 59 -7.548 -5.767 8.076 489 H THR 60 HN THR 60 -8.787 -6.682 4.942 490 HA THR 60 HA THR 60 -10.801 -7.173 2.998 491 HB THR 60 HB THR 60 -8.970 -8.276 1.700 492 HG1 THR 60 HG1 THR 60 -7.345 -8.959 2.856 493 1HG2 THR 60 HG21 THR 60 -7.657 -6.219 1.382 494 2HG2 THR 60 HG22 THR 60 -8.362 -5.554 2.856 495 3HG2 THR 60 HG23 THR 60 -9.389 -5.893 1.463 496 H THR 61 HN THR 61 -11.323 -9.161 2.006 497 HA THR 61 HA THR 61 -11.937 -11.181 3.951 498 HB THR 61 HB THR 61 -13.057 -12.213 1.873 499 HG1 THR 61 HG1 THR 61 -12.433 -11.225 0.089 500 1HG2 THR 61 HG21 THR 61 -14.265 -10.966 3.619 501 2HG2 THR 61 HG22 THR 61 -14.930 -10.638 2.017 502 3HG2 THR 61 HG23 THR 61 -13.875 -9.454 2.797 503 H SER 62 HN SER 62 -9.503 -10.661 1.652 504 HA SER 62 HA SER 62 -8.557 -13.411 1.895 505 1HB SER 62 HB2 SER 62 -7.979 -13.271 -0.613 506 2HB SER 62 HB3 SER 62 -9.662 -13.580 -0.179 507 HG SER 62 HG SER 62 -10.220 -11.706 -0.990 508 H GLU 63 HN GLU 63 -6.269 -13.630 1.050 509 HA GLU 63 HA GLU 63 -4.723 -11.362 1.972 510 1HB GLU 63 HB2 GLU 63 -3.726 -14.012 0.911 511 2HB GLU 63 HB3 GLU 63 -2.775 -12.796 1.730 512 1HG GLU 63 HG2 GLU 63 -3.188 -14.521 3.274 513 2HG GLU 63 HG3 GLU 63 -4.177 -13.149 3.754 514 H PHE 64 HN PHE 64 -3.561 -10.017 0.738 515 HA PHE 64 HA PHE 64 -3.682 -10.420 -2.172 516 1HB PHE 64 HB2 PHE 64 -3.435 -7.918 -0.511 517 2HB PHE 64 HB3 PHE 64 -3.132 -7.934 -2.240 518 HD1 PHE 64 HD1 PHE 64 -4.886 -7.427 -3.667 519 HD2 PHE 64 HD2 PHE 64 -5.742 -8.957 0.212 520 HE1 PHE 64 HE1 PHE 64 -7.290 -7.126 -4.083 521 HE2 PHE 64 HE2 PHE 64 -8.149 -8.647 -0.197 522 HZ PHE 64 HZ PHE 64 -8.914 -7.701 -2.382 523 H TYR 65 HN TYR 65 -1.770 -9.493 -3.350 524 HA TYR 65 HA TYR 65 0.608 -10.657 -2.190 525 1HB TYR 65 HB2 TYR 65 0.293 -9.255 -4.856 526 2HB TYR 65 HB3 TYR 65 1.618 -10.307 -4.367 527 HD1 TYR 65 HD1 TYR 65 -1.251 -10.171 -6.281 528 HD2 TYR 65 HD2 TYR 65 0.725 -12.722 -3.509 529 HE1 TYR 65 HE1 TYR 65 -2.462 -12.100 -7.201 530 HE2 TYR 65 HE2 TYR 65 -0.480 -14.661 -4.424 531 HH TYR 65 HH TYR 65 -2.172 -14.557 -7.345 532 H LEU 66 HN LEU 66 1.443 -9.381 -0.618 533 HA LEU 66 HA LEU 66 1.614 -6.502 -1.117 534 1HB LEU 66 HB2 LEU 66 2.127 -7.991 1.451 535 2HB LEU 66 HB3 LEU 66 1.961 -6.258 1.251 536 HG LEU 66 HG LEU 66 -0.233 -8.271 0.798 537 1HD1 LEU 66 HD11 LEU 66 0.346 -8.093 3.148 538 2HD1 LEU 66 HD12 LEU 66 0.225 -6.336 3.059 539 3HD1 LEU 66 HD13 LEU 66 -1.215 -7.332 2.835 540 1HD2 LEU 66 HD21 LEU 66 -0.492 -6.327 -0.618 541 2HD2 LEU 66 HD22 LEU 66 -1.689 -6.300 0.675 542 3HD2 LEU 66 HD23 LEU 66 -0.265 -5.259 0.768 543 H SER 67 HN SER 67 3.527 -5.385 -0.982 544 HA SER 67 HA SER 67 5.976 -6.962 -0.600 545 1HB SER 67 HB2 SER 67 5.575 -4.745 -2.627 546 2HB SER 67 HB3 SER 67 7.043 -5.694 -2.392 547 HG SER 67 HG SER 67 6.184 -6.944 -3.858 548 H ASP 68 HN ASP 68 6.849 -6.254 1.232 549 HA ASP 68 HA ASP 68 6.270 -3.519 2.108 550 1HB ASP 68 HB2 ASP 68 5.764 -5.430 3.629 551 2HB ASP 68 HB3 ASP 68 7.485 -5.805 3.677 552 H CYS 69 HN CYS 69 7.726 -2.033 1.669 553 HA CYS 69 HA CYS 69 10.508 -2.787 1.281 554 1HB CYS 69 HB2 CYS 69 9.017 -0.190 0.898 555 2HB CYS 69 HB3 CYS 69 10.749 -0.373 0.627 556 H ASN 70 HN ASN 70 11.927 -2.690 2.876 557 HA ASN 70 HA ASN 70 11.449 -0.797 5.068 558 1HB ASN 70 HB2 ASN 70 12.063 -2.535 6.712 559 2HB ASN 70 HB3 ASN 70 10.593 -2.937 5.835 560 1HD2 ASN 70 HD21 ASN 70 10.630 -4.605 4.320 561 2HD2 ASN 70 HD22 ASN 70 11.888 -5.791 4.303 562 H VAL 71 HN VAL 71 13.280 -0.178 6.244 563 HA VAL 71 HA VAL 71 15.568 0.113 4.562 564 HB VAL 71 HB VAL 71 14.718 1.934 5.988 565 1HG1 VAL 71 HG11 VAL 71 15.772 0.290 8.278 566 2HG1 VAL 71 HG12 VAL 71 15.210 1.959 8.379 567 3HG1 VAL 71 HG13 VAL 71 14.082 0.674 7.949 568 1HG2 VAL 71 HG21 VAL 71 17.558 1.105 6.572 569 2HG2 VAL 71 HG22 VAL 71 17.001 2.043 5.187 570 3HG2 VAL 71 HG23 VAL 71 16.899 2.723 6.811 571 H THR 72 HN THR 72 17.626 -0.567 4.861 572 HA THR 72 HA THR 72 17.915 -3.004 6.449 573 HB THR 72 HB THR 72 20.025 -3.261 5.058 574 HG1 THR 72 HG1 THR 72 18.830 -1.215 3.463 575 1HG2 THR 72 HG21 THR 72 17.983 -4.471 4.509 576 2HG2 THR 72 HG22 THR 72 18.801 -3.953 3.034 577 3HG2 THR 72 HG23 THR 72 17.381 -3.081 3.609 578 H SER 73 HN SER 73 20.962 -2.269 5.958 579 HA SER 73 HA SER 73 21.313 -1.207 8.628 580 1HB SER 73 HB2 SER 73 23.740 -1.631 8.162 581 2HB SER 73 HB3 SER 73 22.726 -3.065 7.992 582 HG SER 73 HG SER 73 24.129 -1.624 6.076 583 H ARG 74 HN ARG 74 21.402 -0.106 5.363 584 HA ARG 74 HA ARG 74 22.650 2.395 6.203 585 1HB ARG 74 HB2 ARG 74 23.937 1.432 4.479 586 2HB ARG 74 HB3 ARG 74 22.510 0.966 3.562 587 1HG ARG 74 HG2 ARG 74 22.047 3.261 3.063 588 2HG ARG 74 HG3 ARG 74 23.425 3.790 4.033 589 1HD ARG 74 HD2 ARG 74 24.927 2.542 2.533 590 2HD ARG 74 HD3 ARG 74 23.539 2.069 1.554 591 HE ARG 74 HE ARG 74 23.461 4.821 1.676 592 1HH1 ARG 74 HH12 ARG 74 25.652 2.355 0.488 593 2HH1 ARG 74 HH11 ARG 74 26.402 3.409 -0.682 594 1HH2 ARG 74 HH22 ARG 74 24.405 6.187 0.132 595 2HH2 ARG 74 HH21 ARG 74 25.682 5.600 -0.888 596 HA PRO 75 HA PRO 75 18.685 4.301 5.973 597 1HB PRO 75 HB2 PRO 75 19.519 6.878 5.492 598 2HB PRO 75 HB3 PRO 75 19.493 6.115 7.086 599 1HG PRO 75 HG2 PRO 75 21.777 6.497 5.198 600 2HG PRO 75 HG3 PRO 75 21.743 6.644 6.965 601 1HD PRO 75 HD2 PRO 75 22.755 4.478 5.728 602 2HD PRO 75 HD3 PRO 75 21.909 4.363 7.283 603 H CYS 76 HN CYS 76 17.227 4.561 4.446 604 HA CYS 76 HA CYS 76 16.183 4.968 2.503 605 1HB CYS 76 HB2 CYS 76 17.420 7.146 2.580 606 2HB CYS 76 HB3 CYS 76 18.656 6.423 1.564 607 H LYS 77 HN LYS 77 18.645 2.912 2.856 608 HA LYS 77 HA LYS 77 18.298 1.855 0.133 609 1HB LYS 77 HB2 LYS 77 20.340 1.211 2.265 610 2HB LYS 77 HB3 LYS 77 20.120 0.224 0.825 611 1HG LYS 77 HG2 LYS 77 20.828 3.151 0.814 612 2HG LYS 77 HG3 LYS 77 21.979 1.828 0.629 613 1HD LYS 77 HD2 LYS 77 19.645 2.381 -1.207 614 2HD LYS 77 HD3 LYS 77 21.322 2.824 -1.534 615 1HE LYS 77 HE2 LYS 77 21.943 0.442 -1.425 616 2HE LYS 77 HE3 LYS 77 20.250 0.026 -1.166 617 1HZ LYS 77 HZ1 LYS 77 20.929 -0.242 -3.483 618 2HZ LYS 77 HZ2 LYS 77 21.328 1.405 -3.571 619 3HZ LYS 77 HZ3 LYS 77 19.715 0.936 -3.332 620 H TYR 78 HN TYR 78 16.920 0.199 -0.140 621 HA TYR 78 HA TYR 78 15.803 -0.941 2.327 622 1HB TYR 78 HB2 TYR 78 14.236 -0.022 -0.085 623 2HB TYR 78 HB3 TYR 78 13.569 -0.695 1.402 624 HD1 TYR 78 HD1 TYR 78 14.413 0.613 3.603 625 HD2 TYR 78 HD2 TYR 78 14.179 2.241 -0.312 626 HE1 TYR 78 HE1 TYR 78 14.251 2.878 4.557 627 HE2 TYR 78 HE2 TYR 78 14.024 4.500 0.621 628 HH TYR 78 HH TYR 78 14.908 5.417 3.357 629 H LYS 79 HN LYS 79 14.905 -2.937 2.255 630 HA LYS 79 HA LYS 79 15.511 -4.563 -0.120 631 1HB LYS 79 HB2 LYS 79 16.632 -5.363 1.894 632 2HB LYS 79 HB3 LYS 79 15.112 -5.352 2.773 633 1HG LYS 79 HG2 LYS 79 14.255 -7.146 1.475 634 2HG LYS 79 HG3 LYS 79 15.639 -7.092 0.383 635 1HD LYS 79 HD2 LYS 79 15.745 -7.761 3.322 636 2HD LYS 79 HD3 LYS 79 15.801 -8.933 2.002 637 1HE LYS 79 HE2 LYS 79 17.802 -6.739 2.525 638 2HE LYS 79 HE3 LYS 79 18.037 -8.457 2.842 639 1HZ LYS 79 HZ1 LYS 79 19.085 -7.818 0.779 640 2HZ LYS 79 HZ2 LYS 79 17.620 -7.217 0.168 641 3HZ LYS 79 HZ3 LYS 79 17.800 -8.879 0.460 642 H LEU 80 HN LEU 80 13.885 -5.882 -0.969 643 HA LEU 80 HA LEU 80 11.194 -5.000 -0.343 644 1HB LEU 80 HB2 LEU 80 12.154 -5.306 -2.703 645 2HB LEU 80 HB3 LEU 80 11.973 -7.025 -2.427 646 HG LEU 80 HG LEU 80 10.118 -5.733 -3.691 647 1HD1 LEU 80 HD11 LEU 80 8.411 -7.227 -2.824 648 2HD1 LEU 80 HD12 LEU 80 9.945 -8.066 -3.060 649 3HD1 LEU 80 HD13 LEU 80 9.439 -7.596 -1.438 650 1HD2 LEU 80 HD21 LEU 80 8.376 -4.830 -2.276 651 2HD2 LEU 80 HD22 LEU 80 9.366 -5.131 -0.847 652 3HD2 LEU 80 HD23 LEU 80 9.887 -3.951 -2.047 653 H LYS 81 HN LYS 81 9.584 -6.289 0.406 654 HA LYS 81 HA LYS 81 10.384 -8.911 1.484 655 1HB LYS 81 HB2 LYS 81 10.516 -7.210 3.266 656 2HB LYS 81 HB3 LYS 81 8.852 -6.751 2.948 657 1HG LYS 81 HG2 LYS 81 8.133 -9.013 3.615 658 2HG LYS 81 HG3 LYS 81 9.810 -9.399 4.018 659 1HD LYS 81 HD2 LYS 81 9.834 -7.594 5.664 660 2HD LYS 81 HD3 LYS 81 8.171 -7.178 5.244 661 1HE LYS 81 HE2 LYS 81 8.170 -8.477 7.264 662 2HE LYS 81 HE3 LYS 81 7.467 -9.434 5.964 663 1HZ LYS 81 HZ1 LYS 81 9.561 -10.609 5.731 664 2HZ LYS 81 HZ2 LYS 81 8.991 -10.732 7.327 665 3HZ LYS 81 HZ3 LYS 81 10.259 -9.668 6.960 666 H LYS 82 HN LYS 82 9.175 -10.247 0.292 667 HA LYS 82 HA LYS 82 6.526 -9.486 -0.565 668 1HB LYS 82 HB2 LYS 82 8.012 -12.083 -0.963 669 2HB LYS 82 HB3 LYS 82 6.577 -11.557 -1.830 670 1HG LYS 82 HG2 LYS 82 7.899 -9.632 -2.699 671 2HG LYS 82 HG3 LYS 82 9.330 -10.364 -1.969 672 1HD LYS 82 HD2 LYS 82 8.981 -12.377 -3.316 673 2HD LYS 82 HD3 LYS 82 7.555 -11.635 -4.037 674 1HE LYS 82 HE2 LYS 82 9.365 -11.366 -5.574 675 2HE LYS 82 HE3 LYS 82 9.023 -9.789 -4.860 676 1HZ LYS 82 HZ1 LYS 82 11.345 -10.018 -4.833 677 2HZ LYS 82 HZ2 LYS 82 11.274 -11.614 -4.261 678 3HZ LYS 82 HZ3 LYS 82 10.864 -10.331 -3.235 679 H SER 83 HN SER 83 4.740 -9.906 0.535 680 HA SER 83 HA SER 83 4.530 -12.384 2.049 681 1HB SER 83 HB2 SER 83 3.965 -9.669 3.265 682 2HB SER 83 HB3 SER 83 3.605 -11.221 4.023 683 HG SER 83 HG SER 83 6.151 -11.236 3.252 684 H THR 84 HN THR 84 2.600 -13.305 1.742 685 HA THR 84 HA THR 84 0.497 -11.721 0.459 686 HB THR 84 HB THR 84 0.371 -14.690 0.971 687 HG1 THR 84 HG1 THR 84 2.166 -13.389 -0.595 688 1HG2 THR 84 HG21 THR 84 -1.673 -13.610 0.209 689 2HG2 THR 84 HG22 THR 84 -1.020 -14.644 -1.063 690 3HG2 THR 84 HG23 THR 84 -0.809 -12.895 -1.151 691 H ASN 85 HN ASN 85 -0.935 -10.792 1.771 692 HA ASN 85 HA ASN 85 -2.083 -12.216 3.995 693 1HB ASN 85 HB2 ASN 85 0.195 -10.942 4.673 694 2HB ASN 85 HB3 ASN 85 -0.951 -9.624 4.809 695 1HD2 ASN 85 HD21 ASN 85 0.589 -11.045 6.864 696 2HD2 ASN 85 HD22 ASN 85 -0.581 -11.641 7.998 697 H LYS 86 HN LYS 86 -3.856 -11.022 4.968 698 HA LYS 86 HA LYS 86 -5.270 -9.327 3.177 699 1HB LYS 86 HB2 LYS 86 -5.726 -9.788 6.127 700 2HB LYS 86 HB3 LYS 86 -6.887 -9.145 4.978 701 1HG LYS 86 HG2 LYS 86 -6.818 -11.329 3.784 702 2HG LYS 86 HG3 LYS 86 -5.802 -11.947 5.090 703 1HD LYS 86 HD2 LYS 86 -7.531 -11.481 6.697 704 2HD LYS 86 HD3 LYS 86 -8.521 -10.744 5.456 705 1HE LYS 86 HE2 LYS 86 -9.377 -12.924 5.854 706 2HE LYS 86 HE3 LYS 86 -8.552 -12.946 4.300 707 1HZ LYS 86 HZ1 LYS 86 -7.224 -13.802 6.799 708 2HZ LYS 86 HZ2 LYS 86 -6.742 -14.099 5.195 709 3HZ LYS 86 HZ3 LYS 86 -8.111 -14.873 5.827 710 H PHE 87 HN PHE 87 -6.142 -7.152 4.140 711 HA PHE 87 HA PHE 87 -4.423 -5.858 6.033 712 1HB PHE 87 HB2 PHE 87 -3.782 -3.967 4.543 713 2HB PHE 87 HB3 PHE 87 -3.028 -5.495 4.111 714 HD1 PHE 87 HD1 PHE 87 -3.471 -6.539 2.008 715 HD2 PHE 87 HD2 PHE 87 -5.562 -3.013 3.139 716 HE1 PHE 87 HE1 PHE 87 -4.296 -6.293 -0.297 717 HE2 PHE 87 HE2 PHE 87 -6.384 -2.762 0.836 718 HZ PHE 87 HZ PHE 87 -5.692 -4.359 -0.904 719 H CYS 88 HN CYS 88 -5.342 -4.065 6.972 720 HA CYS 88 HA CYS 88 -8.173 -3.702 6.312 721 1HB CYS 88 HB2 CYS 88 -7.165 -4.124 8.735 722 2HB CYS 88 HB3 CYS 88 -6.842 -2.398 8.658 723 H VAL 89 HN VAL 89 -8.766 -1.992 5.147 724 HA VAL 89 HA VAL 89 -6.976 0.346 5.115 725 HB VAL 89 HB VAL 89 -8.142 0.909 2.914 726 1HG1 VAL 89 HG11 VAL 89 -6.647 -0.554 1.625 727 2HG1 VAL 89 HG12 VAL 89 -5.842 0.164 3.021 728 3HG1 VAL 89 HG13 VAL 89 -6.364 -1.519 3.075 729 1HG2 VAL 89 HG21 VAL 89 -9.039 -1.025 1.659 730 2HG2 VAL 89 HG22 VAL 89 -8.917 -2.002 3.123 731 3HG2 VAL 89 HG23 VAL 89 -10.015 -0.622 3.073 732 H THR 90 HN THR 90 -7.827 2.360 5.444 733 HA THR 90 HA THR 90 -10.444 2.477 6.638 734 HB THR 90 HB THR 90 -8.618 4.783 5.928 735 HG1 THR 90 HG1 THR 90 -8.816 3.339 8.391 736 1HG2 THR 90 HG21 THR 90 -10.844 4.541 7.957 737 2HG2 THR 90 HG22 THR 90 -10.928 5.427 6.435 738 3HG2 THR 90 HG23 THR 90 -9.828 5.961 7.707 739 H CYS 91 HN CYS 91 -12.133 2.345 5.267 740 HA CYS 91 HA CYS 91 -11.881 3.421 2.576 741 1HB CYS 91 HB2 CYS 91 -14.043 1.774 3.886 742 2HB CYS 91 HB3 CYS 91 -14.017 2.237 2.185 743 H GLU 92 HN GLU 92 -12.733 5.265 1.918 744 HA GLU 92 HA GLU 92 -15.122 6.297 3.201 745 1HB GLU 92 HB2 GLU 92 -13.023 7.228 4.362 746 2HB GLU 92 HB3 GLU 92 -12.770 8.122 2.872 747 1HG GLU 92 HG2 GLU 92 -14.914 9.209 3.121 748 2HG GLU 92 HG3 GLU 92 -15.231 8.277 4.582 749 H ASN 93 HN ASN 93 -16.430 7.288 1.773 750 HA ASN 93 HA ASN 93 -17.320 7.815 -0.249 751 1HB ASN 93 HB2 ASN 93 -14.573 9.013 -0.560 752 2HB ASN 93 HB3 ASN 93 -15.797 9.143 -1.817 753 1HD2 ASN 93 HD21 ASN 93 -14.736 10.244 1.252 754 2HD2 ASN 93 HD22 ASN 93 -15.921 11.489 1.449 755 H GLN 94 HN GLN 94 -16.225 5.220 0.079 756 HA GLN 94 HA GLN 94 -16.118 3.325 -1.149 757 1HB GLN 94 HB2 GLN 94 -16.542 5.147 -3.518 758 2HB GLN 94 HB3 GLN 94 -16.622 3.391 -3.557 759 1HG GLN 94 HG2 GLN 94 -18.497 3.441 -1.999 760 2HG GLN 94 HG3 GLN 94 -18.416 5.201 -1.964 761 1HE2 GLN 94 HE21 GLN 94 -17.807 3.416 -4.869 762 2HE2 GLN 94 HE22 GLN 94 -19.265 3.862 -5.687 763 H ALA 95 HN ALA 95 -13.775 5.277 -0.758 764 HA ALA 95 HA ALA 95 -11.949 3.761 -2.472 765 1HB ALA 95 HB1 ALA 95 -12.337 5.923 -3.548 766 2HB ALA 95 HB2 ALA 95 -11.816 6.747 -2.079 767 3HB ALA 95 HB3 ALA 95 -10.672 5.763 -2.994 768 HA PRO 96 HA PRO 96 -9.570 3.281 1.310 769 1HB PRO 96 HB2 PRO 96 -7.350 2.911 -0.605 770 2HB PRO 96 HB3 PRO 96 -7.918 1.841 0.679 771 1HG PRO 96 HG2 PRO 96 -8.364 1.310 -1.919 772 2HG PRO 96 HG3 PRO 96 -9.521 0.876 -0.654 773 1HD PRO 96 HD2 PRO 96 -9.633 3.088 -2.633 774 2HD PRO 96 HD3 PRO 96 -10.948 2.129 -1.935 775 H VAL 97 HN VAL 97 -9.070 5.120 2.358 776 HA VAL 97 HA VAL 97 -7.441 7.112 0.931 777 HB VAL 97 HB VAL 97 -8.355 8.774 2.556 778 1HG1 VAL 97 HG11 VAL 97 -10.366 7.298 0.859 779 2HG1 VAL 97 HG12 VAL 97 -10.570 8.931 1.491 780 3HG1 VAL 97 HG13 VAL 97 -9.293 8.590 0.324 781 1HG2 VAL 97 HG21 VAL 97 -10.349 8.184 3.833 782 2HG2 VAL 97 HG22 VAL 97 -10.210 6.514 3.285 783 3HG2 VAL 97 HG23 VAL 97 -8.965 7.206 4.326 784 H HIS 98 HN HIS 98 -7.659 5.147 3.770 785 HA HIS 98 HA HIS 98 -4.999 6.097 4.585 786 1HB HIS 98 HB2 HIS 98 -7.391 5.646 6.373 787 2HB HIS 98 HB3 HIS 98 -5.750 5.633 6.988 788 HD1 HIS 98 HD1 HIS 98 -5.218 7.749 8.089 789 HD2 HIS 98 HD2 HIS 98 -7.770 8.316 4.854 790 HE1 HIS 98 HE1 HIS 98 -5.711 10.215 8.036 791 HE2 HIS 98 HE2 HIS 98 -7.428 10.493 6.216 792 H PHE 99 HN PHE 99 -3.676 4.484 5.526 793 HA PHE 99 HA PHE 99 -4.650 1.750 5.039 794 1HB PHE 99 HB2 PHE 99 -2.653 2.526 3.721 795 2HB PHE 99 HB3 PHE 99 -1.772 2.665 5.239 796 HD1 PHE 99 HD1 PHE 99 -0.639 0.851 6.101 797 HD2 PHE 99 HD2 PHE 99 -3.636 0.215 3.148 798 HE1 PHE 99 HE1 PHE 99 0.009 -1.516 5.959 799 HE2 PHE 99 HE2 PHE 99 -2.993 -2.156 3.003 800 HZ PHE 99 HZ PHE 99 -1.216 -3.035 4.384 801 H VAL 100 HN VAL 100 -4.980 0.486 6.751 802 HA VAL 100 HA VAL 100 -4.283 1.517 9.375 803 HB VAL 100 HB VAL 100 -5.919 -0.904 8.610 804 1HG1 VAL 100 HG11 VAL 100 -6.745 -0.776 10.938 805 2HG1 VAL 100 HG12 VAL 100 -5.032 -1.177 10.822 806 3HG1 VAL 100 HG13 VAL 100 -5.527 0.457 11.267 807 1HG2 VAL 100 HG21 VAL 100 -6.998 1.112 7.829 808 2HG2 VAL 100 HG22 VAL 100 -7.857 0.512 9.246 809 3HG2 VAL 100 HG23 VAL 100 -6.761 1.885 9.397 810 H GLY 101 HN GLY 101 -4.167 -1.797 8.017 811 1HA GLY 101 HA1 GLY 101 -1.395 -2.145 8.268 812 2HA GLY 101 HA2 GLY 101 -2.141 -2.711 9.752 813 H VAL 102 HN VAL 102 -0.745 -4.497 8.258 814 HA VAL 102 HA VAL 102 -2.641 -5.840 6.503 815 HB VAL 102 HB VAL 102 -0.937 -7.020 5.577 816 1HG1 VAL 102 HG11 VAL 102 0.485 -4.588 6.624 817 2HG1 VAL 102 HG12 VAL 102 0.996 -5.566 5.248 818 3HG1 VAL 102 HG13 VAL 102 -0.524 -4.672 5.180 819 1HG2 VAL 102 HG21 VAL 102 -0.165 -8.204 7.519 820 2HG2 VAL 102 HG22 VAL 102 1.222 -7.550 6.649 821 3HG2 VAL 102 HG23 VAL 102 0.653 -6.757 8.120 822 H GLY 103 HN GLY 103 -3.067 -8.096 6.664 823 1HA GLY 103 HA1 GLY 103 -3.402 -10.085 7.867 824 2HA GLY 103 HA2 GLY 103 -2.813 -9.287 9.322 825 H SER 104 HN SER 104 -4.183 -7.909 10.456 826 HA SER 104 HA SER 104 -6.901 -7.458 9.563 827 1HB SER 104 HB2 SER 104 -6.261 -8.954 12.126 828 2HB SER 104 HB3 SER 104 -7.841 -8.297 11.714 829 HG SER 104 HG SER 104 -6.763 -9.856 9.736 830 H CYS 105 HN CYS 105 -7.923 -5.782 10.913 831 HA CYS 105 HA CYS 105 -5.871 -4.035 11.996 832 1HB CYS 105 HB2 CYS 105 -7.913 -2.414 12.081 833 2HB CYS 105 HB3 CYS 105 -7.105 -2.779 10.561 Start of MODEL 13 1 1H MET 1 H1 MET 1 -1.445 14.873 2.779 2 2H MET 1 H2 MET 1 -3.047 15.110 3.287 3 3H MET 1 H3 MET 1 -2.274 16.289 2.353 4 HA MET 1 HA MET 1 -3.888 14.934 1.125 5 1HB MET 1 HB2 MET 1 -2.372 14.441 -0.799 6 2HB MET 1 HB3 MET 1 -2.212 16.065 -0.149 7 1HG MET 1 HG2 MET 1 -0.169 15.490 0.953 8 2HG MET 1 HG3 MET 1 -0.368 13.790 0.533 9 1HE MET 1 HE1 MET 1 0.226 17.418 -0.911 10 2HE MET 1 HE2 MET 1 0.321 17.069 -2.638 11 3HE MET 1 HE3 MET 1 -1.195 16.828 -1.771 12 H GLN 2 HN GLN 2 -4.741 13.166 2.125 13 HA GLN 2 HA GLN 2 -3.487 10.673 1.244 14 1HB GLN 2 HB2 GLN 2 -4.528 11.271 3.991 15 2HB GLN 2 HB3 GLN 2 -4.599 9.633 3.355 16 1HG GLN 2 HG2 GLN 2 -2.088 11.276 3.600 17 2HG GLN 2 HG3 GLN 2 -2.614 10.050 4.754 18 1HE2 GLN 2 HE21 GLN 2 -3.668 8.320 2.620 19 2HE2 GLN 2 HE22 GLN 2 -2.283 7.602 1.877 20 H ASP 3 HN ASP 3 -4.784 10.521 -0.459 21 HA ASP 3 HA ASP 3 -7.620 9.970 0.016 22 1HB ASP 3 HB2 ASP 3 -8.281 11.293 -1.911 23 2HB ASP 3 HB3 ASP 3 -7.381 12.329 -0.807 24 H TRP 4 HN TRP 4 -8.390 9.335 -2.498 25 HA TRP 4 HA TRP 4 -7.272 6.779 -2.783 26 1HB TRP 4 HB2 TRP 4 -9.571 7.247 -3.432 27 2HB TRP 4 HB3 TRP 4 -9.015 8.326 -4.710 28 HD1 TRP 4 HD1 TRP 4 -9.492 7.143 -6.927 29 HE1 TRP 4 HE1 TRP 4 -9.087 4.787 -7.889 30 HE3 TRP 4 HE3 TRP 4 -7.660 4.870 -2.730 31 HZ2 TRP 4 HZ2 TRP 4 -8.111 2.302 -6.974 32 HZ3 TRP 4 HZ3 TRP 4 -7.028 2.496 -2.850 33 HH2 TRP 4 HH2 TRP 4 -7.242 1.245 -4.935 34 H LEU 5 HN LEU 5 -6.707 9.769 -4.616 35 HA LEU 5 HA LEU 5 -5.147 8.530 -6.640 36 1HB LEU 5 HB2 LEU 5 -5.374 11.388 -5.714 37 2HB LEU 5 HB3 LEU 5 -4.339 10.907 -7.042 38 HG LEU 5 HG LEU 5 -6.371 11.795 -7.934 39 1HD1 LEU 5 HD11 LEU 5 -5.421 9.925 -9.146 40 2HD1 LEU 5 HD12 LEU 5 -6.359 8.794 -8.169 41 3HD1 LEU 5 HD13 LEU 5 -7.182 9.907 -9.264 42 1HD2 LEU 5 HD21 LEU 5 -7.844 11.524 -6.042 43 2HD2 LEU 5 HD22 LEU 5 -8.565 10.793 -7.477 44 3HD2 LEU 5 HD23 LEU 5 -7.822 9.772 -6.245 45 H THR 6 HN THR 6 -4.380 10.138 -3.601 46 HA THR 6 HA THR 6 -1.554 9.904 -3.914 47 HB THR 6 HB THR 6 -3.141 10.313 -1.368 48 HG1 THR 6 HG1 THR 6 -3.662 12.093 -2.475 49 1HG2 THR 6 HG21 THR 6 -0.274 10.983 -2.054 50 2HG2 THR 6 HG22 THR 6 -0.801 9.689 -0.980 51 3HG2 THR 6 HG23 THR 6 -1.091 11.371 -0.541 52 H PHE 7 HN PHE 7 -4.061 7.972 -2.364 53 HA PHE 7 HA PHE 7 -2.469 6.172 -0.937 54 1HB PHE 7 HB2 PHE 7 -4.957 6.394 -0.769 55 2HB PHE 7 HB3 PHE 7 -5.097 5.576 -2.319 56 HD1 PHE 7 HD1 PHE 7 -4.654 5.177 1.241 57 HD2 PHE 7 HD2 PHE 7 -4.366 3.207 -2.523 58 HE1 PHE 7 HE1 PHE 7 -4.666 2.999 2.387 59 HE2 PHE 7 HE2 PHE 7 -4.388 1.024 -1.382 60 HZ PHE 7 HZ PHE 7 -4.567 0.934 1.105 61 H GLN 8 HN GLN 8 -3.637 6.077 -4.271 62 HA GLN 8 HA GLN 8 -2.758 3.577 -5.044 63 1HB GLN 8 HB2 GLN 8 -3.248 6.151 -6.440 64 2HB GLN 8 HB3 GLN 8 -2.410 4.878 -7.303 65 1HG GLN 8 HG2 GLN 8 -4.276 3.377 -6.973 66 2HG GLN 8 HG3 GLN 8 -5.100 4.591 -5.993 67 1HE2 GLN 8 HE21 GLN 8 -6.016 6.365 -6.980 68 2HE2 GLN 8 HE22 GLN 8 -6.301 6.436 -8.683 69 H LYS 9 HN LYS 9 -1.055 6.659 -5.533 70 HA LYS 9 HA LYS 9 1.251 5.710 -6.709 71 1HB LYS 9 HB2 LYS 9 1.052 7.980 -4.723 72 2HB LYS 9 HB3 LYS 9 2.308 7.766 -5.932 73 1HG LYS 9 HG2 LYS 9 0.833 8.244 -7.696 74 2HG LYS 9 HG3 LYS 9 -0.585 8.084 -6.655 75 1HD LYS 9 HD2 LYS 9 0.037 10.060 -5.432 76 2HD LYS 9 HD3 LYS 9 1.548 10.188 -6.336 77 1HE LYS 9 HE2 LYS 9 -1.221 10.394 -7.507 78 2HE LYS 9 HE3 LYS 9 -0.159 11.755 -7.147 79 1HZ LYS 9 HZ1 LYS 9 0.294 9.606 -9.150 80 2HZ LYS 9 HZ2 LYS 9 1.470 10.745 -8.705 81 3HZ LYS 9 HZ3 LYS 9 0.035 11.257 -9.449 82 H LYS 10 HN LYS 10 0.334 5.743 -3.357 83 HA LYS 10 HA LYS 10 3.062 5.191 -2.487 84 1HB LYS 10 HB2 LYS 10 0.607 5.808 -0.843 85 2HB LYS 10 HB3 LYS 10 2.258 5.702 -0.241 86 1HG LYS 10 HG2 LYS 10 2.918 7.613 -1.527 87 2HG LYS 10 HG3 LYS 10 1.356 7.663 -2.336 88 1HD LYS 10 HD2 LYS 10 1.247 9.357 -0.729 89 2HD LYS 10 HD3 LYS 10 0.357 8.014 -0.013 90 1HE LYS 10 HE2 LYS 10 2.149 7.477 1.430 91 2HE LYS 10 HE3 LYS 10 3.269 8.515 0.547 92 1HZ LYS 10 HZ1 LYS 10 1.884 10.432 1.247 93 2HZ LYS 10 HZ2 LYS 10 2.627 9.632 2.542 94 3HZ LYS 10 HZ3 LYS 10 0.975 9.388 2.229 95 H HIS 11 HN HIS 11 0.362 3.331 -3.266 96 HA HIS 11 HA HIS 11 1.432 1.151 -1.631 97 1HB HIS 11 HB2 HIS 11 -1.436 2.059 -1.563 98 2HB HIS 11 HB3 HIS 11 -0.929 0.462 -1.026 99 HD1 HIS 11 HD1 HIS 11 0.979 0.532 0.954 100 HD2 HIS 11 HD2 HIS 11 -1.326 3.950 0.365 101 HE1 HIS 11 HE1 HIS 11 1.206 1.880 3.065 102 HE2 HIS 11 HE2 HIS 11 -0.259 3.906 2.724 103 H ILE 12 HN ILE 12 0.090 2.139 -4.599 104 HA ILE 12 HA ILE 12 -0.595 -0.631 -5.287 105 HB ILE 12 HB ILE 12 -1.099 1.900 -6.865 106 1HG1 ILE 12 HG12 ILE 12 -2.455 1.819 -4.839 107 2HG1 ILE 12 HG13 ILE 12 -3.460 1.571 -6.258 108 1HG2 ILE 12 HG21 ILE 12 -2.550 0.498 -8.258 109 2HG2 ILE 12 HG22 ILE 12 -0.865 -0.022 -8.323 110 3HG2 ILE 12 HG23 ILE 12 -2.032 -0.922 -7.351 111 1HD1 ILE 12 HD11 ILE 12 -2.503 -0.547 -4.345 112 2HD1 ILE 12 HD12 ILE 12 -4.142 0.093 -4.487 113 3HD1 ILE 12 HD13 ILE 12 -3.444 -0.848 -5.807 114 H THR 13 HN THR 13 0.868 -1.836 -6.306 115 HA THR 13 HA THR 13 2.779 -0.460 -8.057 116 HB THR 13 HB THR 13 3.838 -1.161 -5.876 117 HG1 THR 13 HG1 THR 13 5.187 -0.842 -7.595 118 1HG2 THR 13 HG21 THR 13 3.392 -3.935 -6.994 119 2HG2 THR 13 HG22 THR 13 2.716 -3.282 -5.501 120 3HG2 THR 13 HG23 THR 13 4.459 -3.545 -5.641 121 H ASN 14 HN ASN 14 3.754 -1.911 -9.692 122 HA ASN 14 HA ASN 14 1.691 -3.776 -10.669 123 1HB ASN 14 HB2 ASN 14 2.452 -3.218 -12.932 124 2HB ASN 14 HB3 ASN 14 1.980 -1.763 -12.062 125 1HD2 ASN 14 HD21 ASN 14 3.737 -2.086 -14.361 126 2HD2 ASN 14 HD22 ASN 14 5.268 -1.407 -13.897 127 H THR 15 HN THR 15 4.491 -3.890 -9.137 128 HA THR 15 HA THR 15 5.327 -6.357 -10.466 129 HB THR 15 HB THR 15 6.821 -4.741 -11.419 130 HG1 THR 15 HG1 THR 15 8.851 -5.377 -10.123 131 1HG2 THR 15 HG21 THR 15 8.230 -3.265 -10.033 132 2HG2 THR 15 HG22 THR 15 7.346 -3.797 -8.603 133 3HG2 THR 15 HG23 THR 15 6.511 -2.904 -9.873 134 H ARG 16 HN ARG 16 5.988 -7.935 -9.074 135 HA ARG 16 HA ARG 16 5.552 -7.689 -6.297 136 1HB ARG 16 HB2 ARG 16 7.158 -9.729 -7.849 137 2HB ARG 16 HB3 ARG 16 6.768 -9.870 -6.141 138 1HG ARG 16 HG2 ARG 16 4.715 -9.684 -8.334 139 2HG ARG 16 HG3 ARG 16 5.296 -11.195 -7.630 140 1HD ARG 16 HD2 ARG 16 4.094 -8.987 -5.984 141 2HD ARG 16 HD3 ARG 16 3.126 -10.274 -6.699 142 HE ARG 16 HE ARG 16 4.638 -11.821 -5.375 143 1HH1 ARG 16 HH12 ARG 16 3.996 -8.534 -4.348 144 2HH1 ARG 16 HH11 ARG 16 4.131 -8.893 -2.659 145 1HH2 ARG 16 HH22 ARG 16 4.779 -12.313 -3.134 146 2HH2 ARG 16 HH21 ARG 16 4.544 -11.041 -1.972 147 H ASP 17 HN ASP 17 8.357 -7.263 -8.323 148 HA ASP 17 HA ASP 17 10.008 -6.642 -5.982 149 1HB ASP 17 HB2 ASP 17 10.869 -8.184 -7.792 150 2HB ASP 17 HB3 ASP 17 10.872 -6.797 -8.875 151 H VAL 18 HN VAL 18 8.998 -4.655 -5.480 152 HA VAL 18 HA VAL 18 9.006 -2.547 -7.455 153 HB VAL 18 HB VAL 18 7.110 -2.446 -6.055 154 1HG1 VAL 18 HG11 VAL 18 7.697 -3.823 -4.204 155 2HG1 VAL 18 HG12 VAL 18 8.983 -2.713 -3.708 156 3HG1 VAL 18 HG13 VAL 18 7.293 -2.230 -3.553 157 1HG2 VAL 18 HG21 VAL 18 8.001 -0.257 -6.478 158 2HG2 VAL 18 HG22 VAL 18 7.352 -0.297 -4.839 159 3HG2 VAL 18 HG23 VAL 18 9.096 -0.390 -5.101 160 H ASP 19 HN ASP 19 10.358 -0.780 -7.503 161 HA ASP 19 HA ASP 19 12.938 -1.123 -6.365 162 1HB ASP 19 HB2 ASP 19 11.840 1.273 -7.836 163 2HB ASP 19 HB3 ASP 19 13.519 0.838 -7.624 164 H CYS 20 HN CYS 20 12.205 -1.074 -4.118 165 HA CYS 20 HA CYS 20 10.944 0.995 -2.823 166 1HB CYS 20 HB2 CYS 20 13.231 -0.539 -1.604 167 2HB CYS 20 HB3 CYS 20 11.797 0.111 -0.805 168 H ASP 21 HN ASP 21 14.477 0.645 -3.315 169 HA ASP 21 HA ASP 21 15.062 2.943 -1.727 170 1HB ASP 21 HB2 ASP 21 17.334 2.560 -2.206 171 2HB ASP 21 HB3 ASP 21 16.599 0.962 -2.166 172 H ASN 22 HN ASN 22 13.831 2.725 -4.802 173 HA ASN 22 HA ASN 22 14.939 5.339 -5.572 174 1HB ASN 22 HB2 ASN 22 15.109 3.507 -7.251 175 2HB ASN 22 HB3 ASN 22 13.356 3.378 -7.248 176 1HD2 ASN 22 HD21 ASN 22 13.034 3.924 -9.348 177 2HD2 ASN 22 HD22 ASN 22 13.380 5.496 -9.989 178 H ILE 23 HN ILE 23 11.902 3.537 -5.542 179 HA ILE 23 HA ILE 23 10.238 5.751 -6.016 180 HB ILE 23 HB ILE 23 9.634 3.063 -4.781 181 1HG1 ILE 23 HG12 ILE 23 9.284 4.174 -7.574 182 2HG1 ILE 23 HG13 ILE 23 10.442 2.948 -7.072 183 1HG2 ILE 23 HG21 ILE 23 7.943 4.696 -4.103 184 2HG2 ILE 23 HG22 ILE 23 7.679 5.123 -5.794 185 3HG2 ILE 23 HG23 ILE 23 7.287 3.499 -5.223 186 1HD1 ILE 23 HD11 ILE 23 8.631 1.409 -6.593 187 2HD1 ILE 23 HD12 ILE 23 7.448 2.639 -7.038 188 3HD1 ILE 23 HD13 ILE 23 8.543 1.985 -8.256 189 H LEU 24 HN LEU 24 11.344 4.246 -2.983 190 HA LEU 24 HA LEU 24 9.645 5.900 -1.361 191 1HB LEU 24 HB2 LEU 24 12.099 4.417 -0.432 192 2HB LEU 24 HB3 LEU 24 10.761 4.974 0.548 193 HG LEU 24 HG LEU 24 10.750 2.691 -1.422 194 1HD1 LEU 24 HD11 LEU 24 11.768 2.193 0.727 195 2HD1 LEU 24 HD12 LEU 24 10.338 2.804 1.560 196 3HD1 LEU 24 HD13 LEU 24 10.224 1.357 0.556 197 1HD2 LEU 24 HD21 LEU 24 8.631 3.840 -1.595 198 2HD2 LEU 24 HD22 LEU 24 8.441 2.308 -0.735 199 3HD2 LEU 24 HD23 LEU 24 8.459 3.828 0.162 200 H SER 25 HN SER 25 12.525 6.436 -3.011 201 HA SER 25 HA SER 25 13.733 8.221 -1.105 202 1HB SER 25 HB2 SER 25 15.022 6.871 -2.795 203 2HB SER 25 HB3 SER 25 14.375 7.927 -4.050 204 HG SER 25 HG SER 25 15.999 8.681 -1.846 205 H THR 26 HN THR 26 11.251 8.469 -3.411 206 HA THR 26 HA THR 26 11.629 11.235 -4.069 207 HB THR 26 HB THR 26 9.397 11.093 -5.111 208 HG1 THR 26 HG1 THR 26 9.364 8.351 -4.300 209 1HG2 THR 26 HG21 THR 26 9.947 9.388 -6.803 210 2HG2 THR 26 HG22 THR 26 11.223 8.775 -5.752 211 3HG2 THR 26 HG23 THR 26 11.328 10.410 -6.407 212 H ASN 27 HN ASN 27 9.941 12.870 -3.611 213 HA ASN 27 HA ASN 27 9.594 13.307 -0.870 214 1HB ASN 27 HB2 ASN 27 9.627 15.067 -2.622 215 2HB ASN 27 HB3 ASN 27 8.035 14.540 -3.153 216 1HD2 ASN 27 HD21 ASN 27 7.000 16.423 -2.724 217 2HD2 ASN 27 HD22 ASN 27 6.751 17.039 -1.122 218 H LEU 28 HN LEU 28 7.848 11.289 -2.907 219 HA LEU 28 HA LEU 28 5.246 11.501 -1.792 220 1HB LEU 28 HB2 LEU 28 5.846 10.494 -4.016 221 2HB LEU 28 HB3 LEU 28 6.496 9.116 -3.154 222 HG LEU 28 HG LEU 28 4.213 8.753 -2.171 223 1HD1 LEU 28 HD11 LEU 28 3.421 10.785 -4.253 224 2HD1 LEU 28 HD12 LEU 28 2.316 9.798 -3.296 225 3HD1 LEU 28 HD13 LEU 28 3.332 11.003 -2.504 226 1HD2 LEU 28 HD21 LEU 28 3.318 7.724 -4.193 227 2HD2 LEU 28 HD22 LEU 28 4.456 8.650 -5.175 228 3HD2 LEU 28 HD23 LEU 28 5.052 7.435 -4.041 229 H PHE 29 HN PHE 29 8.161 9.912 -0.842 230 HA PHE 29 HA PHE 29 6.762 8.762 1.485 231 1HB PHE 29 HB2 PHE 29 9.123 7.527 0.044 232 2HB PHE 29 HB3 PHE 29 8.333 6.883 1.480 233 HD1 PHE 29 HD1 PHE 29 8.149 7.291 -2.125 234 HD2 PHE 29 HD2 PHE 29 6.124 5.861 1.328 235 HE1 PHE 29 HE1 PHE 29 6.618 6.015 -3.557 236 HE2 PHE 29 HE2 PHE 29 4.589 4.579 -0.102 237 HZ PHE 29 HZ PHE 29 4.839 4.652 -2.548 238 H HIS 30 HN HIS 30 9.728 10.071 0.136 239 HA HIS 30 HA HIS 30 11.383 11.347 0.980 240 1HB HIS 30 HB2 HIS 30 9.322 12.463 2.101 241 2HB HIS 30 HB3 HIS 30 9.887 11.667 3.569 242 HD1 HIS 30 HD1 HIS 30 11.124 13.314 4.947 243 HD2 HIS 30 HD2 HIS 30 11.835 13.824 0.883 244 HE1 HIS 30 HE1 HIS 30 12.807 15.177 4.783 245 HE2 HIS 30 HE2 HIS 30 13.439 15.237 2.342 246 H CYS 31 HN CYS 31 11.482 8.578 1.227 247 HA CYS 31 HA CYS 31 12.637 6.891 2.163 248 1HB CYS 31 HB2 CYS 31 14.284 9.070 3.458 249 2HB CYS 31 HB3 CYS 31 14.768 7.402 3.197 250 H LYS 32 HN LYS 32 10.531 6.678 3.344 251 HA LYS 32 HA LYS 32 10.531 7.191 6.164 252 1HB LYS 32 HB2 LYS 32 8.426 5.991 6.182 253 2HB LYS 32 HB3 LYS 32 8.456 7.098 4.819 254 1HG LYS 32 HG2 LYS 32 9.233 5.037 3.463 255 2HG LYS 32 HG3 LYS 32 8.607 4.117 4.830 256 1HD LYS 32 HD2 LYS 32 7.062 6.116 3.185 257 2HD LYS 32 HD3 LYS 32 6.935 4.362 3.062 258 1HE LYS 32 HE2 LYS 32 6.128 4.244 5.353 259 2HE LYS 32 HE3 LYS 32 6.306 5.991 5.519 260 1HZ LYS 32 HZ1 LYS 32 4.484 4.616 3.616 261 2HZ LYS 32 HZ2 LYS 32 4.652 6.294 3.788 262 3HZ LYS 32 HZ3 LYS 32 4.017 5.371 5.064 263 H ASP 33 HN ASP 33 9.920 5.133 7.578 264 HA ASP 33 HA ASP 33 12.260 3.542 7.704 265 1HB ASP 33 HB2 ASP 33 9.594 3.323 9.100 266 2HB ASP 33 HB3 ASP 33 10.929 2.221 9.419 267 H LYS 34 HN LYS 34 8.910 2.716 6.866 268 HA LYS 34 HA LYS 34 9.869 0.748 4.988 269 1HB LYS 34 HB2 LYS 34 8.307 -1.016 5.986 270 2HB LYS 34 HB3 LYS 34 9.837 -0.739 6.799 271 1HG LYS 34 HG2 LYS 34 8.176 -0.981 8.468 272 2HG LYS 34 HG3 LYS 34 8.621 0.723 8.419 273 1HD LYS 34 HD2 LYS 34 6.624 1.179 7.050 274 2HD LYS 34 HD3 LYS 34 6.174 -0.524 7.170 275 1HE LYS 34 HE2 LYS 34 5.891 -0.350 9.536 276 2HE LYS 34 HE3 LYS 34 6.558 1.282 9.548 277 1HZ LYS 34 HZ1 LYS 34 4.038 0.478 8.195 278 2HZ LYS 34 HZ2 LYS 34 4.668 2.045 8.288 279 3HZ LYS 34 HZ3 LYS 34 4.137 1.268 9.695 280 H ASN 35 HN ASN 35 8.114 -0.109 3.641 281 HA ASN 35 HA ASN 35 5.557 1.241 3.855 282 1HB ASN 35 HB2 ASN 35 7.105 2.764 2.517 283 2HB ASN 35 HB3 ASN 35 7.081 1.522 1.273 284 1HD2 ASN 35 HD21 ASN 35 5.296 1.281 0.006 285 2HD2 ASN 35 HD22 ASN 35 3.936 2.352 0.051 286 H THR 36 HN THR 36 4.048 -0.217 3.443 287 HA THR 36 HA THR 36 4.726 -2.665 2.040 288 HB THR 36 HB THR 36 2.090 -1.902 3.305 289 HG1 THR 36 HG1 THR 36 4.157 -3.462 4.499 290 1HG2 THR 36 HG21 THR 36 2.006 -3.819 1.761 291 2HG2 THR 36 HG22 THR 36 1.729 -4.314 3.430 292 3HG2 THR 36 HG23 THR 36 3.296 -4.603 2.675 293 H PHE 37 HN PHE 37 4.494 -2.788 -0.091 294 HA PHE 37 HA PHE 37 2.455 -1.154 -1.424 295 1HB PHE 37 HB2 PHE 37 4.727 -2.790 -2.561 296 2HB PHE 37 HB3 PHE 37 3.568 -1.887 -3.526 297 HD1 PHE 37 HD1 PHE 37 6.403 -1.650 -1.236 298 HD2 PHE 37 HD2 PHE 37 3.695 0.521 -3.708 299 HE1 PHE 37 HE1 PHE 37 7.863 0.323 -1.104 300 HE2 PHE 37 HE2 PHE 37 5.163 2.488 -3.583 301 HZ PHE 37 HZ PHE 37 7.250 2.378 -2.288 302 H ILE 38 HN ILE 38 1.100 -2.115 -3.025 303 HA ILE 38 HA ILE 38 0.404 -4.916 -2.423 304 HB ILE 38 HB ILE 38 -1.429 -2.726 -3.427 305 1HG1 ILE 38 HG12 ILE 38 -1.403 -3.896 -0.644 306 2HG1 ILE 38 HG13 ILE 38 -0.527 -2.427 -1.060 307 1HG2 ILE 38 HG21 ILE 38 -2.125 -4.967 -4.075 308 2HG2 ILE 38 HG22 ILE 38 -2.017 -5.503 -2.399 309 3HG2 ILE 38 HG23 ILE 38 -3.224 -4.302 -2.865 310 1HD1 ILE 38 HD11 ILE 38 -2.660 -1.912 -0.041 311 2HD1 ILE 38 HD12 ILE 38 -2.625 -1.369 -1.720 312 3HD1 ILE 38 HD13 ILE 38 -3.497 -2.842 -1.285 313 H TYR 39 HN TYR 39 0.983 -6.201 -4.059 314 HA TYR 39 HA TYR 39 1.159 -5.229 -6.768 315 1HB TYR 39 HB2 TYR 39 2.734 -6.945 -6.115 316 2HB TYR 39 HB3 TYR 39 1.429 -8.012 -5.613 317 HD1 TYR 39 HD1 TYR 39 2.693 -6.218 -8.633 318 HD2 TYR 39 HD2 TYR 39 0.658 -9.623 -7.093 319 HE1 TYR 39 HE1 TYR 39 2.659 -7.205 -10.883 320 HE2 TYR 39 HE2 TYR 39 0.619 -10.619 -9.341 321 HH TYR 39 HH TYR 39 0.714 -9.776 -11.743 322 H SER 40 HN SER 40 -0.769 -4.612 -7.476 323 HA SER 40 HA SER 40 -2.684 -6.452 -8.356 324 1HB SER 40 HB2 SER 40 -3.144 -6.539 -5.849 325 2HB SER 40 HB3 SER 40 -3.616 -4.848 -5.949 326 HG SER 40 HG SER 40 -4.822 -6.565 -7.775 327 H ARG 41 HN ARG 41 -4.887 -4.959 -8.673 328 HA ARG 41 HA ARG 41 -3.929 -2.459 -9.884 329 1HB ARG 41 HB2 ARG 41 -6.543 -3.866 -10.247 330 2HB ARG 41 HB3 ARG 41 -6.064 -2.416 -11.063 331 1HG ARG 41 HG2 ARG 41 -4.621 -5.020 -11.298 332 2HG ARG 41 HG3 ARG 41 -5.892 -4.491 -12.400 333 1HD ARG 41 HD2 ARG 41 -3.868 -3.902 -13.381 334 2HD ARG 41 HD3 ARG 41 -4.549 -2.421 -12.765 335 HE ARG 41 HE ARG 41 -2.823 -3.492 -10.833 336 1HH1 ARG 41 HH12 ARG 41 -2.637 -2.132 -14.049 337 2HH1 ARG 41 HH11 ARG 41 -1.108 -1.345 -13.766 338 1HH2 ARG 41 HH22 ARG 41 -0.800 -2.481 -10.466 339 2HH2 ARG 41 HH21 ARG 41 -0.065 -1.558 -11.742 340 HA PRO 42 HA PRO 42 -5.875 0.120 -6.994 341 1HB PRO 42 HB2 PRO 42 -7.139 1.774 -8.989 342 2HB PRO 42 HB3 PRO 42 -5.691 2.110 -8.051 343 1HG PRO 42 HG2 PRO 42 -5.743 1.628 -10.760 344 2HG PRO 42 HG3 PRO 42 -4.319 1.446 -9.734 345 1HD PRO 42 HD2 PRO 42 -6.112 -0.627 -10.849 346 2HD PRO 42 HD3 PRO 42 -4.404 -0.740 -10.463 347 H GLU 43 HN GLU 43 -7.810 -0.937 -9.699 348 HA GLU 43 HA GLU 43 -10.240 0.050 -8.700 349 1HB GLU 43 HB2 GLU 43 -9.567 -1.961 -10.820 350 2HB GLU 43 HB3 GLU 43 -11.223 -1.543 -10.430 351 1HG GLU 43 HG2 GLU 43 -9.080 0.328 -11.402 352 2HG GLU 43 HG3 GLU 43 -10.465 -0.254 -12.322 353 HA PRO 44 HA PRO 44 -11.064 -4.569 -7.237 354 1HB PRO 44 HB2 PRO 44 -8.750 -5.954 -6.708 355 2HB PRO 44 HB3 PRO 44 -9.699 -6.128 -8.186 356 1HG PRO 44 HG2 PRO 44 -7.239 -4.503 -7.687 357 2HG PRO 44 HG3 PRO 44 -7.661 -5.497 -9.095 358 1HD PRO 44 HD2 PRO 44 -7.922 -2.829 -9.153 359 2HD PRO 44 HD3 PRO 44 -9.086 -3.883 -9.954 360 H VAL 45 HN VAL 45 -8.395 -2.552 -6.198 361 HA VAL 45 HA VAL 45 -8.689 -3.372 -3.419 362 HB VAL 45 HB VAL 45 -6.924 -1.263 -4.691 363 1HG1 VAL 45 HG11 VAL 45 -7.515 -0.623 -2.403 364 2HG1 VAL 45 HG12 VAL 45 -6.983 -2.203 -1.826 365 3HG1 VAL 45 HG13 VAL 45 -5.814 -1.082 -2.526 366 1HG2 VAL 45 HG21 VAL 45 -5.109 -2.814 -4.140 367 2HG2 VAL 45 HG22 VAL 45 -6.291 -3.970 -3.524 368 3HG2 VAL 45 HG23 VAL 45 -6.282 -3.543 -5.236 369 H LYS 46 HN LYS 46 -9.488 -0.705 -5.526 370 HA LYS 46 HA LYS 46 -10.695 0.986 -3.603 371 1HB LYS 46 HB2 LYS 46 -10.015 1.565 -5.969 372 2HB LYS 46 HB3 LYS 46 -11.419 0.669 -6.519 373 1HG LYS 46 HG2 LYS 46 -12.876 2.225 -5.308 374 2HG LYS 46 HG3 LYS 46 -11.449 3.136 -4.794 375 1HD LYS 46 HD2 LYS 46 -10.858 3.488 -7.155 376 2HD LYS 46 HD3 LYS 46 -12.331 2.649 -7.637 377 1HE LYS 46 HE2 LYS 46 -13.646 4.367 -6.439 378 2HE LYS 46 HE3 LYS 46 -12.145 5.219 -6.077 379 1HZ LYS 46 HZ1 LYS 46 -13.326 6.088 -8.050 380 2HZ LYS 46 HZ2 LYS 46 -13.080 4.595 -8.825 381 3HZ LYS 46 HZ3 LYS 46 -11.753 5.556 -8.394 382 H ALA 47 HN ALA 47 -11.685 -1.840 -5.363 383 HA ALA 47 HA ALA 47 -14.477 -1.687 -4.855 384 1HB ALA 47 HB1 ALA 47 -14.568 -3.980 -5.624 385 2HB ALA 47 HB2 ALA 47 -13.519 -3.035 -6.678 386 3HB ALA 47 HB3 ALA 47 -12.817 -4.127 -5.483 387 H ILE 48 HN ILE 48 -11.802 -2.541 -2.897 388 HA ILE 48 HA ILE 48 -13.162 -4.187 -1.019 389 HB ILE 48 HB ILE 48 -10.810 -2.349 -0.498 390 1HG1 ILE 48 HG12 ILE 48 -10.807 -5.272 -1.295 391 2HG1 ILE 48 HG13 ILE 48 -10.445 -3.944 -2.388 392 1HG2 ILE 48 HG21 ILE 48 -11.802 -4.799 0.960 393 2HG2 ILE 48 HG22 ILE 48 -10.317 -3.920 1.328 394 3HG2 ILE 48 HG23 ILE 48 -11.882 -3.133 1.534 395 1HD1 ILE 48 HD11 ILE 48 -8.423 -5.017 -1.589 396 2HD1 ILE 48 HD12 ILE 48 -8.517 -3.346 -1.034 397 3HD1 ILE 48 HD13 ILE 48 -8.884 -4.665 0.076 398 H CYS 49 HN CYS 49 -12.801 -0.746 -1.521 399 HA CYS 49 HA CYS 49 -14.320 -0.159 0.910 400 1HB CYS 49 HB2 CYS 49 -12.869 1.657 -1.031 401 2HB CYS 49 HB3 CYS 49 -13.682 2.187 0.438 402 H LYS 50 HN LYS 50 -15.101 -1.103 -2.013 403 HA LYS 50 HA LYS 50 -16.861 0.821 -3.053 404 1HB LYS 50 HB2 LYS 50 -16.067 -1.141 -4.319 405 2HB LYS 50 HB3 LYS 50 -17.005 -2.191 -3.270 406 1HG LYS 50 HG2 LYS 50 -19.066 -1.127 -4.063 407 2HG LYS 50 HG3 LYS 50 -18.111 -0.103 -5.138 408 1HD LYS 50 HD2 LYS 50 -19.035 -2.004 -6.352 409 2HD LYS 50 HD3 LYS 50 -17.274 -2.102 -6.291 410 1HE LYS 50 HE2 LYS 50 -17.434 -3.692 -4.436 411 2HE LYS 50 HE3 LYS 50 -19.191 -3.590 -4.499 412 1HZ LYS 50 HZ1 LYS 50 -17.435 -4.599 -6.674 413 2HZ LYS 50 HZ2 LYS 50 -19.121 -4.487 -6.747 414 3HZ LYS 50 HZ3 LYS 50 -18.389 -5.550 -5.644 415 H GLY 51 HN GLY 51 -18.635 1.612 -2.212 416 1HA GLY 51 HA1 GLY 51 -20.833 1.460 -1.402 417 2HA GLY 51 HA2 GLY 51 -20.472 -0.142 -0.780 418 H ILE 52 HN ILE 52 -17.917 1.696 0.120 419 HA ILE 52 HA ILE 52 -19.106 2.159 2.771 420 HB ILE 52 HB ILE 52 -16.159 2.119 2.140 421 1HG1 ILE 52 HG12 ILE 52 -17.062 -0.038 1.437 422 2HG1 ILE 52 HG13 ILE 52 -16.129 -0.224 2.915 423 1HG2 ILE 52 HG21 ILE 52 -17.695 1.692 4.699 424 2HG2 ILE 52 HG22 ILE 52 -15.940 1.645 4.528 425 3HG2 ILE 52 HG23 ILE 52 -16.816 3.152 4.247 426 1HD1 ILE 52 HD11 ILE 52 -18.222 -0.260 4.204 427 2HD1 ILE 52 HD12 ILE 52 -19.126 -0.142 2.693 428 3HD1 ILE 52 HD13 ILE 52 -18.128 -1.562 3.016 429 H ILE 53 HN ILE 53 -19.980 4.206 2.485 430 HA ILE 53 HA ILE 53 -18.377 6.345 1.395 431 HB ILE 53 HB ILE 53 -21.167 6.234 2.529 432 1HG1 ILE 53 HG12 ILE 53 -21.790 6.910 0.248 433 2HG1 ILE 53 HG13 ILE 53 -20.102 6.909 -0.226 434 1HG2 ILE 53 HG21 ILE 53 -19.703 8.687 1.557 435 2HG2 ILE 53 HG22 ILE 53 -21.419 8.602 1.960 436 3HG2 ILE 53 HG23 ILE 53 -20.205 8.361 3.217 437 1HD1 ILE 53 HD11 ILE 53 -21.733 4.526 0.617 438 2HD1 ILE 53 HD12 ILE 53 -21.212 4.925 -1.022 439 3HD1 ILE 53 HD13 ILE 53 -20.015 4.497 0.204 440 H ALA 54 HN ALA 54 -19.801 5.527 4.545 441 HA ALA 54 HA ALA 54 -18.590 7.702 5.919 442 1HB ALA 54 HB1 ALA 54 -19.325 6.591 7.951 443 2HB ALA 54 HB2 ALA 54 -20.612 6.590 6.746 444 3HB ALA 54 HB3 ALA 54 -19.679 5.123 7.039 445 H SER 55 HN SER 55 -16.698 7.845 6.950 446 HA SER 55 HA SER 55 -14.487 6.423 6.141 447 1HB SER 55 HB2 SER 55 -14.595 7.702 8.845 448 2HB SER 55 HB3 SER 55 -13.320 7.767 7.628 449 HG SER 55 HG SER 55 -14.229 9.451 6.777 450 H LYS 56 HN LYS 56 -14.223 4.274 6.404 451 HA LYS 56 HA LYS 56 -14.584 3.139 9.091 452 1HB LYS 56 HB2 LYS 56 -16.642 2.715 7.833 453 2HB LYS 56 HB3 LYS 56 -15.714 1.993 6.529 454 1HG LYS 56 HG2 LYS 56 -14.971 0.232 8.128 455 2HG LYS 56 HG3 LYS 56 -16.079 0.922 9.316 456 1HD LYS 56 HD2 LYS 56 -17.956 0.535 7.808 457 2HD LYS 56 HD3 LYS 56 -16.860 -0.122 6.594 458 1HE LYS 56 HE2 LYS 56 -17.918 -1.948 7.730 459 2HE LYS 56 HE3 LYS 56 -16.223 -1.900 8.213 460 1HZ LYS 56 HZ1 LYS 56 -17.697 -2.282 10.097 461 2HZ LYS 56 HZ2 LYS 56 -18.491 -0.814 9.794 462 3HZ LYS 56 HZ3 LYS 56 -16.863 -0.813 10.265 463 H ASN 57 HN ASN 57 -12.827 2.049 9.682 464 HA ASN 57 HA ASN 57 -10.813 1.189 7.831 465 1HB ASN 57 HB2 ASN 57 -11.251 0.541 10.757 466 2HB ASN 57 HB3 ASN 57 -9.855 0.005 9.832 467 1HD2 ASN 57 HD21 ASN 57 -10.056 1.690 12.199 468 2HD2 ASN 57 HD22 ASN 57 -9.243 3.159 11.797 469 H VAL 58 HN VAL 58 -11.162 -0.498 6.481 470 HA VAL 58 HA VAL 58 -12.746 -2.740 7.555 471 HB VAL 58 HB VAL 58 -13.528 -3.277 5.388 472 1HG1 VAL 58 HG11 VAL 58 -14.736 -1.467 6.433 473 2HG1 VAL 58 HG12 VAL 58 -13.636 -0.291 5.712 474 3HG1 VAL 58 HG13 VAL 58 -14.699 -1.250 4.683 475 1HG2 VAL 58 HG21 VAL 58 -12.853 -2.109 3.352 476 2HG2 VAL 58 HG22 VAL 58 -11.664 -1.195 4.281 477 3HG2 VAL 58 HG23 VAL 58 -11.500 -2.944 4.114 478 H LEU 59 HN LEU 59 -11.906 -4.721 7.564 479 HA LEU 59 HA LEU 59 -9.170 -5.072 6.621 480 1HB LEU 59 HB2 LEU 59 -9.873 -5.620 8.981 481 2HB LEU 59 HB3 LEU 59 -10.859 -6.897 8.322 482 HG LEU 59 HG LEU 59 -8.528 -7.435 9.313 483 1HD1 LEU 59 HD11 LEU 59 -9.930 -9.083 8.261 484 2HD1 LEU 59 HD12 LEU 59 -9.406 -8.542 6.665 485 3HD1 LEU 59 HD13 LEU 59 -8.252 -9.297 7.763 486 1HD2 LEU 59 HD21 LEU 59 -7.763 -6.573 6.539 487 2HD2 LEU 59 HD22 LEU 59 -7.312 -5.761 8.041 488 3HD2 LEU 59 HD23 LEU 59 -6.720 -7.387 7.707 489 H THR 60 HN THR 60 -8.662 -6.509 5.016 490 HA THR 60 HA THR 60 -10.761 -6.946 3.148 491 HB THR 60 HB THR 60 -8.996 -8.022 1.744 492 HG1 THR 60 HG1 THR 60 -7.317 -8.739 2.797 493 1HG2 THR 60 HG21 THR 60 -8.273 -5.340 2.923 494 2HG2 THR 60 HG22 THR 60 -9.444 -5.616 1.632 495 3HG2 THR 60 HG23 THR 60 -7.735 -5.967 1.364 496 H THR 61 HN THR 61 -11.454 -8.861 2.213 497 HA THR 61 HA THR 61 -11.856 -10.992 4.085 498 HB THR 61 HB THR 61 -13.138 -11.960 2.091 499 HG1 THR 61 HG1 THR 61 -13.540 -10.364 0.433 500 1HG2 THR 61 HG21 THR 61 -14.255 -10.752 3.890 501 2HG2 THR 61 HG22 THR 61 -14.962 -10.300 2.339 502 3HG2 THR 61 HG23 THR 61 -13.830 -9.210 3.143 503 H SER 62 HN SER 62 -9.697 -10.317 1.532 504 HA SER 62 HA SER 62 -8.779 -13.110 1.450 505 1HB SER 62 HB2 SER 62 -8.709 -11.188 -0.886 506 2HB SER 62 HB3 SER 62 -8.368 -12.917 -0.907 507 HG SER 62 HG SER 62 -10.741 -12.877 0.010 508 H GLU 63 HN GLU 63 -6.475 -13.340 0.922 509 HA GLU 63 HA GLU 63 -4.883 -11.128 1.918 510 1HB GLU 63 HB2 GLU 63 -3.841 -13.762 0.870 511 2HB GLU 63 HB3 GLU 63 -3.011 -12.613 1.890 512 1HG GLU 63 HG2 GLU 63 -3.615 -14.447 3.242 513 2HG GLU 63 HG3 GLU 63 -4.659 -13.103 3.688 514 H PHE 64 HN PHE 64 -3.389 -9.993 0.714 515 HA PHE 64 HA PHE 64 -3.581 -10.354 -2.205 516 1HB PHE 64 HB2 PHE 64 -3.262 -7.844 -0.567 517 2HB PHE 64 HB3 PHE 64 -2.985 -7.889 -2.303 518 HD1 PHE 64 HD1 PHE 64 -4.773 -7.781 -3.819 519 HD2 PHE 64 HD2 PHE 64 -5.553 -8.399 0.318 520 HE1 PHE 64 HE1 PHE 64 -7.172 -7.417 -4.219 521 HE2 PHE 64 HE2 PHE 64 -7.954 -8.039 -0.076 522 HZ PHE 64 HZ PHE 64 -8.766 -7.547 -2.347 523 H TYR 65 HN TYR 65 -1.613 -9.473 -3.367 524 HA TYR 65 HA TYR 65 0.691 -10.706 -2.095 525 1HB TYR 65 HB2 TYR 65 0.305 -9.638 -4.899 526 2HB TYR 65 HB3 TYR 65 1.769 -10.433 -4.320 527 HD1 TYR 65 HD1 TYR 65 -1.507 -10.894 -5.680 528 HD2 TYR 65 HD2 TYR 65 1.587 -12.826 -3.496 529 HE1 TYR 65 HE1 TYR 65 -2.464 -13.075 -6.278 530 HE2 TYR 65 HE2 TYR 65 0.635 -15.020 -4.083 531 HH TYR 65 HH TYR 65 -1.703 -15.420 -6.505 532 H LEU 66 HN LEU 66 1.650 -9.437 -0.685 533 HA LEU 66 HA LEU 66 1.848 -6.570 -1.247 534 1HB LEU 66 HB2 LEU 66 2.303 -8.037 1.347 535 2HB LEU 66 HB3 LEU 66 2.194 -6.299 1.128 536 HG LEU 66 HG LEU 66 -0.056 -8.251 0.663 537 1HD1 LEU 66 HD11 LEU 66 -1.034 -7.292 2.678 538 2HD1 LEU 66 HD12 LEU 66 0.515 -8.065 3.018 539 3HD1 LEU 66 HD13 LEU 66 0.412 -6.308 2.912 540 1HD2 LEU 66 HD21 LEU 66 -1.453 -6.266 0.467 541 2HD2 LEU 66 HD22 LEU 66 -0.031 -5.239 0.647 542 3HD2 LEU 66 HD23 LEU 66 -0.194 -6.279 -0.766 543 H SER 67 HN SER 67 3.788 -5.469 -1.030 544 HA SER 67 HA SER 67 6.195 -7.100 -0.611 545 1HB SER 67 HB2 SER 67 5.852 -4.816 -2.578 546 2HB SER 67 HB3 SER 67 7.364 -5.665 -2.256 547 HG SER 67 HG SER 67 6.652 -6.818 -3.898 548 H ASP 68 HN ASP 68 6.957 -6.526 1.284 549 HA ASP 68 HA ASP 68 6.523 -3.845 2.321 550 1HB ASP 68 HB2 ASP 68 7.719 -6.323 3.581 551 2HB ASP 68 HB3 ASP 68 7.584 -4.775 4.401 552 H CYS 69 HN CYS 69 7.925 -2.357 1.691 553 HA CYS 69 HA CYS 69 10.731 -3.049 1.320 554 1HB CYS 69 HB2 CYS 69 9.240 -0.435 1.006 555 2HB CYS 69 HB3 CYS 69 10.943 -0.661 0.631 556 H ASN 70 HN ASN 70 12.096 -2.982 3.004 557 HA ASN 70 HA ASN 70 11.431 -1.171 5.243 558 1HB ASN 70 HB2 ASN 70 12.817 -3.839 5.559 559 2HB ASN 70 HB3 ASN 70 12.212 -2.787 6.831 560 1HD2 ASN 70 HD21 ASN 70 9.965 -2.670 7.181 561 2HD2 ASN 70 HD22 ASN 70 8.896 -3.916 6.634 562 H VAL 71 HN VAL 71 13.009 0.074 6.009 563 HA VAL 71 HA VAL 71 15.399 0.392 4.529 564 HB VAL 71 HB VAL 71 14.198 2.177 5.845 565 1HG1 VAL 71 HG11 VAL 71 15.601 0.888 8.175 566 2HG1 VAL 71 HG12 VAL 71 14.829 2.473 8.200 567 3HG1 VAL 71 HG13 VAL 71 13.860 1.024 7.934 568 1HG2 VAL 71 HG21 VAL 71 16.379 2.582 4.888 569 2HG2 VAL 71 HG22 VAL 71 16.264 3.360 6.469 570 3HG2 VAL 71 HG23 VAL 71 17.162 1.851 6.292 571 H THR 72 HN THR 72 17.434 -0.181 4.916 572 HA THR 72 HA THR 72 17.767 -2.478 6.686 573 HB THR 72 HB THR 72 19.883 -2.814 5.395 574 HG1 THR 72 HG1 THR 72 18.905 -0.772 3.667 575 1HG2 THR 72 HG21 THR 72 18.802 -3.482 3.288 576 2HG2 THR 72 HG22 THR 72 17.377 -2.542 3.729 577 3HG2 THR 72 HG23 THR 72 17.838 -3.947 4.689 578 H SER 73 HN SER 73 20.722 -1.967 6.452 579 HA SER 73 HA SER 73 21.000 -0.324 8.818 580 1HB SER 73 HB2 SER 73 23.466 -0.999 8.504 581 2HB SER 73 HB3 SER 73 22.323 -2.284 8.893 582 HG SER 73 HG SER 73 23.953 -2.201 6.857 583 H ARG 74 HN ARG 74 20.949 0.110 5.516 584 HA ARG 74 HA ARG 74 22.624 2.513 5.639 585 1HB ARG 74 HB2 ARG 74 21.562 0.928 3.309 586 2HB ARG 74 HB3 ARG 74 22.306 2.511 3.124 587 1HG ARG 74 HG2 ARG 74 24.357 1.656 4.138 588 2HG ARG 74 HG3 ARG 74 23.612 0.061 4.270 589 1HD ARG 74 HD2 ARG 74 23.247 0.187 1.759 590 2HD ARG 74 HD3 ARG 74 24.321 1.585 1.775 591 HE ARG 74 HE ARG 74 25.391 -0.796 3.020 592 1HH1 ARG 74 HH12 ARG 74 25.190 1.166 0.121 593 2HH1 ARG 74 HH11 ARG 74 26.508 0.361 -0.670 594 1HH2 ARG 74 HH22 ARG 74 27.109 -1.881 1.966 595 2HH2 ARG 74 HH21 ARG 74 27.606 -1.362 0.378 596 HA PRO 75 HA PRO 75 19.085 5.010 5.839 597 1HB PRO 75 HB2 PRO 75 20.115 7.348 4.930 598 2HB PRO 75 HB3 PRO 75 20.488 6.678 6.520 599 1HG PRO 75 HG2 PRO 75 22.135 6.721 4.053 600 2HG PRO 75 HG3 PRO 75 22.642 6.769 5.750 601 1HD PRO 75 HD2 PRO 75 22.712 4.533 4.089 602 2HD PRO 75 HD3 PRO 75 22.808 4.498 5.855 603 H CYS 76 HN CYS 76 17.374 5.091 4.627 604 HA CYS 76 HA CYS 76 15.955 5.126 2.867 605 1HB CYS 76 HB2 CYS 76 16.902 7.438 2.672 606 2HB CYS 76 HB3 CYS 76 18.049 6.826 1.496 607 H LYS 77 HN LYS 77 18.228 3.136 3.037 608 HA LYS 77 HA LYS 77 17.882 2.101 0.301 609 1HB LYS 77 HB2 LYS 77 20.161 1.810 2.234 610 2HB LYS 77 HB3 LYS 77 19.873 0.573 1.018 611 1HG LYS 77 HG2 LYS 77 20.287 3.494 0.418 612 2HG LYS 77 HG3 LYS 77 21.548 2.261 0.342 613 1HD LYS 77 HD2 LYS 77 20.259 1.058 -1.365 614 2HD LYS 77 HD3 LYS 77 19.004 2.294 -1.284 615 1HE LYS 77 HE2 LYS 77 20.527 3.967 -2.103 616 2HE LYS 77 HE3 LYS 77 21.873 2.832 -2.035 617 1HZ LYS 77 HZ1 LYS 77 19.495 2.617 -3.822 618 2HZ LYS 77 HZ2 LYS 77 20.757 1.486 -3.729 619 3HZ LYS 77 HZ3 LYS 77 21.068 3.051 -4.288 620 H TYR 78 HN TYR 78 16.814 0.189 0.087 621 HA TYR 78 HA TYR 78 15.808 -0.938 2.619 622 1HB TYR 78 HB2 TYR 78 14.150 -0.537 0.129 623 2HB TYR 78 HB3 TYR 78 13.586 -0.987 1.735 624 HD1 TYR 78 HD1 TYR 78 13.470 0.679 3.518 625 HD2 TYR 78 HD2 TYR 78 14.637 1.754 -0.422 626 HE1 TYR 78 HE1 TYR 78 13.062 3.039 4.053 627 HE2 TYR 78 HE2 TYR 78 14.233 4.123 0.098 628 HH TYR 78 HH TYR 78 13.684 5.210 3.306 629 H LYS 79 HN LYS 79 15.046 -3.068 2.557 630 HA LYS 79 HA LYS 79 15.847 -4.632 0.212 631 1HB LYS 79 HB2 LYS 79 15.810 -6.590 1.777 632 2HB LYS 79 HB3 LYS 79 17.072 -5.418 2.099 633 1HG LYS 79 HG2 LYS 79 16.298 -5.907 4.205 634 2HG LYS 79 HG3 LYS 79 15.394 -4.449 3.805 635 1HD LYS 79 HD2 LYS 79 13.460 -5.785 3.198 636 2HD LYS 79 HD3 LYS 79 14.365 -7.267 3.502 637 1HE LYS 79 HE2 LYS 79 14.612 -6.611 5.857 638 2HE LYS 79 HE3 LYS 79 13.660 -5.159 5.540 639 1HZ LYS 79 HZ1 LYS 79 12.359 -6.987 6.517 640 2HZ LYS 79 HZ2 LYS 79 12.676 -7.934 5.144 641 3HZ LYS 79 HZ3 LYS 79 11.773 -6.506 5.002 642 H LEU 80 HN LEU 80 14.356 -6.556 -0.175 643 HA LEU 80 HA LEU 80 11.632 -5.494 0.048 644 1HB LEU 80 HB2 LEU 80 13.115 -6.791 -2.089 645 2HB LEU 80 HB3 LEU 80 11.538 -7.497 -1.830 646 HG LEU 80 HG LEU 80 11.946 -4.568 -2.206 647 1HD1 LEU 80 HD11 LEU 80 11.210 -6.635 -4.266 648 2HD1 LEU 80 HD12 LEU 80 11.228 -4.890 -4.517 649 3HD1 LEU 80 HD13 LEU 80 12.734 -5.750 -4.199 650 1HD2 LEU 80 HD21 LEU 80 9.889 -5.214 -1.091 651 2HD2 LEU 80 HD22 LEU 80 9.562 -4.593 -2.709 652 3HD2 LEU 80 HD23 LEU 80 9.524 -6.329 -2.406 653 H LYS 81 HN LYS 81 9.975 -6.645 0.735 654 HA LYS 81 HA LYS 81 10.427 -9.433 1.560 655 1HB LYS 81 HB2 LYS 81 10.459 -8.163 3.586 656 2HB LYS 81 HB3 LYS 81 9.081 -7.200 3.084 657 1HG LYS 81 HG2 LYS 81 7.668 -9.224 3.233 658 2HG LYS 81 HG3 LYS 81 9.062 -10.111 3.853 659 1HD LYS 81 HD2 LYS 81 9.169 -8.733 5.796 660 2HD LYS 81 HD3 LYS 81 7.981 -7.609 5.135 661 1HE LYS 81 HE2 LYS 81 7.469 -10.484 5.892 662 2HE LYS 81 HE3 LYS 81 6.989 -9.070 6.830 663 1HZ LYS 81 HZ1 LYS 81 5.972 -9.952 4.195 664 2HZ LYS 81 HZ2 LYS 81 5.721 -8.376 4.769 665 3HZ LYS 81 HZ3 LYS 81 5.100 -9.703 5.630 666 H LYS 82 HN LYS 82 9.327 -10.441 -0.030 667 HA LYS 82 HA LYS 82 6.748 -9.380 -0.888 668 1HB LYS 82 HB2 LYS 82 8.294 -11.767 -1.918 669 2HB LYS 82 HB3 LYS 82 6.932 -10.975 -2.703 670 1HG LYS 82 HG2 LYS 82 8.231 -8.984 -3.071 671 2HG LYS 82 HG3 LYS 82 9.574 -9.645 -2.139 672 1HD LYS 82 HD2 LYS 82 9.801 -11.453 -3.799 673 2HD LYS 82 HD3 LYS 82 8.503 -10.717 -4.740 674 1HE LYS 82 HE2 LYS 82 9.834 -8.687 -5.009 675 2HE LYS 82 HE3 LYS 82 11.121 -9.395 -4.034 676 1HZ LYS 82 HZ1 LYS 82 11.814 -9.748 -6.198 677 2HZ LYS 82 HZ2 LYS 82 10.262 -10.117 -6.767 678 3HZ LYS 82 HZ3 LYS 82 11.100 -11.234 -5.808 679 H SER 83 HN SER 83 4.955 -10.033 0.112 680 HA SER 83 HA SER 83 4.781 -12.807 1.052 681 1HB SER 83 HB2 SER 83 4.006 -10.428 2.758 682 2HB SER 83 HB3 SER 83 3.975 -12.129 3.230 683 HG SER 83 HG SER 83 6.398 -11.815 2.490 684 H THR 84 HN THR 84 2.459 -13.237 1.853 685 HA THR 84 HA THR 84 0.491 -11.661 0.320 686 HB THR 84 HB THR 84 0.208 -14.628 0.793 687 HG1 THR 84 HG1 THR 84 2.009 -13.415 -0.785 688 1HG2 THR 84 HG21 THR 84 -1.805 -13.397 0.136 689 2HG2 THR 84 HG22 THR 84 -1.282 -14.482 -1.154 690 3HG2 THR 84 HG23 THR 84 -0.959 -12.753 -1.271 691 H ASN 85 HN ASN 85 -0.893 -10.710 1.685 692 HA ASN 85 HA ASN 85 -1.960 -12.115 3.974 693 1HB ASN 85 HB2 ASN 85 0.309 -10.886 4.597 694 2HB ASN 85 HB3 ASN 85 -0.739 -9.485 4.603 695 1HD2 ASN 85 HD21 ASN 85 0.697 -10.668 6.798 696 2HD2 ASN 85 HD22 ASN 85 -0.484 -11.078 7.992 697 H LYS 86 HN LYS 86 -3.750 -10.940 4.957 698 HA LYS 86 HA LYS 86 -5.164 -9.229 3.144 699 1HB LYS 86 HB2 LYS 86 -5.822 -9.521 6.061 700 2HB LYS 86 HB3 LYS 86 -6.915 -9.291 4.705 701 1HG LYS 86 HG2 LYS 86 -6.281 -11.610 3.950 702 2HG LYS 86 HG3 LYS 86 -5.464 -11.793 5.504 703 1HD LYS 86 HD2 LYS 86 -7.641 -11.154 6.591 704 2HD LYS 86 HD3 LYS 86 -8.374 -11.285 4.999 705 1HE LYS 86 HE2 LYS 86 -7.858 -13.595 4.847 706 2HE LYS 86 HE3 LYS 86 -6.832 -13.520 6.277 707 1HZ LYS 86 HZ1 LYS 86 -8.803 -13.050 7.613 708 2HZ LYS 86 HZ2 LYS 86 -8.968 -14.518 6.782 709 3HZ LYS 86 HZ3 LYS 86 -9.782 -13.137 6.230 710 H PHE 87 HN PHE 87 -6.000 -7.040 4.011 711 HA PHE 87 HA PHE 87 -4.306 -5.814 5.998 712 1HB PHE 87 HB2 PHE 87 -3.723 -3.872 4.508 713 2HB PHE 87 HB3 PHE 87 -2.879 -5.375 4.165 714 HD1 PHE 87 HD1 PHE 87 -2.833 -6.195 1.979 715 HD2 PHE 87 HD2 PHE 87 -5.801 -3.353 3.080 716 HE1 PHE 87 HE1 PHE 87 -3.562 -6.050 -0.366 717 HE2 PHE 87 HE2 PHE 87 -6.529 -3.206 0.737 718 HZ PHE 87 HZ PHE 87 -5.307 -4.529 -1.021 719 H CYS 88 HN CYS 88 -5.063 -3.822 6.773 720 HA CYS 88 HA CYS 88 -7.936 -3.477 6.309 721 1HB CYS 88 HB2 CYS 88 -7.154 -3.872 8.630 722 2HB CYS 88 HB3 CYS 88 -6.175 -2.412 8.533 723 H VAL 89 HN VAL 89 -8.597 -1.792 5.140 724 HA VAL 89 HA VAL 89 -6.766 0.499 4.840 725 HB VAL 89 HB VAL 89 -7.999 0.955 2.674 726 1HG1 VAL 89 HG11 VAL 89 -5.757 0.017 2.714 727 2HG1 VAL 89 HG12 VAL 89 -6.422 -1.606 2.886 728 3HG1 VAL 89 HG13 VAL 89 -6.699 -0.693 1.404 729 1HG2 VAL 89 HG21 VAL 89 -8.967 -1.875 3.102 730 2HG2 VAL 89 HG22 VAL 89 -9.970 -0.425 3.055 731 3HG2 VAL 89 HG23 VAL 89 -9.125 -0.961 1.600 732 H THR 90 HN THR 90 -7.568 2.545 5.127 733 HA THR 90 HA THR 90 -10.094 2.755 6.504 734 HB THR 90 HB THR 90 -8.191 4.938 5.609 735 HG1 THR 90 HG1 THR 90 -8.415 3.439 8.024 736 1HG2 THR 90 HG21 THR 90 -10.400 5.010 7.673 737 2HG2 THR 90 HG22 THR 90 -10.477 5.741 6.069 738 3HG2 THR 90 HG23 THR 90 -9.314 6.337 7.254 739 H CYS 91 HN CYS 91 -11.873 2.603 5.267 740 HA CYS 91 HA CYS 91 -11.816 3.633 2.542 741 1HB CYS 91 HB2 CYS 91 -13.914 2.046 4.021 742 2HB CYS 91 HB3 CYS 91 -13.951 2.441 2.304 743 H GLU 92 HN GLU 92 -12.620 5.516 1.984 744 HA GLU 92 HA GLU 92 -14.959 6.550 3.395 745 1HB GLU 92 HB2 GLU 92 -12.616 7.560 4.166 746 2HB GLU 92 HB3 GLU 92 -12.817 8.508 2.704 747 1HG GLU 92 HG2 GLU 92 -15.058 9.197 3.553 748 2HG GLU 92 HG3 GLU 92 -14.658 8.403 5.068 749 H ASN 93 HN ASN 93 -16.413 7.377 1.997 750 HA ASN 93 HA ASN 93 -17.446 7.860 0.025 751 1HB ASN 93 HB2 ASN 93 -14.736 9.022 -0.677 752 2HB ASN 93 HB3 ASN 93 -16.210 9.282 -1.601 753 1HD2 ASN 93 HD21 ASN 93 -14.439 10.086 1.253 754 2HD2 ASN 93 HD22 ASN 93 -15.476 11.366 1.785 755 H GLN 94 HN GLN 94 -16.239 5.296 0.341 756 HA GLN 94 HA GLN 94 -16.149 3.374 -0.845 757 1HB GLN 94 HB2 GLN 94 -16.778 5.114 -3.228 758 2HB GLN 94 HB3 GLN 94 -16.797 3.356 -3.220 759 1HG GLN 94 HG2 GLN 94 -18.584 3.386 -1.557 760 2HG GLN 94 HG3 GLN 94 -18.567 5.148 -1.577 761 1HE2 GLN 94 HE21 GLN 94 -18.064 3.254 -4.436 762 2HE2 GLN 94 HE22 GLN 94 -19.573 3.634 -5.200 763 H ALA 95 HN ALA 95 -13.848 5.390 -0.639 764 HA ALA 95 HA ALA 95 -12.083 3.845 -2.400 765 1HB ALA 95 HB1 ALA 95 -10.813 5.847 -2.970 766 2HB ALA 95 HB2 ALA 95 -12.492 5.997 -3.489 767 3HB ALA 95 HB3 ALA 95 -11.937 6.834 -2.039 768 HA PRO 96 HA PRO 96 -9.590 3.409 1.300 769 1HB PRO 96 HB2 PRO 96 -7.424 2.974 -0.654 770 2HB PRO 96 HB3 PRO 96 -7.993 1.921 0.644 771 1HG PRO 96 HG2 PRO 96 -8.487 1.397 -1.952 772 2HG PRO 96 HG3 PRO 96 -9.629 0.973 -0.669 773 1HD PRO 96 HD2 PRO 96 -9.741 3.191 -2.638 774 2HD PRO 96 HD3 PRO 96 -11.057 2.247 -1.927 775 H VAL 97 HN VAL 97 -9.135 5.317 2.264 776 HA VAL 97 HA VAL 97 -7.545 7.289 0.778 777 HB VAL 97 HB VAL 97 -8.283 8.948 2.426 778 1HG1 VAL 97 HG11 VAL 97 -9.619 8.692 0.444 779 2HG1 VAL 97 HG12 VAL 97 -10.510 7.353 1.171 780 3HG1 VAL 97 HG13 VAL 97 -10.684 8.981 1.821 781 1HG2 VAL 97 HG21 VAL 97 -8.522 7.520 4.370 782 2HG2 VAL 97 HG22 VAL 97 -10.031 8.380 4.059 783 3HG2 VAL 97 HG23 VAL 97 -9.875 6.680 3.614 784 H HIS 98 HN HIS 98 -7.569 5.378 3.711 785 HA HIS 98 HA HIS 98 -4.790 6.222 4.198 786 1HB HIS 98 HB2 HIS 98 -6.846 5.586 6.336 787 2HB HIS 98 HB3 HIS 98 -5.148 5.934 6.623 788 HD1 HIS 98 HD1 HIS 98 -7.361 7.577 7.964 789 HD2 HIS 98 HD2 HIS 98 -5.497 8.636 4.408 790 HE1 HIS 98 HE1 HIS 98 -7.661 10.064 7.758 791 HE2 HIS 98 HE2 HIS 98 -6.294 10.709 5.741 792 H PHE 99 HN PHE 99 -3.467 4.585 5.198 793 HA PHE 99 HA PHE 99 -4.515 1.861 4.780 794 1HB PHE 99 HB2 PHE 99 -2.590 2.549 3.321 795 2HB PHE 99 HB3 PHE 99 -1.617 2.736 4.776 796 HD1 PHE 99 HD1 PHE 99 -0.507 0.916 5.707 797 HD2 PHE 99 HD2 PHE 99 -3.569 0.255 2.825 798 HE1 PHE 99 HE1 PHE 99 0.098 -1.467 5.619 799 HE2 PHE 99 HE2 PHE 99 -2.971 -2.130 2.733 800 HZ PHE 99 HZ PHE 99 -1.136 -2.993 4.099 801 H VAL 100 HN VAL 100 -4.844 0.736 6.558 802 HA VAL 100 HA VAL 100 -4.032 1.805 9.114 803 HB VAL 100 HB VAL 100 -5.649 -0.658 8.428 804 1HG1 VAL 100 HG11 VAL 100 -4.644 -0.842 10.637 805 2HG1 VAL 100 HG12 VAL 100 -5.302 0.736 11.079 806 3HG1 VAL 100 HG13 VAL 100 -6.388 -0.613 10.750 807 1HG2 VAL 100 HG21 VAL 100 -6.741 1.369 7.669 808 2HG2 VAL 100 HG22 VAL 100 -7.587 0.723 9.074 809 3HG2 VAL 100 HG23 VAL 100 -6.517 2.113 9.252 810 H GLY 101 HN GLY 101 -3.778 -1.401 7.588 811 1HA GLY 101 HA1 GLY 101 -1.073 -1.803 7.793 812 2HA GLY 101 HA2 GLY 101 -1.706 -2.274 9.364 813 H VAL 102 HN VAL 102 -0.503 -4.234 7.995 814 HA VAL 102 HA VAL 102 -2.577 -5.611 6.470 815 HB VAL 102 HB VAL 102 -0.992 -6.925 5.489 816 1HG1 VAL 102 HG11 VAL 102 0.550 -4.450 6.208 817 2HG1 VAL 102 HG12 VAL 102 0.965 -5.568 4.909 818 3HG1 VAL 102 HG13 VAL 102 -0.545 -4.661 4.842 819 1HG2 VAL 102 HG21 VAL 102 0.950 -6.479 7.745 820 2HG2 VAL 102 HG22 VAL 102 -0.114 -7.876 7.583 821 3HG2 VAL 102 HG23 VAL 102 1.137 -7.584 6.380 822 H GLY 103 HN GLY 103 -3.125 -7.793 6.911 823 1HA GLY 103 HA1 GLY 103 -3.183 -9.707 8.309 824 2HA GLY 103 HA2 GLY 103 -2.491 -8.753 9.612 825 H SER 104 HN SER 104 -4.110 -6.648 9.880 826 HA SER 104 HA SER 104 -6.888 -7.295 9.840 827 1HB SER 104 HB2 SER 104 -5.954 -8.755 11.715 828 2HB SER 104 HB3 SER 104 -5.608 -7.259 12.577 829 HG SER 104 HG SER 104 -7.584 -7.719 13.275 830 H CYS 105 HN CYS 105 -8.031 -5.679 11.458 831 HA CYS 105 HA CYS 105 -6.943 -3.043 10.852 832 1HB CYS 105 HB2 CYS 105 -9.578 -3.970 12.000 833 2HB CYS 105 HB3 CYS 105 -9.152 -2.268 11.833 Start of MODEL 14 1 1H MET 1 H1 MET 1 -4.985 16.633 5.361 2 2H MET 1 H2 MET 1 -3.786 16.282 4.208 3 3H MET 1 H3 MET 1 -4.025 15.244 5.529 4 HA MET 1 HA MET 1 -6.147 14.582 4.747 5 1HB MET 1 HB2 MET 1 -6.838 16.725 3.789 6 2HB MET 1 HB3 MET 1 -5.645 16.556 2.509 7 1HG MET 1 HG2 MET 1 -6.819 14.599 1.660 8 2HG MET 1 HG3 MET 1 -8.002 14.741 2.959 9 1HE MET 1 HE1 MET 1 -9.827 18.074 2.082 10 2HE MET 1 HE2 MET 1 -9.797 16.661 3.139 11 3HE MET 1 HE3 MET 1 -8.480 17.834 3.196 12 H GLN 2 HN GLN 2 -5.931 12.607 3.990 13 HA GLN 2 HA GLN 2 -4.067 12.125 1.749 14 1HB GLN 2 HB2 GLN 2 -4.783 10.292 4.056 15 2HB GLN 2 HB3 GLN 2 -3.824 9.811 2.664 16 1HG GLN 2 HG2 GLN 2 -3.044 12.037 4.530 17 2HG GLN 2 HG3 GLN 2 -2.524 10.367 4.728 18 1HE2 GLN 2 HE21 GLN 2 -2.262 13.244 2.781 19 2HE2 GLN 2 HE22 GLN 2 -0.844 12.763 1.911 20 H ASP 3 HN ASP 3 -4.882 10.874 0.058 21 HA ASP 3 HA ASP 3 -7.664 10.007 0.285 22 1HB ASP 3 HB2 ASP 3 -7.357 12.414 -0.656 23 2HB ASP 3 HB3 ASP 3 -6.848 11.577 -2.109 24 H TRP 4 HN TRP 4 -8.210 9.291 -2.213 25 HA TRP 4 HA TRP 4 -6.917 6.789 -2.387 26 1HB TRP 4 HB2 TRP 4 -9.222 7.088 -3.071 27 2HB TRP 4 HB3 TRP 4 -8.744 8.240 -4.312 28 HD1 TRP 4 HD1 TRP 4 -8.922 7.197 -6.610 29 HE1 TRP 4 HE1 TRP 4 -8.519 4.873 -7.644 30 HE3 TRP 4 HE3 TRP 4 -7.495 4.686 -2.398 31 HZ2 TRP 4 HZ2 TRP 4 -7.693 2.325 -6.778 32 HZ3 TRP 4 HZ3 TRP 4 -6.921 2.299 -2.583 33 HH2 TRP 4 HH2 TRP 4 -7.010 1.149 -4.735 34 H LEU 5 HN LEU 5 -6.521 9.799 -4.144 35 HA LEU 5 HA LEU 5 -4.859 8.859 -6.202 36 1HB LEU 5 HB2 LEU 5 -4.959 11.584 -4.904 37 2HB LEU 5 HB3 LEU 5 -4.084 11.222 -6.376 38 HG LEU 5 HG LEU 5 -6.070 12.264 -7.061 39 1HD1 LEU 5 HD11 LEU 5 -5.529 10.313 -8.389 40 2HD1 LEU 5 HD12 LEU 5 -6.494 9.295 -7.320 41 3HD1 LEU 5 HD13 LEU 5 -7.277 10.536 -8.299 42 1HD2 LEU 5 HD21 LEU 5 -8.305 11.572 -6.340 43 2HD2 LEU 5 HD22 LEU 5 -7.579 10.406 -5.236 44 3HD2 LEU 5 HD23 LEU 5 -7.318 12.132 -4.991 45 H THR 6 HN THR 6 -4.158 10.007 -2.946 46 HA THR 6 HA THR 6 -1.314 9.842 -3.261 47 HB THR 6 HB THR 6 -2.888 9.975 -0.684 48 HG1 THR 6 HG1 THR 6 -2.313 11.897 -2.654 49 1HG2 THR 6 HG21 THR 6 -0.083 10.857 -1.395 50 2HG2 THR 6 HG22 THR 6 -0.511 9.455 -0.413 51 3HG2 THR 6 HG23 THR 6 -0.865 11.081 0.171 52 H PHE 7 HN PHE 7 -3.867 7.861 -1.888 53 HA PHE 7 HA PHE 7 -2.349 5.885 -0.647 54 1HB PHE 7 HB2 PHE 7 -4.835 6.188 -0.485 55 2HB PHE 7 HB3 PHE 7 -4.981 5.511 -2.101 56 HD1 PHE 7 HD1 PHE 7 -4.613 4.824 1.405 57 HD2 PHE 7 HD2 PHE 7 -4.335 3.124 -2.489 58 HE1 PHE 7 HE1 PHE 7 -4.730 2.570 2.386 59 HE2 PHE 7 HE2 PHE 7 -4.452 0.865 -1.513 60 HZ PHE 7 HZ PHE 7 -4.652 0.587 0.925 61 H GLN 8 HN GLN 8 -3.462 6.187 -3.985 62 HA GLN 8 HA GLN 8 -2.653 3.733 -4.987 63 1HB GLN 8 HB2 GLN 8 -3.210 6.403 -6.107 64 2HB GLN 8 HB3 GLN 8 -2.257 5.325 -7.108 65 1HG GLN 8 HG2 GLN 8 -4.019 3.625 -6.927 66 2HG GLN 8 HG3 GLN 8 -4.980 4.757 -5.971 67 1HE2 GLN 8 HE21 GLN 8 -5.914 6.526 -6.976 68 2HE2 GLN 8 HE22 GLN 8 -6.050 6.653 -8.693 69 H LYS 9 HN LYS 9 -0.863 6.811 -5.247 70 HA LYS 9 HA LYS 9 1.365 5.793 -6.549 71 1HB LYS 9 HB2 LYS 9 1.234 8.095 -4.600 72 2HB LYS 9 HB3 LYS 9 2.501 7.828 -5.788 73 1HG LYS 9 HG2 LYS 9 1.009 8.240 -7.591 74 2HG LYS 9 HG3 LYS 9 -0.388 8.241 -6.509 75 1HD LYS 9 HD2 LYS 9 0.468 10.217 -5.389 76 2HD LYS 9 HD3 LYS 9 1.889 10.215 -6.433 77 1HE LYS 9 HE2 LYS 9 0.375 11.843 -7.289 78 2HE LYS 9 HE3 LYS 9 0.341 10.462 -8.385 79 1HZ LYS 9 HZ1 LYS 9 -1.660 10.988 -6.253 80 2HZ LYS 9 HZ2 LYS 9 -1.711 9.728 -7.389 81 3HZ LYS 9 HZ3 LYS 9 -1.879 11.337 -7.895 82 H LYS 10 HN LYS 10 0.514 5.700 -3.191 83 HA LYS 10 HA LYS 10 3.217 4.988 -2.375 84 1HB LYS 10 HB2 LYS 10 0.703 5.664 -0.893 85 2HB LYS 10 HB3 LYS 10 2.030 4.862 -0.067 86 1HG LYS 10 HG2 LYS 10 3.512 6.690 -0.556 87 2HG LYS 10 HG3 LYS 10 2.276 7.472 -1.545 88 1HD LYS 10 HD2 LYS 10 0.929 7.948 0.334 89 2HD LYS 10 HD3 LYS 10 1.841 6.843 1.363 90 1HE LYS 10 HE2 LYS 10 3.000 9.341 0.136 91 2HE LYS 10 HE3 LYS 10 2.307 9.274 1.754 92 1HZ LYS 10 HZ1 LYS 10 4.599 7.642 0.810 93 2HZ LYS 10 HZ2 LYS 10 3.946 7.627 2.371 94 3HZ LYS 10 HZ3 LYS 10 4.722 9.019 1.785 95 H HIS 11 HN HIS 11 0.269 3.313 -3.151 96 HA HIS 11 HA HIS 11 1.347 0.938 -1.778 97 1HB HIS 11 HB2 HIS 11 -1.539 1.821 -1.710 98 2HB HIS 11 HB3 HIS 11 -0.921 0.314 -1.048 99 HD1 HIS 11 HD1 HIS 11 1.026 0.746 0.902 100 HD2 HIS 11 HD2 HIS 11 -1.671 3.810 0.097 101 HE1 HIS 11 HE1 HIS 11 1.075 2.246 2.924 102 HE2 HIS 11 HE2 HIS 11 -0.706 3.985 2.487 103 H ILE 12 HN ILE 12 0.494 2.059 -4.757 104 HA ILE 12 HA ILE 12 -0.600 -0.569 -5.534 105 HB ILE 12 HB ILE 12 -0.835 2.064 -7.005 106 1HG1 ILE 12 HG12 ILE 12 -2.268 1.972 -5.039 107 2HG1 ILE 12 HG13 ILE 12 -3.239 1.859 -6.497 108 1HG2 ILE 12 HG21 ILE 12 -0.692 0.252 -8.586 109 2HG2 ILE 12 HG22 ILE 12 -1.909 -0.663 -7.697 110 3HG2 ILE 12 HG23 ILE 12 -2.355 0.836 -8.510 111 1HD1 ILE 12 HD11 ILE 12 -3.466 -0.538 -6.171 112 2HD1 ILE 12 HD12 ILE 12 -2.456 -0.447 -4.728 113 3HD1 ILE 12 HD13 ILE 12 -4.027 0.354 -4.757 114 H THR 13 HN THR 13 0.809 -1.902 -6.437 115 HA THR 13 HA THR 13 2.739 -0.815 -8.362 116 HB THR 13 HB THR 13 3.987 -1.141 -6.263 117 HG1 THR 13 HG1 THR 13 5.338 -3.053 -7.309 118 1HG2 THR 13 HG21 THR 13 2.652 -2.903 -5.249 119 2HG2 THR 13 HG22 THR 13 4.340 -3.405 -5.373 120 3HG2 THR 13 HG23 THR 13 3.145 -4.031 -6.515 121 H ASN 14 HN ASN 14 3.444 -2.340 -9.965 122 HA ASN 14 HA ASN 14 1.582 -4.603 -10.296 123 1HB ASN 14 HB2 ASN 14 3.048 -2.884 -12.281 124 2HB ASN 14 HB3 ASN 14 2.442 -4.470 -12.734 125 1HD2 ASN 14 HD21 ASN 14 1.770 -1.808 -13.663 126 2HD2 ASN 14 HD22 ASN 14 0.053 -1.662 -13.476 127 H THR 15 HN THR 15 4.597 -4.013 -9.254 128 HA THR 15 HA THR 15 5.560 -6.608 -10.250 129 HB THR 15 HB THR 15 6.955 -4.822 -11.146 130 HG1 THR 15 HG1 THR 15 8.914 -5.696 -10.490 131 1HG2 THR 15 HG21 THR 15 7.541 -4.085 -8.275 132 2HG2 THR 15 HG22 THR 15 6.551 -3.142 -9.386 133 3HG2 THR 15 HG23 THR 15 8.270 -3.362 -9.711 134 H ARG 16 HN ARG 16 6.402 -8.042 -8.803 135 HA ARG 16 HA ARG 16 5.558 -7.829 -6.098 136 1HB ARG 16 HB2 ARG 16 7.383 -9.815 -7.463 137 2HB ARG 16 HB3 ARG 16 6.871 -9.943 -5.787 138 1HG ARG 16 HG2 ARG 16 5.030 -9.930 -8.159 139 2HG ARG 16 HG3 ARG 16 5.543 -11.360 -7.253 140 1HD ARG 16 HD2 ARG 16 4.111 -9.003 -6.060 141 2HD ARG 16 HD3 ARG 16 3.312 -10.486 -6.582 142 HE ARG 16 HE ARG 16 4.771 -11.621 -4.872 143 1HH1 ARG 16 HH12 ARG 16 3.964 -8.231 -4.574 144 2HH1 ARG 16 HH11 ARG 16 4.061 -8.221 -2.847 145 1HH2 ARG 16 HH22 ARG 16 4.820 -11.636 -2.577 146 2HH2 ARG 16 HH21 ARG 16 4.544 -10.152 -1.712 147 H ASP 17 HN ASP 17 8.771 -7.769 -7.610 148 HA ASP 17 HA ASP 17 9.909 -6.804 -5.096 149 1HB ASP 17 HB2 ASP 17 11.063 -8.564 -6.556 150 2HB ASP 17 HB3 ASP 17 11.380 -7.267 -7.700 151 H VAL 18 HN VAL 18 8.675 -4.834 -5.188 152 HA VAL 18 HA VAL 18 8.918 -3.005 -7.326 153 HB VAL 18 HB VAL 18 7.062 -2.607 -5.960 154 1HG1 VAL 18 HG11 VAL 18 8.880 -2.550 -3.561 155 2HG1 VAL 18 HG12 VAL 18 7.145 -2.225 -3.544 156 3HG1 VAL 18 HG13 VAL 18 7.739 -3.827 -3.983 157 1HG2 VAL 18 HG21 VAL 18 7.385 -0.347 -5.011 158 2HG2 VAL 18 HG22 VAL 18 9.128 -0.539 -5.214 159 3HG2 VAL 18 HG23 VAL 18 8.070 -0.522 -6.626 160 H ASP 19 HN ASP 19 10.245 -1.265 -7.636 161 HA ASP 19 HA ASP 19 12.891 -1.559 -6.641 162 1HB ASP 19 HB2 ASP 19 12.320 -0.805 -8.954 163 2HB ASP 19 HB3 ASP 19 11.746 0.712 -8.272 164 H CYS 20 HN CYS 20 12.327 -1.348 -4.394 165 HA CYS 20 HA CYS 20 11.215 0.796 -3.111 166 1HB CYS 20 HB2 CYS 20 13.561 -0.806 -2.085 167 2HB CYS 20 HB3 CYS 20 12.366 0.060 -1.123 168 H ASP 21 HN ASP 21 14.715 0.374 -3.749 169 HA ASP 21 HA ASP 21 15.527 2.585 -2.234 170 1HB ASP 21 HB2 ASP 21 17.042 0.779 -2.938 171 2HB ASP 21 HB3 ASP 21 16.930 1.335 -4.605 172 H ASN 22 HN ASN 22 14.679 2.360 -5.644 173 HA ASN 22 HA ASN 22 15.499 5.080 -6.179 174 1HB ASN 22 HB2 ASN 22 15.674 3.228 -7.853 175 2HB ASN 22 HB3 ASN 22 13.921 3.181 -7.920 176 1HD2 ASN 22 HD21 ASN 22 13.799 3.712 -10.057 177 2HD2 ASN 22 HD22 ASN 22 14.209 5.276 -10.673 178 H ILE 23 HN ILE 23 12.423 3.315 -6.156 179 HA ILE 23 HA ILE 23 10.784 5.511 -6.719 180 HB ILE 23 HB ILE 23 10.182 2.922 -5.293 181 1HG1 ILE 23 HG12 ILE 23 9.670 3.884 -8.113 182 2HG1 ILE 23 HG13 ILE 23 10.901 2.726 -7.622 183 1HG2 ILE 23 HG21 ILE 23 8.199 4.937 -6.341 184 2HG2 ILE 23 HG22 ILE 23 7.823 3.359 -5.645 185 3HG2 ILE 23 HG23 ILE 23 8.535 4.621 -4.639 186 1HD1 ILE 23 HD11 ILE 23 9.164 1.163 -6.936 187 2HD1 ILE 23 HD12 ILE 23 7.926 2.327 -7.409 188 3HD1 ILE 23 HD13 ILE 23 8.986 1.624 -8.629 189 H LEU 24 HN LEU 24 11.942 4.229 -3.625 190 HA LEU 24 HA LEU 24 10.333 5.926 -2.012 191 1HB LEU 24 HB2 LEU 24 12.546 4.012 -1.600 192 2HB LEU 24 HB3 LEU 24 12.293 5.204 -0.344 193 HG LEU 24 HG LEU 24 10.302 4.294 0.312 194 1HD1 LEU 24 HD11 LEU 24 9.951 2.845 -2.291 195 2HD1 LEU 24 HD12 LEU 24 8.778 3.016 -0.977 196 3HD1 LEU 24 HD13 LEU 24 9.244 4.424 -1.938 197 1HD2 LEU 24 HD21 LEU 24 12.072 2.690 0.696 198 2HD2 LEU 24 HD22 LEU 24 10.540 1.872 0.389 199 3HD2 LEU 24 HD23 LEU 24 11.763 1.959 -0.880 200 H SER 25 HN SER 25 13.109 6.587 -3.827 201 HA SER 25 HA SER 25 14.277 8.452 -1.956 202 1HB SER 25 HB2 SER 25 15.908 8.928 -3.658 203 2HB SER 25 HB3 SER 25 15.626 7.188 -3.675 204 HG SER 25 HG SER 25 14.405 7.408 -5.514 205 H THR 26 HN THR 26 11.603 8.513 -3.863 206 HA THR 26 HA THR 26 11.726 11.214 -4.825 207 HB THR 26 HB THR 26 9.352 10.881 -5.414 208 HG1 THR 26 HG1 THR 26 9.480 8.195 -4.583 209 1HG2 THR 26 HG21 THR 26 11.083 8.510 -6.141 210 2HG2 THR 26 HG22 THR 26 11.110 10.084 -6.939 211 3HG2 THR 26 HG23 THR 26 9.667 9.077 -7.026 212 H ASN 27 HN ASN 27 9.927 12.766 -4.197 213 HA ASN 27 HA ASN 27 10.099 13.305 -1.397 214 1HB ASN 27 HB2 ASN 27 9.916 15.064 -3.164 215 2HB ASN 27 HB3 ASN 27 8.256 14.557 -3.451 216 1HD2 ASN 27 HD21 ASN 27 10.437 16.130 -1.266 217 2HD2 ASN 27 HD22 ASN 27 9.225 16.871 -0.265 218 H LEU 28 HN LEU 28 7.936 11.619 -3.432 219 HA LEU 28 HA LEU 28 5.546 11.658 -2.001 220 1HB LEU 28 HB2 LEU 28 5.785 10.785 -4.271 221 2HB LEU 28 HB3 LEU 28 6.762 9.460 -3.674 222 HG LEU 28 HG LEU 28 4.761 8.686 -2.367 223 1HD1 LEU 28 HD11 LEU 28 3.350 10.743 -4.059 224 2HD1 LEU 28 HD12 LEU 28 2.568 9.515 -3.063 225 3HD1 LEU 28 HD13 LEU 28 3.531 10.786 -2.304 226 1HD2 LEU 28 HD21 LEU 28 4.514 8.850 -5.364 227 2HD2 LEU 28 HD22 LEU 28 5.411 7.637 -4.454 228 3HD2 LEU 28 HD23 LEU 28 3.654 7.713 -4.327 229 H PHE 29 HN PHE 29 8.478 9.810 -1.491 230 HA PHE 29 HA PHE 29 7.185 8.485 0.798 231 1HB PHE 29 HB2 PHE 29 9.625 7.617 -0.761 232 2HB PHE 29 HB3 PHE 29 8.972 6.784 0.648 233 HD1 PHE 29 HD1 PHE 29 8.631 7.400 -2.893 234 HD2 PHE 29 HD2 PHE 29 6.790 5.652 0.516 235 HE1 PHE 29 HE1 PHE 29 7.124 6.141 -4.363 236 HE2 PHE 29 HE2 PHE 29 5.276 4.381 -0.949 237 HZ PHE 29 HZ PHE 29 5.439 4.626 -3.394 238 H HIS 30 HN HIS 30 10.013 10.249 -0.303 239 HA HIS 30 HA HIS 30 11.412 11.671 0.778 240 1HB HIS 30 HB2 HIS 30 9.097 12.232 1.876 241 2HB HIS 30 HB3 HIS 30 9.785 11.440 3.286 242 HD1 HIS 30 HD1 HIS 30 10.806 13.038 4.856 243 HD2 HIS 30 HD2 HIS 30 11.042 14.371 0.923 244 HE1 HIS 30 HE1 HIS 30 11.885 15.307 4.970 245 HE2 HIS 30 HE2 HIS 30 11.823 16.177 2.607 246 H CYS 31 HN CYS 31 11.850 8.853 0.802 247 HA CYS 31 HA CYS 31 12.976 7.154 1.773 248 1HB CYS 31 HB2 CYS 31 14.458 9.381 3.198 249 2HB CYS 31 HB3 CYS 31 15.020 7.729 2.992 250 H LYS 32 HN LYS 32 10.788 6.882 2.863 251 HA LYS 32 HA LYS 32 10.573 7.449 5.660 252 1HB LYS 32 HB2 LYS 32 8.446 6.545 5.528 253 2HB LYS 32 HB3 LYS 32 8.705 7.082 3.875 254 1HG LYS 32 HG2 LYS 32 9.100 4.263 4.856 255 2HG LYS 32 HG3 LYS 32 7.669 4.855 4.018 256 1HD LYS 32 HD2 LYS 32 8.778 5.041 1.994 257 2HD LYS 32 HD3 LYS 32 10.364 5.161 2.759 258 1HE LYS 32 HE2 LYS 32 8.666 2.685 2.767 259 2HE LYS 32 HE3 LYS 32 9.940 3.006 1.593 260 1HZ LYS 32 HZ1 LYS 32 10.325 2.818 4.531 261 2HZ LYS 32 HZ2 LYS 32 11.543 3.077 3.389 262 3HZ LYS 32 HZ3 LYS 32 10.707 1.603 3.418 263 H ASP 33 HN ASP 33 10.117 5.692 7.253 264 HA ASP 33 HA ASP 33 12.238 3.875 7.552 265 1HB ASP 33 HB2 ASP 33 11.008 4.655 9.473 266 2HB ASP 33 HB3 ASP 33 9.499 4.019 8.834 267 H LYS 34 HN LYS 34 8.792 3.100 6.932 268 HA LYS 34 HA LYS 34 9.638 1.110 4.986 269 1HB LYS 34 HB2 LYS 34 7.911 -0.520 6.058 270 2HB LYS 34 HB3 LYS 34 9.563 -0.453 6.643 271 1HG LYS 34 HG2 LYS 34 8.197 -0.572 8.533 272 2HG LYS 34 HG3 LYS 34 8.750 1.096 8.437 273 1HD LYS 34 HD2 LYS 34 6.609 1.767 7.489 274 2HD LYS 34 HD3 LYS 34 6.058 0.088 7.520 275 1HE LYS 34 HE2 LYS 34 5.193 1.355 9.426 276 2HE LYS 34 HE3 LYS 34 6.258 0.048 9.941 277 1HZ LYS 34 HZ1 LYS 34 6.861 1.926 11.197 278 2HZ LYS 34 HZ2 LYS 34 6.852 2.950 9.845 279 3HZ LYS 34 HZ3 LYS 34 8.071 1.779 10.015 280 H ASN 35 HN ASN 35 7.879 0.298 3.673 281 HA ASN 35 HA ASN 35 5.384 1.755 3.698 282 1HB ASN 35 HB2 ASN 35 6.898 3.348 2.510 283 2HB ASN 35 HB3 ASN 35 7.276 2.103 1.343 284 1HD2 ASN 35 HD21 ASN 35 5.650 1.424 -0.108 285 2HD2 ASN 35 HD22 ASN 35 4.275 2.421 -0.446 286 H THR 36 HN THR 36 3.963 0.198 3.327 287 HA THR 36 HA THR 36 4.774 -2.197 1.906 288 HB THR 36 HB THR 36 2.113 -1.653 3.224 289 HG1 THR 36 HG1 THR 36 4.631 -2.161 4.305 290 1HG2 THR 36 HG21 THR 36 3.585 -4.224 2.614 291 2HG2 THR 36 HG22 THR 36 2.191 -3.601 1.729 292 3HG2 THR 36 HG23 THR 36 2.017 -4.093 3.415 293 H PHE 37 HN PHE 37 4.542 -2.278 -0.210 294 HA PHE 37 HA PHE 37 2.407 -0.826 -1.576 295 1HB PHE 37 HB2 PHE 37 4.615 -2.591 -2.669 296 2HB PHE 37 HB3 PHE 37 3.479 -1.668 -3.640 297 HD1 PHE 37 HD1 PHE 37 6.238 -1.360 -1.197 298 HD2 PHE 37 HD2 PHE 37 3.888 0.576 -4.172 299 HE1 PHE 37 HE1 PHE 37 7.804 0.540 -1.193 300 HE2 PHE 37 HE2 PHE 37 5.448 2.476 -4.172 301 HZ PHE 37 HZ PHE 37 7.411 2.453 -2.687 302 H ILE 38 HN ILE 38 1.027 -1.942 -3.089 303 HA ILE 38 HA ILE 38 0.432 -4.714 -2.290 304 HB ILE 38 HB ILE 38 -1.501 -2.604 -3.280 305 1HG1 ILE 38 HG12 ILE 38 -1.362 -3.830 -0.523 306 2HG1 ILE 38 HG13 ILE 38 -0.552 -2.322 -0.932 307 1HG2 ILE 38 HG21 ILE 38 -3.247 -4.221 -2.771 308 2HG2 ILE 38 HG22 ILE 38 -2.111 -4.893 -3.941 309 3HG2 ILE 38 HG23 ILE 38 -2.034 -5.394 -2.251 310 1HD1 ILE 38 HD11 ILE 38 -2.684 -1.309 -1.483 311 2HD1 ILE 38 HD12 ILE 38 -3.512 -2.826 -1.119 312 3HD1 ILE 38 HD13 ILE 38 -2.687 -1.939 0.163 313 H TYR 39 HN TYR 39 0.856 -6.116 -3.845 314 HA TYR 39 HA TYR 39 1.142 -5.320 -6.594 315 1HB TYR 39 HB2 TYR 39 2.615 -7.030 -5.750 316 2HB TYR 39 HB3 TYR 39 1.259 -8.006 -5.214 317 HD1 TYR 39 HD1 TYR 39 2.848 -6.637 -8.291 318 HD2 TYR 39 HD2 TYR 39 0.402 -9.672 -6.588 319 HE1 TYR 39 HE1 TYR 39 2.904 -7.872 -10.416 320 HE2 TYR 39 HE2 TYR 39 0.449 -10.910 -8.707 321 HH TYR 39 HH TYR 39 2.630 -10.254 -11.162 322 H SER 40 HN SER 40 -0.834 -4.517 -7.123 323 HA SER 40 HA SER 40 -2.773 -6.227 -8.193 324 1HB SER 40 HB2 SER 40 -3.344 -6.641 -5.798 325 2HB SER 40 HB3 SER 40 -3.573 -4.909 -5.570 326 HG SER 40 HG SER 40 -5.426 -4.991 -6.618 327 H ARG 41 HN ARG 41 -4.488 -4.959 -9.221 328 HA ARG 41 HA ARG 41 -3.659 -2.308 -9.884 329 1HB ARG 41 HB2 ARG 41 -6.252 -3.725 -10.461 330 2HB ARG 41 HB3 ARG 41 -5.805 -2.179 -11.131 331 1HG ARG 41 HG2 ARG 41 -4.471 -4.821 -11.590 332 2HG ARG 41 HG3 ARG 41 -5.452 -3.904 -12.736 333 1HD ARG 41 HD2 ARG 41 -2.772 -3.162 -11.601 334 2HD ARG 41 HD3 ARG 41 -3.193 -3.554 -13.252 335 HE ARG 41 HE ARG 41 -4.685 -1.440 -12.988 336 1HH1 ARG 41 HH12 ARG 41 -1.439 -1.935 -11.772 337 2HH1 ARG 41 HH11 ARG 41 -1.010 -0.250 -11.851 338 1HH2 ARG 41 HH22 ARG 41 -4.149 0.769 -13.069 339 2HH2 ARG 41 HH21 ARG 41 -2.562 1.300 -12.568 340 HA PRO 42 HA PRO 42 -5.705 0.072 -6.797 341 1HB PRO 42 HB2 PRO 42 -6.679 2.157 -8.275 342 2HB PRO 42 HB3 PRO 42 -4.987 2.001 -7.795 343 1HG PRO 42 HG2 PRO 42 -6.285 1.344 -10.402 344 2HG PRO 42 HG3 PRO 42 -4.717 2.110 -10.092 345 1HD PRO 42 HD2 PRO 42 -4.953 -0.498 -10.771 346 2HD PRO 42 HD3 PRO 42 -3.673 0.095 -9.692 347 H GLU 43 HN GLU 43 -7.445 -0.944 -9.654 348 HA GLU 43 HA GLU 43 -9.974 0.065 -8.880 349 1HB GLU 43 HB2 GLU 43 -9.174 -2.070 -10.841 350 2HB GLU 43 HB3 GLU 43 -10.820 -1.511 -10.637 351 1HG GLU 43 HG2 GLU 43 -8.448 0.037 -11.619 352 2HG GLU 43 HG3 GLU 43 -9.929 -0.355 -12.489 353 HA PRO 44 HA PRO 44 -10.891 -4.489 -7.350 354 1HB PRO 44 HB2 PRO 44 -8.648 -5.956 -6.770 355 2HB PRO 44 HB3 PRO 44 -9.549 -6.076 -8.283 356 1HG PRO 44 HG2 PRO 44 -7.053 -4.532 -7.680 357 2HG PRO 44 HG3 PRO 44 -7.449 -5.512 -9.105 358 1HD PRO 44 HD2 PRO 44 -7.632 -2.839 -9.160 359 2HD PRO 44 HD3 PRO 44 -8.791 -3.859 -10.013 360 H VAL 45 HN VAL 45 -8.292 -2.464 -6.269 361 HA VAL 45 HA VAL 45 -8.584 -3.292 -3.492 362 HB VAL 45 HB VAL 45 -6.840 -1.143 -4.722 363 1HG1 VAL 45 HG11 VAL 45 -7.410 -0.591 -2.409 364 2HG1 VAL 45 HG12 VAL 45 -6.872 -2.189 -1.891 365 3HG1 VAL 45 HG13 VAL 45 -5.711 -1.042 -2.558 366 1HG2 VAL 45 HG21 VAL 45 -6.174 -3.387 -5.363 367 2HG2 VAL 45 HG22 VAL 45 -5.004 -2.696 -4.237 368 3HG2 VAL 45 HG23 VAL 45 -6.175 -3.889 -3.672 369 H LYS 46 HN LYS 46 -9.424 -0.634 -5.614 370 HA LYS 46 HA LYS 46 -10.565 1.042 -3.621 371 1HB LYS 46 HB2 LYS 46 -9.852 1.700 -5.964 372 2HB LYS 46 HB3 LYS 46 -11.310 0.913 -6.545 373 1HG LYS 46 HG2 LYS 46 -12.674 2.458 -5.255 374 2HG LYS 46 HG3 LYS 46 -11.214 3.240 -4.640 375 1HD LYS 46 HD2 LYS 46 -10.574 3.765 -6.972 376 2HD LYS 46 HD3 LYS 46 -12.113 3.097 -7.515 377 1HE LYS 46 HE2 LYS 46 -13.287 4.768 -6.146 378 2HE LYS 46 HE3 LYS 46 -11.732 5.448 -5.668 379 1HZ LYS 46 HZ1 LYS 46 -12.775 6.671 -7.496 380 2HZ LYS 46 HZ2 LYS 46 -12.725 5.280 -8.463 381 3HZ LYS 46 HZ3 LYS 46 -11.281 6.010 -7.950 382 H ALA 47 HN ALA 47 -11.666 -1.652 -5.521 383 HA ALA 47 HA ALA 47 -14.444 -1.396 -5.108 384 1HB ALA 47 HB1 ALA 47 -12.829 -3.894 -5.626 385 2HB ALA 47 HB2 ALA 47 -14.574 -3.722 -5.824 386 3HB ALA 47 HB3 ALA 47 -13.475 -2.809 -6.859 387 H ILE 48 HN ILE 48 -11.909 -2.362 -3.013 388 HA ILE 48 HA ILE 48 -13.367 -4.033 -1.249 389 HB ILE 48 HB ILE 48 -11.025 -2.242 -0.541 390 1HG1 ILE 48 HG12 ILE 48 -10.977 -5.126 -1.463 391 2HG1 ILE 48 HG13 ILE 48 -10.631 -3.756 -2.515 392 1HG2 ILE 48 HG21 ILE 48 -12.200 -3.144 1.393 393 2HG2 ILE 48 HG22 ILE 48 -12.075 -4.772 0.727 394 3HG2 ILE 48 HG23 ILE 48 -10.618 -3.905 1.215 395 1HD1 ILE 48 HD11 ILE 48 -9.094 -4.478 -0.035 396 2HD1 ILE 48 HD12 ILE 48 -8.602 -4.832 -1.692 397 3HD1 ILE 48 HD13 ILE 48 -8.730 -3.160 -1.148 398 H CYS 49 HN CYS 49 -13.006 -0.579 -1.617 399 HA CYS 49 HA CYS 49 -14.491 -0.087 0.850 400 1HB CYS 49 HB2 CYS 49 -13.016 1.769 -1.019 401 2HB CYS 49 HB3 CYS 49 -13.809 2.265 0.470 402 H LYS 50 HN LYS 50 -15.360 -0.828 -2.143 403 HA LYS 50 HA LYS 50 -17.060 1.262 -2.971 404 1HB LYS 50 HB2 LYS 50 -16.381 -0.578 -4.468 405 2HB LYS 50 HB3 LYS 50 -17.338 -1.700 -3.509 406 1HG LYS 50 HG2 LYS 50 -19.367 -0.451 -4.077 407 2HG LYS 50 HG3 LYS 50 -18.403 0.652 -5.060 408 1HD LYS 50 HD2 LYS 50 -18.601 -2.322 -5.528 409 2HD LYS 50 HD3 LYS 50 -19.577 -1.115 -6.364 410 1HE LYS 50 HE2 LYS 50 -17.541 -0.086 -7.251 411 2HE LYS 50 HE3 LYS 50 -16.567 -1.295 -6.413 412 1HZ LYS 50 HZ1 LYS 50 -16.923 -1.826 -8.767 413 2HZ LYS 50 HZ2 LYS 50 -18.597 -1.902 -8.498 414 3HZ LYS 50 HZ3 LYS 50 -17.565 -3.015 -7.741 415 H GLY 51 HN GLY 51 -18.804 2.011 -2.047 416 1HA GLY 51 HA1 GLY 51 -21.016 1.773 -1.246 417 2HA GLY 51 HA2 GLY 51 -20.603 0.176 -0.641 418 H ILE 52 HN ILE 52 -18.093 2.197 0.145 419 HA ILE 52 HA ILE 52 -19.212 2.583 2.852 420 HB ILE 52 HB ILE 52 -16.278 2.495 2.193 421 1HG1 ILE 52 HG12 ILE 52 -17.278 0.386 1.420 422 2HG1 ILE 52 HG13 ILE 52 -16.254 0.138 2.824 423 1HG2 ILE 52 HG21 ILE 52 -17.818 2.024 4.739 424 2HG2 ILE 52 HG22 ILE 52 -16.065 1.913 4.560 425 3HG2 ILE 52 HG23 ILE 52 -16.880 3.461 4.330 426 1HD1 ILE 52 HD11 ILE 52 -19.255 0.274 2.842 427 2HD1 ILE 52 HD12 ILE 52 -18.280 -1.192 2.937 428 3HD1 ILE 52 HD13 ILE 52 -18.223 -0.009 4.245 429 H ILE 53 HN ILE 53 -20.018 4.689 2.626 430 HA ILE 53 HA ILE 53 -18.406 6.724 1.388 431 HB ILE 53 HB ILE 53 -21.137 6.758 2.651 432 1HG1 ILE 53 HG12 ILE 53 -21.853 7.333 0.389 433 2HG1 ILE 53 HG13 ILE 53 -20.190 7.358 -0.159 434 1HG2 ILE 53 HG21 ILE 53 -19.646 9.118 1.507 435 2HG2 ILE 53 HG22 ILE 53 -21.335 9.109 2.013 436 3HG2 ILE 53 HG23 ILE 53 -20.055 8.877 3.205 437 1HD1 ILE 53 HD11 ILE 53 -21.674 4.938 0.825 438 2HD1 ILE 53 HD12 ILE 53 -21.360 5.349 -0.863 439 3HD1 ILE 53 HD13 ILE 53 -20.017 4.976 0.218 440 H ALA 54 HN ALA 54 -19.578 6.064 4.691 441 HA ALA 54 HA ALA 54 -18.000 8.254 5.755 442 1HB ALA 54 HB1 ALA 54 -20.173 7.702 6.761 443 2HB ALA 54 HB2 ALA 54 -19.552 6.117 7.217 444 3HB ALA 54 HB3 ALA 54 -18.860 7.574 7.931 445 H SER 55 HN SER 55 -16.148 8.061 6.983 446 HA SER 55 HA SER 55 -14.267 6.176 6.313 447 1HB SER 55 HB2 SER 55 -14.530 8.274 8.325 448 2HB SER 55 HB3 SER 55 -13.459 6.964 8.827 449 HG SER 55 HG SER 55 -13.227 8.783 6.705 450 H LYS 56 HN LYS 56 -14.230 4.106 6.600 451 HA LYS 56 HA LYS 56 -15.073 2.951 9.167 452 1HB LYS 56 HB2 LYS 56 -16.951 2.844 7.543 453 2HB LYS 56 HB3 LYS 56 -15.921 1.942 6.447 454 1HG LYS 56 HG2 LYS 56 -15.760 0.143 8.131 455 2HG LYS 56 HG3 LYS 56 -16.886 1.044 9.154 456 1HD LYS 56 HD2 LYS 56 -18.536 0.984 7.308 457 2HD LYS 56 HD3 LYS 56 -17.422 -0.016 6.380 458 1HE LYS 56 HE2 LYS 56 -17.520 -1.730 8.141 459 2HE LYS 56 HE3 LYS 56 -18.664 -0.728 9.036 460 1HZ LYS 56 HZ1 LYS 56 -20.148 -0.857 7.060 461 2HZ LYS 56 HZ2 LYS 56 -19.892 -2.349 7.818 462 3HZ LYS 56 HZ3 LYS 56 -19.082 -1.982 6.375 463 H ASN 57 HN ASN 57 -13.806 1.302 9.848 464 HA ASN 57 HA ASN 57 -11.448 0.635 8.304 465 1HB ASN 57 HB2 ASN 57 -12.373 -0.332 11.024 466 2HB ASN 57 HB3 ASN 57 -10.798 -0.659 10.311 467 1HD2 ASN 57 HD21 ASN 57 -9.242 0.898 10.359 468 2HD2 ASN 57 HD22 ASN 57 -9.413 2.397 11.201 469 H VAL 58 HN VAL 58 -11.644 -0.873 6.730 470 HA VAL 58 HA VAL 58 -13.301 -3.229 7.342 471 HB VAL 58 HB VAL 58 -14.074 -3.383 5.119 472 1HG1 VAL 58 HG11 VAL 58 -15.293 -1.765 6.417 473 2HG1 VAL 58 HG12 VAL 58 -14.171 -0.495 5.925 474 3HG1 VAL 58 HG13 VAL 58 -15.221 -1.255 4.730 475 1HG2 VAL 58 HG21 VAL 58 -12.221 -1.142 4.369 476 2HG2 VAL 58 HG22 VAL 58 -12.010 -2.843 3.955 477 3HG2 VAL 58 HG23 VAL 58 -13.373 -1.938 3.298 478 H LEU 59 HN LEU 59 -12.417 -5.188 7.020 479 HA LEU 59 HA LEU 59 -9.647 -5.288 6.105 480 1HB LEU 59 HB2 LEU 59 -10.178 -6.262 8.292 481 2HB LEU 59 HB3 LEU 59 -11.335 -7.341 7.532 482 HG LEU 59 HG LEU 59 -9.409 -8.264 6.182 483 1HD1 LEU 59 HD11 LEU 59 -7.782 -6.585 6.373 484 2HD1 LEU 59 HD12 LEU 59 -7.896 -6.559 8.132 485 3HD1 LEU 59 HD13 LEU 59 -7.176 -7.947 7.316 486 1HD2 LEU 59 HD21 LEU 59 -10.354 -9.517 7.988 487 2HD2 LEU 59 HD22 LEU 59 -8.598 -9.662 8.047 488 3HD2 LEU 59 HD23 LEU 59 -9.431 -8.589 9.174 489 H THR 60 HN THR 60 -8.979 -6.531 4.398 490 HA THR 60 HA THR 60 -10.898 -7.431 2.486 491 HB THR 60 HB THR 60 -8.950 -8.308 1.245 492 HG1 THR 60 HG1 THR 60 -7.332 -8.909 2.479 493 1HG2 THR 60 HG21 THR 60 -8.509 -5.553 2.399 494 2HG2 THR 60 HG22 THR 60 -9.535 -5.950 1.019 495 3HG2 THR 60 HG23 THR 60 -7.788 -6.175 0.914 496 H THR 61 HN THR 61 -11.517 -9.479 1.981 497 HA THR 61 HA THR 61 -11.484 -11.390 4.107 498 HB THR 61 HB THR 61 -12.840 -12.745 2.449 499 HG1 THR 61 HG1 THR 61 -12.468 -12.041 0.458 500 1HG2 THR 61 HG21 THR 61 -13.737 -9.928 3.082 501 2HG2 THR 61 HG22 THR 61 -13.919 -11.342 4.124 502 3HG2 THR 61 HG23 THR 61 -14.803 -11.252 2.600 503 H SER 62 HN SER 62 -9.657 -10.888 1.251 504 HA SER 62 HA SER 62 -8.487 -13.579 1.458 505 1HB SER 62 HB2 SER 62 -8.648 -11.887 -1.044 506 2HB SER 62 HB3 SER 62 -8.127 -13.569 -0.926 507 HG SER 62 HG SER 62 -10.453 -12.902 -1.565 508 H GLU 63 HN GLU 63 -6.198 -13.722 0.846 509 HA GLU 63 HA GLU 63 -4.742 -11.408 1.824 510 1HB GLU 63 HB2 GLU 63 -3.632 -14.076 0.927 511 2HB GLU 63 HB3 GLU 63 -2.776 -12.823 1.806 512 1HG GLU 63 HG2 GLU 63 -4.286 -13.121 3.708 513 2HG GLU 63 HG3 GLU 63 -5.109 -14.407 2.838 514 H PHE 64 HN PHE 64 -3.508 -10.081 0.667 515 HA PHE 64 HA PHE 64 -3.411 -10.509 -2.240 516 1HB PHE 64 HB2 PHE 64 -3.320 -7.998 -0.576 517 2HB PHE 64 HB3 PHE 64 -2.875 -8.013 -2.276 518 HD1 PHE 64 HD1 PHE 64 -4.514 -8.030 -3.973 519 HD2 PHE 64 HD2 PHE 64 -5.655 -8.583 0.089 520 HE1 PHE 64 HE1 PHE 64 -6.876 -7.751 -4.600 521 HE2 PHE 64 HE2 PHE 64 -8.018 -8.299 -0.532 522 HZ PHE 64 HZ PHE 64 -8.630 -7.884 -2.878 523 H TYR 65 HN TYR 65 -1.430 -9.550 -3.270 524 HA TYR 65 HA TYR 65 0.869 -10.649 -1.879 525 1HB TYR 65 HB2 TYR 65 0.590 -9.563 -4.688 526 2HB TYR 65 HB3 TYR 65 2.023 -10.359 -4.043 527 HD1 TYR 65 HD1 TYR 65 -1.283 -10.808 -5.439 528 HD2 TYR 65 HD2 TYR 65 1.944 -12.769 -3.479 529 HE1 TYR 65 HE1 TYR 65 -2.189 -12.979 -6.141 530 HE2 TYR 65 HE2 TYR 65 1.041 -14.952 -4.173 531 HH TYR 65 HH TYR 65 -1.064 -15.945 -4.872 532 H LEU 66 HN LEU 66 1.788 -9.320 -0.472 533 HA LEU 66 HA LEU 66 1.801 -6.449 -1.051 534 1HB LEU 66 HB2 LEU 66 2.385 -7.854 1.551 535 2HB LEU 66 HB3 LEU 66 2.138 -6.133 1.316 536 HG LEU 66 HG LEU 66 0.046 -8.261 0.896 537 1HD1 LEU 66 HD11 LEU 66 -0.996 -7.320 2.905 538 2HD1 LEU 66 HD12 LEU 66 0.586 -8.025 3.240 539 3HD1 LEU 66 HD13 LEU 66 0.406 -6.273 3.125 540 1HD2 LEU 66 HD21 LEU 66 -0.312 -6.373 -0.567 541 2HD2 LEU 66 HD22 LEU 66 -1.509 -6.367 0.726 542 3HD2 LEU 66 HD23 LEU 66 -0.140 -5.255 0.788 543 H SER 67 HN SER 67 3.654 -5.243 -0.972 544 HA SER 67 HA SER 67 6.205 -6.678 -0.612 545 1HB SER 67 HB2 SER 67 5.691 -4.483 -2.638 546 2HB SER 67 HB3 SER 67 7.168 -5.424 -2.442 547 HG SER 67 HG SER 67 6.310 -6.690 -3.860 548 H ASP 68 HN ASP 68 7.046 -5.845 1.215 549 HA ASP 68 HA ASP 68 6.395 -3.051 1.865 550 1HB ASP 68 HB2 ASP 68 5.659 -4.810 3.462 551 2HB ASP 68 HB3 ASP 68 7.346 -5.251 3.707 552 H CYS 69 HN CYS 69 7.962 -1.645 1.446 553 HA CYS 69 HA CYS 69 10.711 -2.599 1.277 554 1HB CYS 69 HB2 CYS 69 9.494 0.097 0.657 555 2HB CYS 69 HB3 CYS 69 11.177 -0.337 0.378 556 H ASN 70 HN ASN 70 12.012 -2.522 2.954 557 HA ASN 70 HA ASN 70 11.443 -0.568 5.098 558 1HB ASN 70 HB2 ASN 70 12.476 -3.403 5.289 559 2HB ASN 70 HB3 ASN 70 12.521 -2.257 6.621 560 1HD2 ASN 70 HD21 ASN 70 10.413 -4.081 4.500 561 2HD2 ASN 70 HD22 ASN 70 9.014 -3.997 5.519 562 H VAL 71 HN VAL 71 13.143 0.377 6.141 563 HA VAL 71 HA VAL 71 15.529 0.765 4.621 564 HB VAL 71 HB VAL 71 14.432 2.514 6.009 565 1HG1 VAL 71 HG11 VAL 71 15.522 0.962 8.345 566 2HG1 VAL 71 HG12 VAL 71 14.793 2.566 8.420 567 3HG1 VAL 71 HG13 VAL 71 13.820 1.175 7.935 568 1HG2 VAL 71 HG21 VAL 71 16.472 3.504 6.900 569 2HG2 VAL 71 HG22 VAL 71 17.295 1.948 6.765 570 3HG2 VAL 71 HG23 VAL 71 16.749 2.788 5.312 571 H THR 72 HN THR 72 17.596 -0.055 5.022 572 HA THR 72 HA THR 72 17.603 -2.329 6.890 573 HB THR 72 HB THR 72 19.367 -3.303 5.345 574 HG1 THR 72 HG1 THR 72 18.258 -1.516 3.431 575 1HG2 THR 72 HG21 THR 72 17.698 -4.181 3.783 576 2HG2 THR 72 HG22 THR 72 16.579 -2.901 4.257 577 3HG2 THR 72 HG23 THR 72 17.065 -4.126 5.430 578 H SER 73 HN SER 73 20.537 -1.641 5.278 579 HA SER 73 HA SER 73 21.766 -1.264 7.883 580 1HB SER 73 HB2 SER 73 23.123 -1.691 5.244 581 2HB SER 73 HB3 SER 73 23.803 -1.945 6.847 582 HG SER 73 HG SER 73 23.203 -3.940 6.165 583 H ARG 74 HN ARG 74 20.711 0.644 5.384 584 HA ARG 74 HA ARG 74 22.350 2.868 6.301 585 1HB ARG 74 HB2 ARG 74 22.276 1.775 3.536 586 2HB ARG 74 HB3 ARG 74 22.301 3.526 3.714 587 1HG ARG 74 HG2 ARG 74 24.352 3.401 4.979 588 2HG ARG 74 HG3 ARG 74 24.315 1.636 4.910 589 1HD ARG 74 HD2 ARG 74 24.703 1.615 2.586 590 2HD ARG 74 HD3 ARG 74 24.330 3.330 2.428 591 HE ARG 74 HE ARG 74 26.417 3.767 3.658 592 1HH1 ARG 74 HH12 ARG 74 26.010 0.638 2.121 593 2HH1 ARG 74 HH11 ARG 74 27.724 0.364 1.953 594 1HH2 ARG 74 HH22 ARG 74 28.655 3.413 3.439 595 2HH2 ARG 74 HH21 ARG 74 29.230 1.934 2.717 596 HA PRO 75 HA PRO 75 18.480 4.957 6.210 597 1HB PRO 75 HB2 PRO 75 19.333 7.534 5.894 598 2HB PRO 75 HB3 PRO 75 19.411 6.659 7.427 599 1HG PRO 75 HG2 PRO 75 21.567 7.201 5.438 600 2HG PRO 75 HG3 PRO 75 21.651 7.170 7.209 601 1HD PRO 75 HD2 PRO 75 22.518 5.133 5.613 602 2HD PRO 75 HD3 PRO 75 21.941 4.897 7.273 603 H CYS 76 HN CYS 76 17.026 5.251 4.665 604 HA CYS 76 HA CYS 76 16.068 5.409 2.631 605 1HB CYS 76 HB2 CYS 76 17.049 7.737 2.771 606 2HB CYS 76 HB3 CYS 76 18.395 7.155 1.800 607 H LYS 77 HN LYS 77 18.158 3.392 3.274 608 HA LYS 77 HA LYS 77 18.425 2.390 0.514 609 1HB LYS 77 HB2 LYS 77 20.244 2.068 2.885 610 2HB LYS 77 HB3 LYS 77 20.205 0.840 1.626 611 1HG LYS 77 HG2 LYS 77 20.663 3.740 1.014 612 2HG LYS 77 HG3 LYS 77 21.978 2.635 1.421 613 1HD LYS 77 HD2 LYS 77 21.702 1.389 -0.508 614 2HD LYS 77 HD3 LYS 77 20.024 1.890 -0.713 615 1HE LYS 77 HE2 LYS 77 22.392 3.725 -1.043 616 2HE LYS 77 HE3 LYS 77 21.604 2.877 -2.374 617 1HZ LYS 77 HZ1 LYS 77 20.309 4.837 -0.558 618 2HZ LYS 77 HZ2 LYS 77 19.533 4.001 -1.811 619 3HZ LYS 77 HZ3 LYS 77 20.762 5.122 -2.164 620 H TYR 78 HN TYR 78 17.379 0.471 0.097 621 HA TYR 78 HA TYR 78 15.895 -0.601 2.400 622 1HB TYR 78 HB2 TYR 78 14.691 0.139 -0.267 623 2HB TYR 78 HB3 TYR 78 13.832 -0.514 1.126 624 HD1 TYR 78 HD1 TYR 78 13.774 0.850 3.242 625 HD2 TYR 78 HD2 TYR 78 15.059 2.449 -0.481 626 HE1 TYR 78 HE1 TYR 78 13.443 3.119 4.113 627 HE2 TYR 78 HE2 TYR 78 14.725 4.728 0.379 628 HH TYR 78 HH TYR 78 14.244 5.379 3.683 629 H LYS 79 HN LYS 79 14.941 -2.614 2.166 630 HA LYS 79 HA LYS 79 15.697 -4.199 -0.183 631 1HB LYS 79 HB2 LYS 79 17.130 -4.777 1.790 632 2HB LYS 79 HB3 LYS 79 15.675 -5.207 2.673 633 1HG LYS 79 HG2 LYS 79 15.283 -7.086 1.357 634 2HG LYS 79 HG3 LYS 79 16.364 -6.528 0.078 635 1HD LYS 79 HD2 LYS 79 17.413 -8.328 1.324 636 2HD LYS 79 HD3 LYS 79 18.281 -6.819 1.599 637 1HE LYS 79 HE2 LYS 79 18.083 -7.950 3.694 638 2HE LYS 79 HE3 LYS 79 17.003 -6.557 3.727 639 1HZ LYS 79 HZ1 LYS 79 15.137 -7.968 3.335 640 2HZ LYS 79 HZ2 LYS 79 16.013 -8.612 4.634 641 3HZ LYS 79 HZ3 LYS 79 16.131 -9.324 3.098 642 H LEU 80 HN LEU 80 14.134 -5.805 -0.752 643 HA LEU 80 HA LEU 80 11.473 -4.830 -0.162 644 1HB LEU 80 HB2 LEU 80 12.450 -5.395 -2.464 645 2HB LEU 80 HB3 LEU 80 12.213 -7.072 -2.026 646 HG LEU 80 HG LEU 80 10.440 -5.797 -3.463 647 1HD1 LEU 80 HD11 LEU 80 8.701 -7.259 -2.649 648 2HD1 LEU 80 HD12 LEU 80 10.245 -8.111 -2.706 649 3HD1 LEU 80 HD13 LEU 80 9.609 -7.541 -1.162 650 1HD2 LEU 80 HD21 LEU 80 9.623 -5.042 -0.672 651 2HD2 LEU 80 HD22 LEU 80 10.120 -3.939 -1.954 652 3HD2 LEU 80 HD23 LEU 80 8.628 -4.865 -2.117 653 H LYS 81 HN LYS 81 9.751 -6.077 0.553 654 HA LYS 81 HA LYS 81 10.441 -8.565 1.978 655 1HB LYS 81 HB2 LYS 81 10.330 -6.846 3.650 656 2HB LYS 81 HB3 LYS 81 8.858 -6.189 2.961 657 1HG LYS 81 HG2 LYS 81 7.707 -8.316 3.596 658 2HG LYS 81 HG3 LYS 81 9.177 -8.777 4.458 659 1HD LYS 81 HD2 LYS 81 8.997 -6.855 5.897 660 2HD LYS 81 HD3 LYS 81 7.631 -6.238 4.968 661 1HE LYS 81 HE2 LYS 81 6.339 -8.245 5.613 662 2HE LYS 81 HE3 LYS 81 7.693 -8.767 6.615 663 1HZ LYS 81 HZ1 LYS 81 7.456 -6.710 7.901 664 2HZ LYS 81 HZ2 LYS 81 6.048 -7.649 7.957 665 3HZ LYS 81 HZ3 LYS 81 6.110 -6.273 6.967 666 H LYS 82 HN LYS 82 9.314 -10.149 1.086 667 HA LYS 82 HA LYS 82 6.807 -9.543 -0.292 668 1HB LYS 82 HB2 LYS 82 8.479 -12.059 -0.269 669 2HB LYS 82 HB3 LYS 82 7.091 -11.752 -1.305 670 1HG LYS 82 HG2 LYS 82 8.242 -10.049 -2.486 671 2HG LYS 82 HG3 LYS 82 9.573 -10.062 -1.326 672 1HD LYS 82 HD2 LYS 82 10.152 -12.330 -1.989 673 2HD LYS 82 HD3 LYS 82 8.800 -12.354 -3.118 674 1HE LYS 82 HE2 LYS 82 9.799 -10.607 -4.434 675 2HE LYS 82 HE3 LYS 82 11.087 -10.398 -3.248 676 1HZ LYS 82 HZ1 LYS 82 11.802 -11.688 -5.172 677 2HZ LYS 82 HZ2 LYS 82 10.618 -12.860 -4.846 678 3HZ LYS 82 HZ3 LYS 82 11.886 -12.601 -3.745 679 H SER 83 HN SER 83 4.914 -9.957 0.626 680 HA SER 83 HA SER 83 4.601 -12.359 2.234 681 1HB SER 83 HB2 SER 83 3.810 -9.618 3.259 682 2HB SER 83 HB3 SER 83 3.452 -11.153 4.051 683 HG SER 83 HG SER 83 6.055 -11.089 3.556 684 H THR 84 HN THR 84 2.663 -13.321 1.867 685 HA THR 84 HA THR 84 0.633 -11.805 0.384 686 HB THR 84 HB THR 84 0.467 -14.747 0.999 687 HG1 THR 84 HG1 THR 84 2.103 -15.126 -0.295 688 1HG2 THR 84 HG21 THR 84 -0.487 -13.065 -1.328 689 2HG2 THR 84 HG22 THR 84 -1.486 -13.638 0.008 690 3HG2 THR 84 HG23 THR 84 -0.771 -14.794 -1.115 691 H ASN 85 HN ASN 85 -0.857 -10.843 1.632 692 HA ASN 85 HA ASN 85 -2.039 -12.222 3.868 693 1HB ASN 85 HB2 ASN 85 0.208 -10.992 4.591 694 2HB ASN 85 HB3 ASN 85 -0.857 -9.603 4.587 695 1HD2 ASN 85 HD21 ASN 85 0.486 -10.793 6.823 696 2HD2 ASN 85 HD22 ASN 85 -0.741 -11.275 7.938 697 H LYS 86 HN LYS 86 -3.847 -11.096 4.734 698 HA LYS 86 HA LYS 86 -5.208 -9.398 2.869 699 1HB LYS 86 HB2 LYS 86 -6.022 -9.848 5.732 700 2HB LYS 86 HB3 LYS 86 -7.050 -9.589 4.327 701 1HG LYS 86 HG2 LYS 86 -6.325 -11.800 3.464 702 2HG LYS 86 HG3 LYS 86 -5.453 -12.052 4.975 703 1HD LYS 86 HD2 LYS 86 -7.574 -11.803 6.200 704 2HD LYS 86 HD3 LYS 86 -8.409 -11.631 4.658 705 1HE LYS 86 HE2 LYS 86 -7.692 -13.846 3.986 706 2HE LYS 86 HE3 LYS 86 -6.779 -14.024 5.481 707 1HZ LYS 86 HZ1 LYS 86 -8.886 -15.172 5.613 708 2HZ LYS 86 HZ2 LYS 86 -9.728 -13.738 5.267 709 3HZ LYS 86 HZ3 LYS 86 -8.859 -13.883 6.715 710 H PHE 87 HN PHE 87 -6.237 -7.284 3.891 711 HA PHE 87 HA PHE 87 -4.605 -6.065 5.919 712 1HB PHE 87 HB2 PHE 87 -4.002 -4.079 4.509 713 2HB PHE 87 HB3 PHE 87 -3.152 -5.566 4.112 714 HD1 PHE 87 HD1 PHE 87 -3.274 -6.496 1.962 715 HD2 PHE 87 HD2 PHE 87 -5.868 -3.298 3.030 716 HE1 PHE 87 HE1 PHE 87 -3.921 -6.236 -0.395 717 HE2 PHE 87 HE2 PHE 87 -6.528 -3.038 0.672 718 HZ PHE 87 HZ PHE 87 -5.550 -4.512 -1.048 719 H CYS 88 HN CYS 88 -5.493 -4.243 6.847 720 HA CYS 88 HA CYS 88 -8.326 -3.874 6.190 721 1HB CYS 88 HB2 CYS 88 -7.456 -4.419 8.595 722 2HB CYS 88 HB3 CYS 88 -6.941 -2.741 8.615 723 H VAL 89 HN VAL 89 -8.975 -2.070 5.206 724 HA VAL 89 HA VAL 89 -7.094 0.197 5.128 725 HB VAL 89 HB VAL 89 -8.308 0.844 2.985 726 1HG1 VAL 89 HG11 VAL 89 -6.707 -1.713 3.020 727 2HG1 VAL 89 HG12 VAL 89 -6.983 -0.697 1.607 728 3HG1 VAL 89 HG13 VAL 89 -6.060 -0.075 2.974 729 1HG2 VAL 89 HG21 VAL 89 -9.408 -0.991 1.749 730 2HG2 VAL 89 HG22 VAL 89 -9.272 -2.013 3.181 731 3HG2 VAL 89 HG23 VAL 89 -10.278 -0.565 3.224 732 H THR 90 HN THR 90 -7.918 2.289 5.365 733 HA THR 90 HA THR 90 -10.495 2.407 6.712 734 HB THR 90 HB THR 90 -8.549 4.668 6.186 735 HG1 THR 90 HG1 THR 90 -8.356 2.574 7.862 736 1HG2 THR 90 HG21 THR 90 -9.723 5.777 8.029 737 2HG2 THR 90 HG22 THR 90 -10.809 4.395 8.174 738 3HG2 THR 90 HG23 THR 90 -10.836 5.387 6.717 739 H CYS 91 HN CYS 91 -12.189 2.465 5.361 740 HA CYS 91 HA CYS 91 -11.873 3.693 2.734 741 1HB CYS 91 HB2 CYS 91 -14.150 2.081 3.888 742 2HB CYS 91 HB3 CYS 91 -13.967 2.561 2.202 743 H GLU 92 HN GLU 92 -12.676 5.587 2.177 744 HA GLU 92 HA GLU 92 -15.111 6.559 3.452 745 1HB GLU 92 HB2 GLU 92 -12.848 7.549 4.451 746 2HB GLU 92 HB3 GLU 92 -12.962 8.570 3.029 747 1HG GLU 92 HG2 GLU 92 -15.335 9.092 3.798 748 2HG GLU 92 HG3 GLU 92 -14.877 8.344 5.317 749 H ASN 93 HN ASN 93 -16.434 7.572 2.010 750 HA ASN 93 HA ASN 93 -17.327 8.134 -0.006 751 1HB ASN 93 HB2 ASN 93 -14.522 9.042 -0.710 752 2HB ASN 93 HB3 ASN 93 -16.011 9.520 -1.519 753 1HD2 ASN 93 HD21 ASN 93 -13.961 9.976 1.197 754 2HD2 ASN 93 HD22 ASN 93 -14.789 11.334 1.873 755 H GLN 94 HN GLN 94 -16.187 5.530 0.448 756 HA GLN 94 HA GLN 94 -16.044 3.555 -0.615 757 1HB GLN 94 HB2 GLN 94 -16.651 5.046 -3.165 758 2HB GLN 94 HB3 GLN 94 -16.806 3.316 -2.889 759 1HG GLN 94 HG2 GLN 94 -18.483 3.906 -1.083 760 2HG GLN 94 HG3 GLN 94 -18.469 5.536 -1.756 761 1HE2 GLN 94 HE21 GLN 94 -17.981 4.342 -4.450 762 2HE2 GLN 94 HE22 GLN 94 -19.540 3.808 -4.971 763 H ALA 95 HN ALA 95 -13.783 5.569 -0.499 764 HA ALA 95 HA ALA 95 -12.025 4.038 -2.291 765 1HB ALA 95 HB1 ALA 95 -11.829 7.008 -1.782 766 2HB ALA 95 HB2 ALA 95 -10.734 6.047 -2.774 767 3HB ALA 95 HB3 ALA 95 -12.413 6.256 -3.267 768 HA PRO 96 HA PRO 96 -9.611 3.376 1.433 769 1HB PRO 96 HB2 PRO 96 -7.456 2.803 -0.493 770 2HB PRO 96 HB3 PRO 96 -8.141 1.771 0.763 771 1HG PRO 96 HG2 PRO 96 -8.600 1.364 -1.867 772 2HG PRO 96 HG3 PRO 96 -9.778 0.959 -0.612 773 1HD PRO 96 HD2 PRO 96 -9.758 3.232 -2.518 774 2HD PRO 96 HD3 PRO 96 -11.126 2.347 -1.827 775 H VAL 97 HN VAL 97 -9.177 5.368 2.310 776 HA VAL 97 HA VAL 97 -7.303 7.111 0.866 777 HB VAL 97 HB VAL 97 -8.083 8.919 2.371 778 1HG1 VAL 97 HG11 VAL 97 -9.105 8.646 0.184 779 2HG1 VAL 97 HG12 VAL 97 -10.254 7.483 0.845 780 3HG1 VAL 97 HG13 VAL 97 -10.311 9.169 1.360 781 1HG2 VAL 97 HG21 VAL 97 -10.057 6.847 3.319 782 2HG2 VAL 97 HG22 VAL 97 -8.745 7.541 4.271 783 3HG2 VAL 97 HG23 VAL 97 -10.083 8.561 3.736 784 H HIS 98 HN HIS 98 -7.551 5.077 3.579 785 HA HIS 98 HA HIS 98 -4.888 5.913 4.437 786 1HB HIS 98 HB2 HIS 98 -7.332 5.847 6.182 787 2HB HIS 98 HB3 HIS 98 -5.749 5.513 6.868 788 HD1 HIS 98 HD1 HIS 98 -4.035 7.485 6.907 789 HD2 HIS 98 HD2 HIS 98 -7.852 8.522 5.623 790 HE1 HIS 98 HE1 HIS 98 -4.134 9.997 7.035 791 HE2 HIS 98 HE2 HIS 98 -6.532 10.570 6.493 792 H PHE 99 HN PHE 99 -3.665 4.277 5.393 793 HA PHE 99 HA PHE 99 -4.770 1.585 4.972 794 1HB PHE 99 HB2 PHE 99 -2.719 2.301 3.669 795 2HB PHE 99 HB3 PHE 99 -1.854 2.351 5.201 796 HD1 PHE 99 HD1 PHE 99 -0.905 0.430 6.092 797 HD2 PHE 99 HD2 PHE 99 -3.768 0.093 2.963 798 HE1 PHE 99 HE1 PHE 99 -0.403 -1.969 5.902 799 HE2 PHE 99 HE2 PHE 99 -3.278 -2.310 2.767 800 HZ PHE 99 HZ PHE 99 -1.610 -3.346 4.205 801 H VAL 100 HN VAL 100 -4.974 0.222 6.659 802 HA VAL 100 HA VAL 100 -4.359 1.305 9.297 803 HB VAL 100 HB VAL 100 -5.957 -1.141 8.516 804 1HG1 VAL 100 HG11 VAL 100 -5.064 -1.395 10.737 805 2HG1 VAL 100 HG12 VAL 100 -5.626 0.215 11.188 806 3HG1 VAL 100 HG13 VAL 100 -6.791 -1.061 10.836 807 1HG2 VAL 100 HG21 VAL 100 -7.930 0.177 8.989 808 2HG2 VAL 100 HG22 VAL 100 -6.935 1.563 9.437 809 3HG2 VAL 100 HG23 VAL 100 -6.957 0.995 7.769 810 H GLY 101 HN GLY 101 -4.152 -1.939 7.832 811 1HA GLY 101 HA1 GLY 101 -1.424 -2.353 8.275 812 2HA GLY 101 HA2 GLY 101 -2.288 -2.946 9.690 813 H VAL 102 HN VAL 102 -1.031 -4.903 8.559 814 HA VAL 102 HA VAL 102 -2.790 -6.034 6.499 815 HB VAL 102 HB VAL 102 -1.077 -7.300 5.660 816 1HG1 VAL 102 HG11 VAL 102 0.930 -5.899 5.471 817 2HG1 VAL 102 HG12 VAL 102 -0.559 -4.976 5.272 818 3HG1 VAL 102 HG13 VAL 102 0.332 -4.893 6.791 819 1HG2 VAL 102 HG21 VAL 102 0.929 -7.996 6.816 820 2HG2 VAL 102 HG22 VAL 102 0.477 -7.032 8.226 821 3HG2 VAL 102 HG23 VAL 102 -0.499 -8.426 7.759 822 H GLY 103 HN GLY 103 -3.358 -8.260 6.611 823 1HA GLY 103 HA1 GLY 103 -3.841 -10.254 7.737 824 2HA GLY 103 HA2 GLY 103 -3.181 -9.566 9.216 825 H SER 104 HN SER 104 -4.448 -7.667 10.054 826 HA SER 104 HA SER 104 -7.219 -7.415 9.422 827 1HB SER 104 HB2 SER 104 -7.886 -8.095 11.809 828 2HB SER 104 HB3 SER 104 -7.527 -9.398 10.680 829 HG SER 104 HG SER 104 -5.668 -9.810 11.693 830 H CYS 105 HN CYS 105 -8.220 -5.774 10.973 831 HA CYS 105 HA CYS 105 -6.147 -3.892 11.761 832 1HB CYS 105 HB2 CYS 105 -8.470 -2.587 12.258 833 2HB CYS 105 HB3 CYS 105 -7.565 -2.511 10.757 Start of MODEL 15 1 1H MET 1 H1 MET 1 -2.888 14.129 4.275 2 2H MET 1 H2 MET 1 -4.402 14.681 3.755 3 3H MET 1 H3 MET 1 -3.189 15.792 4.155 4 HA MET 1 HA MET 1 -3.406 15.644 1.779 5 1HB MET 1 HB2 MET 1 -1.085 15.178 1.227 6 2HB MET 1 HB3 MET 1 -1.166 16.028 2.763 7 1HG MET 1 HG2 MET 1 -0.625 14.109 3.989 8 2HG MET 1 HG3 MET 1 -0.994 13.040 2.639 9 1HE MET 1 HE1 MET 1 1.034 16.388 2.408 10 2HE MET 1 HE2 MET 1 1.512 15.772 3.990 11 3HE MET 1 HE3 MET 1 2.685 15.829 2.674 12 H GLN 2 HN GLN 2 -4.030 12.752 3.294 13 HA GLN 2 HA GLN 2 -3.223 11.156 0.972 14 1HB GLN 2 HB2 GLN 2 -2.475 10.496 3.292 15 2HB GLN 2 HB3 GLN 2 -4.156 10.101 3.631 16 1HG GLN 2 HG2 GLN 2 -4.170 8.412 1.938 17 2HG GLN 2 HG3 GLN 2 -2.563 8.884 1.390 18 1HE2 GLN 2 HE21 GLN 2 -4.395 7.279 3.852 19 2HE2 GLN 2 HE22 GLN 2 -3.056 6.493 4.631 20 H ASP 3 HN ASP 3 -4.627 10.620 -0.434 21 HA ASP 3 HA ASP 3 -7.406 10.059 0.298 22 1HB ASP 3 HB2 ASP 3 -8.288 11.387 -1.476 23 2HB ASP 3 HB3 ASP 3 -7.126 12.428 -0.657 24 H TRP 4 HN TRP 4 -8.338 9.313 -2.174 25 HA TRP 4 HA TRP 4 -7.204 6.783 -2.488 26 1HB TRP 4 HB2 TRP 4 -9.488 7.186 -3.165 27 2HB TRP 4 HB3 TRP 4 -8.965 8.340 -4.390 28 HD1 TRP 4 HD1 TRP 4 -9.175 7.301 -6.716 29 HE1 TRP 4 HE1 TRP 4 -8.758 4.978 -7.760 30 HE3 TRP 4 HE3 TRP 4 -7.797 4.764 -2.498 31 HZ2 TRP 4 HZ2 TRP 4 -7.949 2.419 -6.889 32 HZ3 TRP 4 HZ3 TRP 4 -7.230 2.376 -2.685 33 HH2 TRP 4 HH2 TRP 4 -7.297 1.233 -4.839 34 H LEU 5 HN LEU 5 -6.728 9.721 -4.439 35 HA LEU 5 HA LEU 5 -5.190 8.453 -6.442 36 1HB LEU 5 HB2 LEU 5 -5.433 11.334 -5.596 37 2HB LEU 5 HB3 LEU 5 -4.427 10.830 -6.939 38 HG LEU 5 HG LEU 5 -6.529 11.665 -7.775 39 1HD1 LEU 5 HD11 LEU 5 -6.428 8.667 -8.000 40 2HD1 LEU 5 HD12 LEU 5 -7.272 9.764 -9.094 41 3HD1 LEU 5 HD13 LEU 5 -5.512 9.811 -8.981 42 1HD2 LEU 5 HD21 LEU 5 -7.929 11.311 -5.825 43 2HD2 LEU 5 HD22 LEU 5 -8.666 10.589 -7.256 44 3HD2 LEU 5 HD23 LEU 5 -7.854 9.567 -6.071 45 H THR 6 HN THR 6 -4.332 10.087 -3.445 46 HA THR 6 HA THR 6 -1.509 9.882 -3.851 47 HB THR 6 HB THR 6 -2.992 10.289 -1.246 48 HG1 THR 6 HG1 THR 6 -3.666 11.995 -2.399 49 1HG2 THR 6 HG21 THR 6 -0.206 11.062 -2.119 50 2HG2 THR 6 HG22 THR 6 -0.614 9.769 -0.991 51 3HG2 THR 6 HG23 THR 6 -0.943 11.449 -0.564 52 H PHE 7 HN PHE 7 -3.957 8.004 -2.163 53 HA PHE 7 HA PHE 7 -2.337 6.178 -0.802 54 1HB PHE 7 HB2 PHE 7 -4.804 6.458 -0.514 55 2HB PHE 7 HB3 PHE 7 -5.049 5.684 -2.072 56 HD1 PHE 7 HD1 PHE 7 -4.393 5.195 1.450 57 HD2 PHE 7 HD2 PHE 7 -4.505 3.287 -2.354 58 HE1 PHE 7 HE1 PHE 7 -4.441 2.997 2.557 59 HE2 PHE 7 HE2 PHE 7 -4.569 1.085 -1.252 60 HZ PHE 7 HZ PHE 7 -4.588 0.950 1.223 61 H GLN 8 HN GLN 8 -3.606 6.158 -4.093 62 HA GLN 8 HA GLN 8 -2.813 3.646 -4.929 63 1HB GLN 8 HB2 GLN 8 -3.260 6.257 -6.275 64 2HB GLN 8 HB3 GLN 8 -2.492 4.966 -7.177 65 1HG GLN 8 HG2 GLN 8 -4.421 3.522 -6.738 66 2HG GLN 8 HG3 GLN 8 -5.178 4.827 -5.826 67 1HE2 GLN 8 HE21 GLN 8 -6.002 6.598 -6.920 68 2HE2 GLN 8 HE22 GLN 8 -6.294 6.583 -8.629 69 H LYS 9 HN LYS 9 -1.049 6.681 -5.536 70 HA LYS 9 HA LYS 9 1.185 5.640 -6.761 71 1HB LYS 9 HB2 LYS 9 1.265 7.946 -4.816 72 2HB LYS 9 HB3 LYS 9 2.282 7.696 -6.228 73 1HG LYS 9 HG2 LYS 9 0.570 8.253 -7.707 74 2HG LYS 9 HG3 LYS 9 -0.682 8.055 -6.479 75 1HD LYS 9 HD2 LYS 9 0.327 9.984 -5.260 76 2HD LYS 9 HD3 LYS 9 1.400 10.227 -6.639 77 1HE LYS 9 HE2 LYS 9 -1.613 10.334 -6.681 78 2HE LYS 9 HE3 LYS 9 -0.528 11.719 -6.759 79 1HZ LYS 9 HZ1 LYS 9 -0.786 9.559 -8.782 80 2HZ LYS 9 HZ2 LYS 9 0.360 10.809 -8.848 81 3HZ LYS 9 HZ3 LYS 9 -1.294 11.169 -8.947 82 H LYS 10 HN LYS 10 0.432 5.848 -3.373 83 HA LYS 10 HA LYS 10 3.183 5.254 -2.626 84 1HB LYS 10 HB2 LYS 10 0.831 6.051 -0.910 85 2HB LYS 10 HB3 LYS 10 2.493 5.889 -0.359 86 1HG LYS 10 HG2 LYS 10 3.173 7.672 -1.901 87 2HG LYS 10 HG3 LYS 10 1.501 7.838 -2.431 88 1HD LYS 10 HD2 LYS 10 1.852 9.568 -0.865 89 2HD LYS 10 HD3 LYS 10 0.930 8.332 -0.008 90 1HE LYS 10 HE2 LYS 10 2.876 7.562 1.131 91 2HE LYS 10 HE3 LYS 10 3.931 8.554 0.123 92 1HZ LYS 10 HZ1 LYS 10 3.564 9.518 2.327 93 2HZ LYS 10 HZ2 LYS 10 1.899 9.612 2.023 94 3HZ LYS 10 HZ3 LYS 10 2.986 10.535 1.100 95 H HIS 11 HN HIS 11 0.409 3.427 -3.178 96 HA HIS 11 HA HIS 11 1.531 1.286 -1.513 97 1HB HIS 11 HB2 HIS 11 -1.296 2.285 -1.338 98 2HB HIS 11 HB3 HIS 11 -0.865 0.646 -0.866 99 HD1 HIS 11 HD1 HIS 11 1.157 0.576 1.031 100 HD2 HIS 11 HD2 HIS 11 -1.038 4.096 0.656 101 HE1 HIS 11 HE1 HIS 11 1.512 1.829 3.185 102 HE2 HIS 11 HE2 HIS 11 0.071 3.888 2.987 103 H ILE 12 HN ILE 12 0.069 2.196 -4.453 104 HA ILE 12 HA ILE 12 -0.732 -0.574 -5.014 105 HB ILE 12 HB ILE 12 -1.298 1.952 -6.582 106 1HG1 ILE 12 HG12 ILE 12 -2.532 1.910 -4.493 107 2HG1 ILE 12 HG13 ILE 12 -3.630 1.608 -5.831 108 1HG2 ILE 12 HG21 ILE 12 -2.268 -0.864 -7.001 109 2HG2 ILE 12 HG22 ILE 12 -2.857 0.555 -7.867 110 3HG2 ILE 12 HG23 ILE 12 -1.180 0.041 -8.053 111 1HD1 ILE 12 HD11 ILE 12 -4.131 0.187 -3.937 112 2HD1 ILE 12 HD12 ILE 12 -3.597 -0.775 -5.315 113 3HD1 ILE 12 HD13 ILE 12 -2.494 -0.469 -3.974 114 H THR 13 HN THR 13 0.760 -1.820 -5.944 115 HA THR 13 HA THR 13 2.409 -0.610 -8.051 116 HB THR 13 HB THR 13 3.791 -0.997 -6.004 117 HG1 THR 13 HG1 THR 13 4.525 -1.264 -8.330 118 1HG2 THR 13 HG21 THR 13 3.132 -3.895 -6.536 119 2HG2 THR 13 HG22 THR 13 2.725 -2.967 -5.092 120 3HG2 THR 13 HG23 THR 13 4.414 -3.336 -5.456 121 H ASN 14 HN ASN 14 2.961 -1.997 -9.781 122 HA ASN 14 HA ASN 14 1.163 -4.316 -10.005 123 1HB ASN 14 HB2 ASN 14 1.479 -3.997 -12.501 124 2HB ASN 14 HB3 ASN 14 0.567 -2.743 -11.678 125 1HD2 ASN 14 HD21 ASN 14 3.569 -3.544 -13.264 126 2HD2 ASN 14 HD22 ASN 14 4.118 -1.913 -13.463 127 H THR 15 HN THR 15 3.885 -4.171 -8.836 128 HA THR 15 HA THR 15 4.965 -6.448 -10.316 129 HB THR 15 HB THR 15 6.287 -4.555 -11.093 130 HG1 THR 15 HG1 THR 15 8.385 -5.290 -9.950 131 1HG2 THR 15 HG21 THR 15 6.867 -4.033 -8.178 132 2HG2 THR 15 HG22 THR 15 5.942 -2.998 -9.265 133 3HG2 THR 15 HG23 THR 15 7.668 -3.238 -9.533 134 H ARG 16 HN ARG 16 6.154 -7.921 -9.005 135 HA ARG 16 HA ARG 16 5.418 -7.849 -6.209 136 1HB ARG 16 HB2 ARG 16 6.981 -9.863 -7.836 137 2HB ARG 16 HB3 ARG 16 6.647 -10.047 -6.118 138 1HG ARG 16 HG2 ARG 16 4.557 -9.806 -8.272 139 2HG ARG 16 HG3 ARG 16 5.094 -11.315 -7.532 140 1HD ARG 16 HD2 ARG 16 4.017 -9.038 -5.902 141 2HD ARG 16 HD3 ARG 16 2.956 -10.246 -6.623 142 HE ARG 16 HE ARG 16 4.270 -11.923 -5.308 143 1HH1 ARG 16 HH12 ARG 16 4.217 -8.573 -4.270 144 2HH1 ARG 16 HH11 ARG 16 4.338 -8.955 -2.583 145 1HH2 ARG 16 HH22 ARG 16 4.373 -12.441 -3.074 146 2HH2 ARG 16 HH21 ARG 16 4.391 -11.156 -1.903 147 H ASP 17 HN ASP 17 8.107 -7.038 -8.152 148 HA ASP 17 HA ASP 17 9.727 -6.586 -5.731 149 1HB ASP 17 HB2 ASP 17 10.742 -8.158 -7.383 150 2HB ASP 17 HB3 ASP 17 10.692 -6.879 -8.590 151 H VAL 18 HN VAL 18 8.975 -4.544 -5.228 152 HA VAL 18 HA VAL 18 8.980 -2.515 -7.305 153 HB VAL 18 HB VAL 18 7.094 -2.250 -5.941 154 1HG1 VAL 18 HG11 VAL 18 8.884 -2.460 -3.524 155 2HG1 VAL 18 HG12 VAL 18 7.159 -2.082 -3.491 156 3HG1 VAL 18 HG13 VAL 18 7.706 -3.654 -4.075 157 1HG2 VAL 18 HG21 VAL 18 7.473 -0.095 -4.740 158 2HG2 VAL 18 HG22 VAL 18 9.203 -0.296 -5.033 159 3HG2 VAL 18 HG23 VAL 18 8.091 -0.125 -6.393 160 H ASP 19 HN ASP 19 10.481 -1.015 -7.568 161 HA ASP 19 HA ASP 19 12.997 -1.308 -6.236 162 1HB ASP 19 HB2 ASP 19 12.791 -0.786 -8.648 163 2HB ASP 19 HB3 ASP 19 12.080 0.767 -8.240 164 H CYS 20 HN CYS 20 11.992 -0.835 -4.087 165 HA CYS 20 HA CYS 20 11.126 1.641 -3.217 166 1HB CYS 20 HB2 CYS 20 12.966 0.512 -1.310 167 2HB CYS 20 HB3 CYS 20 11.248 0.680 -1.221 168 H ASP 21 HN ASP 21 14.378 0.413 -3.379 169 HA ASP 21 HA ASP 21 15.959 2.344 -2.384 170 1HB ASP 21 HB2 ASP 21 16.853 0.328 -3.405 171 2HB ASP 21 HB3 ASP 21 16.390 0.896 -5.004 172 H ASN 22 HN ASN 22 14.458 2.512 -5.603 173 HA ASN 22 HA ASN 22 15.429 5.255 -5.933 174 1HB ASN 22 HB2 ASN 22 15.516 3.546 -7.799 175 2HB ASN 22 HB3 ASN 22 13.763 3.610 -7.845 176 1HD2 ASN 22 HD21 ASN 22 15.743 4.270 -9.880 177 2HD2 ASN 22 HD22 ASN 22 15.425 5.913 -10.338 178 H ILE 23 HN ILE 23 12.345 3.488 -6.008 179 HA ILE 23 HA ILE 23 10.688 5.713 -6.396 180 HB ILE 23 HB ILE 23 10.101 3.013 -5.180 181 1HG1 ILE 23 HG12 ILE 23 9.570 4.188 -7.918 182 2HG1 ILE 23 HG13 ILE 23 10.828 3.024 -7.521 183 1HG2 ILE 23 HG21 ILE 23 8.115 5.114 -6.043 184 2HG2 ILE 23 HG22 ILE 23 7.728 3.469 -5.531 185 3HG2 ILE 23 HG23 ILE 23 8.432 4.610 -4.383 186 1HD1 ILE 23 HD11 ILE 23 7.863 2.551 -7.352 187 2HD1 ILE 23 HD12 ILE 23 8.952 1.944 -8.598 188 3HD1 ILE 23 HD13 ILE 23 9.115 1.381 -6.934 189 H LEU 24 HN LEU 24 11.758 4.170 -3.392 190 HA LEU 24 HA LEU 24 10.134 5.858 -1.730 191 1HB LEU 24 HB2 LEU 24 12.109 3.680 -1.287 192 2HB LEU 24 HB3 LEU 24 11.824 4.796 0.034 193 HG LEU 24 HG LEU 24 9.545 4.177 0.169 194 1HD1 LEU 24 HD11 LEU 24 9.944 2.517 -2.275 195 2HD1 LEU 24 HD12 LEU 24 8.480 2.592 -1.300 196 3HD1 LEU 24 HD13 LEU 24 9.028 4.020 -2.179 197 1HD2 LEU 24 HD21 LEU 24 9.648 1.803 0.644 198 2HD2 LEU 24 HD22 LEU 24 11.181 1.711 -0.222 199 3HD2 LEU 24 HD23 LEU 24 11.064 2.659 1.260 200 H SER 25 HN SER 25 13.063 6.253 -3.317 201 HA SER 25 HA SER 25 14.303 7.932 -1.318 202 1HB SER 25 HB2 SER 25 15.495 6.415 -3.048 203 2HB SER 25 HB3 SER 25 15.167 7.710 -4.196 204 HG SER 25 HG SER 25 16.379 8.339 -1.742 205 H THR 26 HN THR 26 11.903 8.312 -3.625 206 HA THR 26 HA THR 26 12.519 10.988 -4.469 207 HB THR 26 HB THR 26 10.311 10.971 -5.519 208 HG1 THR 26 HG1 THR 26 9.842 8.328 -4.652 209 1HG2 THR 26 HG21 THR 26 11.751 8.342 -5.903 210 2HG2 THR 26 HG22 THR 26 12.167 9.865 -6.689 211 3HG2 THR 26 HG23 THR 26 10.626 9.083 -7.042 212 H ASN 27 HN ASN 27 10.306 12.444 -4.292 213 HA ASN 27 HA ASN 27 10.258 13.237 -1.521 214 1HB ASN 27 HB2 ASN 27 10.349 14.884 -3.335 215 2HB ASN 27 HB3 ASN 27 8.809 14.307 -3.953 216 1HD2 ASN 27 HD21 ASN 27 7.818 16.258 -3.785 217 2HD2 ASN 27 HD22 ASN 27 7.398 16.985 -2.266 218 H LEU 28 HN LEU 28 8.526 11.071 -3.384 219 HA LEU 28 HA LEU 28 5.898 11.490 -2.332 220 1HB LEU 28 HB2 LEU 28 6.418 10.425 -4.536 221 2HB LEU 28 HB3 LEU 28 7.038 9.033 -3.670 222 HG LEU 28 HG LEU 28 4.761 8.717 -2.678 223 1HD1 LEU 28 HD11 LEU 28 2.869 9.826 -3.810 224 2HD1 LEU 28 HD12 LEU 28 3.884 10.953 -2.907 225 3HD1 LEU 28 HD13 LEU 28 4.015 10.859 -4.664 226 1HD2 LEU 28 HD21 LEU 28 3.803 7.725 -4.679 227 2HD2 LEU 28 HD22 LEU 28 4.900 8.666 -5.691 228 3HD2 LEU 28 HD23 LEU 28 5.539 7.427 -4.610 229 H PHE 29 HN PHE 29 8.714 9.849 -1.260 230 HA PHE 29 HA PHE 29 7.206 8.728 1.008 231 1HB PHE 29 HB2 PHE 29 9.501 7.380 -0.431 232 2HB PHE 29 HB3 PHE 29 8.712 6.779 1.025 233 HD1 PHE 29 HD1 PHE 29 8.581 7.005 -2.564 234 HD2 PHE 29 HD2 PHE 29 6.329 6.075 0.920 235 HE1 PHE 29 HE1 PHE 29 6.934 5.811 -3.948 236 HE2 PHE 29 HE2 PHE 29 4.682 4.880 -0.453 237 HZ PHE 29 HZ PHE 29 4.975 4.772 -2.909 238 H HIS 30 HN HIS 30 10.223 10.003 -0.243 239 HA HIS 30 HA HIS 30 11.958 11.110 0.693 240 1HB HIS 30 HB2 HIS 30 9.874 12.372 1.615 241 2HB HIS 30 HB3 HIS 30 10.312 11.626 3.149 242 HD1 HIS 30 HD1 HIS 30 11.663 13.170 4.527 243 HD2 HIS 30 HD2 HIS 30 12.417 13.658 0.471 244 HE1 HIS 30 HE1 HIS 30 13.399 14.983 4.385 245 HE2 HIS 30 HE2 HIS 30 13.970 15.136 1.932 246 H CYS 31 HN CYS 31 11.806 8.344 1.073 247 HA CYS 31 HA CYS 31 12.517 6.580 2.258 248 1HB CYS 31 HB2 CYS 31 14.612 8.663 2.707 249 2HB CYS 31 HB3 CYS 31 14.752 7.110 3.528 250 H LYS 32 HN LYS 32 10.641 6.569 3.557 251 HA LYS 32 HA LYS 32 10.772 7.314 6.323 252 1HB LYS 32 HB2 LYS 32 8.738 5.867 6.480 253 2HB LYS 32 HB3 LYS 32 8.616 7.137 5.269 254 1HG LYS 32 HG2 LYS 32 9.335 5.369 3.575 255 2HG LYS 32 HG3 LYS 32 9.033 4.195 4.852 256 1HD LYS 32 HD2 LYS 32 7.121 4.536 3.292 257 2HD LYS 32 HD3 LYS 32 6.736 4.822 4.991 258 1HE LYS 32 HE2 LYS 32 7.019 7.244 4.599 259 2HE LYS 32 HE3 LYS 32 7.315 6.909 2.892 260 1HZ LYS 32 HZ1 LYS 32 4.828 6.211 4.359 261 2HZ LYS 32 HZ2 LYS 32 5.110 5.993 2.701 262 3HZ LYS 32 HZ3 LYS 32 5.013 7.560 3.346 263 H ASP 33 HN ASP 33 10.038 5.109 7.732 264 HA ASP 33 HA ASP 33 12.427 3.521 7.887 265 1HB ASP 33 HB2 ASP 33 9.721 3.168 9.207 266 2HB ASP 33 HB3 ASP 33 11.142 2.200 9.579 267 H LYS 34 HN LYS 34 9.087 2.846 6.883 268 HA LYS 34 HA LYS 34 10.036 0.958 4.943 269 1HB LYS 34 HB2 LYS 34 8.499 -0.876 5.821 270 2HB LYS 34 HB3 LYS 34 10.003 -0.620 6.688 271 1HG LYS 34 HG2 LYS 34 8.353 -0.967 8.322 272 2HG LYS 34 HG3 LYS 34 8.689 0.760 8.332 273 1HD LYS 34 HD2 LYS 34 6.301 0.360 8.516 274 2HD LYS 34 HD3 LYS 34 6.671 1.147 6.982 275 1HE LYS 34 HE2 LYS 34 5.032 -0.613 6.664 276 2HE LYS 34 HE3 LYS 34 6.538 -1.021 5.846 277 1HZ LYS 34 HZ1 LYS 34 7.086 -2.567 7.528 278 2HZ LYS 34 HZ2 LYS 34 5.470 -2.871 7.118 279 3HZ LYS 34 HZ3 LYS 34 5.838 -2.034 8.546 280 H ASN 35 HN ASN 35 8.389 0.200 3.524 281 HA ASN 35 HA ASN 35 5.786 1.502 3.698 282 1HB ASN 35 HB2 ASN 35 7.409 2.995 2.358 283 2HB ASN 35 HB3 ASN 35 7.364 1.734 1.137 284 1HD2 ASN 35 HD21 ASN 35 5.486 1.390 -0.027 285 2HD2 ASN 35 HD22 ASN 35 4.192 2.539 -0.062 286 H THR 36 HN THR 36 4.376 -0.088 3.394 287 HA THR 36 HA THR 36 5.168 -2.467 1.915 288 HB THR 36 HB THR 36 2.579 -1.984 3.399 289 HG1 THR 36 HG1 THR 36 5.111 -2.951 4.315 290 1HG2 THR 36 HG21 THR 36 2.562 -3.876 1.840 291 2HG2 THR 36 HG22 THR 36 2.501 -4.431 3.512 292 3HG2 THR 36 HG23 THR 36 4.012 -4.526 2.609 293 H PHE 37 HN PHE 37 4.739 -2.619 -0.181 294 HA PHE 37 HA PHE 37 2.552 -1.048 -1.336 295 1HB PHE 37 HB2 PHE 37 4.766 -2.630 -2.656 296 2HB PHE 37 HB3 PHE 37 3.512 -1.757 -3.524 297 HD1 PHE 37 HD1 PHE 37 6.459 -1.370 -1.319 298 HD2 PHE 37 HD2 PHE 37 3.645 0.577 -3.859 299 HE1 PHE 37 HE1 PHE 37 7.818 0.668 -1.256 300 HE2 PHE 37 HE2 PHE 37 5.011 2.617 -3.802 301 HZ PHE 37 HZ PHE 37 7.162 2.613 -2.570 302 H ILE 38 HN ILE 38 1.151 -2.056 -2.887 303 HA ILE 38 HA ILE 38 0.475 -4.834 -2.163 304 HB ILE 38 HB ILE 38 -1.368 -2.599 -3.049 305 1HG1 ILE 38 HG12 ILE 38 -1.162 -3.884 -0.317 306 2HG1 ILE 38 HG13 ILE 38 -0.380 -2.365 -0.738 307 1HG2 ILE 38 HG21 ILE 38 -2.143 -4.812 -3.751 308 2HG2 ILE 38 HG22 ILE 38 -2.027 -5.383 -2.087 309 3HG2 ILE 38 HG23 ILE 38 -3.193 -4.127 -2.511 310 1HD1 ILE 38 HD11 ILE 38 -2.470 -2.021 0.461 311 2HD1 ILE 38 HD12 ILE 38 -2.537 -1.352 -1.170 312 3HD1 ILE 38 HD13 ILE 38 -3.340 -2.879 -0.811 313 H TYR 39 HN TYR 39 0.936 -6.187 -3.820 314 HA TYR 39 HA TYR 39 0.963 -5.260 -6.547 315 1HB TYR 39 HB2 TYR 39 2.544 -6.994 -6.001 316 2HB TYR 39 HB3 TYR 39 1.267 -8.031 -5.370 317 HD1 TYR 39 HD1 TYR 39 2.302 -6.333 -8.541 318 HD2 TYR 39 HD2 TYR 39 0.368 -9.668 -6.743 319 HE1 TYR 39 HE1 TYR 39 2.027 -7.363 -10.757 320 HE2 TYR 39 HE2 TYR 39 0.084 -10.703 -8.953 321 HH TYR 39 HH TYR 39 1.693 -9.577 -11.733 322 H SER 40 HN SER 40 -1.096 -4.449 -6.651 323 HA SER 40 HA SER 40 -2.997 -6.243 -7.792 324 1HB SER 40 HB2 SER 40 -3.703 -4.825 -5.198 325 2HB SER 40 HB3 SER 40 -4.881 -5.581 -6.270 326 HG SER 40 HG SER 40 -2.773 -7.202 -5.546 327 H ARG 41 HN ARG 41 -4.750 -4.968 -8.816 328 HA ARG 41 HA ARG 41 -3.675 -2.418 -9.635 329 1HB ARG 41 HB2 ARG 41 -6.294 -3.693 -10.456 330 2HB ARG 41 HB3 ARG 41 -5.489 -2.346 -11.249 331 1HG ARG 41 HG2 ARG 41 -4.703 -5.232 -11.201 332 2HG ARG 41 HG3 ARG 41 -4.975 -4.179 -12.590 333 1HD ARG 41 HD2 ARG 41 -2.969 -2.955 -12.133 334 2HD ARG 41 HD3 ARG 41 -2.741 -3.801 -10.607 335 HE ARG 41 HE ARG 41 -1.788 -4.610 -13.101 336 1HH1 ARG 41 HH12 ARG 41 -3.537 -6.053 -10.403 337 2HH1 ARG 41 HH11 ARG 41 -2.788 -7.608 -10.597 338 1HH2 ARG 41 HH22 ARG 41 -0.824 -6.674 -13.342 339 2HH2 ARG 41 HH21 ARG 41 -1.260 -7.960 -12.258 340 HA PRO 42 HA PRO 42 -5.810 0.158 -6.870 341 1HB PRO 42 HB2 PRO 42 -6.645 2.209 -8.511 342 2HB PRO 42 HB3 PRO 42 -5.014 2.044 -7.858 343 1HG PRO 42 HG2 PRO 42 -6.043 1.429 -10.573 344 2HG PRO 42 HG3 PRO 42 -4.447 2.009 -10.078 345 1HD PRO 42 HD2 PRO 42 -4.992 -0.572 -10.803 346 2HD PRO 42 HD3 PRO 42 -3.657 -0.112 -9.733 347 H GLU 43 HN GLU 43 -7.469 -0.793 -9.779 348 HA GLU 43 HA GLU 43 -10.014 0.230 -9.055 349 1HB GLU 43 HB2 GLU 43 -9.117 -1.755 -11.137 350 2HB GLU 43 HB3 GLU 43 -10.763 -1.166 -10.999 351 1HG GLU 43 HG2 GLU 43 -10.109 1.056 -11.503 352 2HG GLU 43 HG3 GLU 43 -8.403 0.657 -11.324 353 HA PRO 44 HA PRO 44 -10.987 -4.407 -7.824 354 1HB PRO 44 HB2 PRO 44 -8.757 -5.896 -7.235 355 2HB PRO 44 HB3 PRO 44 -9.608 -5.954 -8.778 356 1HG PRO 44 HG2 PRO 44 -7.144 -4.440 -8.031 357 2HG PRO 44 HG3 PRO 44 -7.495 -5.355 -9.510 358 1HD PRO 44 HD2 PRO 44 -7.675 -2.679 -9.456 359 2HD PRO 44 HD3 PRO 44 -8.805 -3.661 -10.388 360 H VAL 45 HN VAL 45 -8.339 -2.508 -6.548 361 HA VAL 45 HA VAL 45 -8.764 -3.493 -3.844 362 HB VAL 45 HB VAL 45 -6.868 -1.391 -4.917 363 1HG1 VAL 45 HG11 VAL 45 -7.502 -0.787 -2.646 364 2HG1 VAL 45 HG12 VAL 45 -7.142 -2.424 -2.094 365 3HG1 VAL 45 HG13 VAL 45 -5.844 -1.386 -2.684 366 1HG2 VAL 45 HG21 VAL 45 -5.147 -3.034 -4.350 367 2HG2 VAL 45 HG22 VAL 45 -6.399 -4.163 -3.829 368 3HG2 VAL 45 HG23 VAL 45 -6.299 -3.678 -5.522 369 H LYS 46 HN LYS 46 -9.497 -0.643 -5.781 370 HA LYS 46 HA LYS 46 -10.631 0.881 -3.674 371 1HB LYS 46 HB2 LYS 46 -10.012 1.741 -5.963 372 2HB LYS 46 HB3 LYS 46 -11.443 0.929 -6.585 373 1HG LYS 46 HG2 LYS 46 -12.856 2.309 -5.160 374 2HG LYS 46 HG3 LYS 46 -11.426 3.106 -4.505 375 1HD LYS 46 HD2 LYS 46 -10.859 3.878 -6.778 376 2HD LYS 46 HD3 LYS 46 -12.365 3.167 -7.364 377 1HE LYS 46 HE2 LYS 46 -12.114 5.337 -5.289 378 2HE LYS 46 HE3 LYS 46 -12.609 5.559 -6.963 379 1HZ LYS 46 HZ1 LYS 46 -14.061 4.047 -4.863 380 2HZ LYS 46 HZ2 LYS 46 -14.504 4.061 -6.499 381 3HZ LYS 46 HZ3 LYS 46 -14.545 5.495 -5.597 382 H ALA 47 HN ALA 47 -11.699 -1.790 -5.572 383 HA ALA 47 HA ALA 47 -14.473 -1.614 -5.168 384 1HB ALA 47 HB1 ALA 47 -13.460 -3.057 -6.859 385 2HB ALA 47 HB2 ALA 47 -12.776 -4.072 -5.589 386 3HB ALA 47 HB3 ALA 47 -14.525 -3.972 -5.792 387 H ILE 48 HN ILE 48 -11.901 -2.561 -3.060 388 HA ILE 48 HA ILE 48 -13.338 -4.151 -1.232 389 HB ILE 48 HB ILE 48 -11.010 -2.306 -0.633 390 1HG1 ILE 48 HG12 ILE 48 -10.982 -5.244 -1.355 391 2HG1 ILE 48 HG13 ILE 48 -10.624 -3.948 -2.492 392 1HG2 ILE 48 HG21 ILE 48 -12.157 -3.061 1.374 393 2HG2 ILE 48 HG22 ILE 48 -12.052 -4.734 0.828 394 3HG2 ILE 48 HG23 ILE 48 -10.584 -3.841 1.231 395 1HD1 ILE 48 HD11 ILE 48 -9.084 -4.569 0.016 396 2HD1 ILE 48 HD12 ILE 48 -8.596 -4.962 -1.632 397 3HD1 ILE 48 HD13 ILE 48 -8.720 -3.277 -1.128 398 H CYS 49 HN CYS 49 -13.081 -0.712 -1.732 399 HA CYS 49 HA CYS 49 -14.655 -0.179 0.677 400 1HB CYS 49 HB2 CYS 49 -13.076 1.640 -1.146 401 2HB CYS 49 HB3 CYS 49 -13.995 2.186 0.255 402 H LYS 50 HN LYS 50 -15.530 -1.207 -2.087 403 HA LYS 50 HA LYS 50 -17.137 0.733 -3.320 404 1HB LYS 50 HB2 LYS 50 -16.617 -1.353 -4.434 405 2HB LYS 50 HB3 LYS 50 -17.451 -2.269 -3.187 406 1HG LYS 50 HG2 LYS 50 -19.563 -1.128 -3.860 407 2HG LYS 50 HG3 LYS 50 -18.680 -0.408 -5.206 408 1HD LYS 50 HD2 LYS 50 -18.923 -3.372 -4.716 409 2HD LYS 50 HD3 LYS 50 -19.954 -2.457 -5.813 410 1HE LYS 50 HE2 LYS 50 -16.959 -2.752 -6.018 411 2HE LYS 50 HE3 LYS 50 -18.154 -3.576 -7.019 412 1HZ LYS 50 HZ1 LYS 50 -17.544 -1.814 -8.331 413 2HZ LYS 50 HZ2 LYS 50 -17.356 -0.746 -7.028 414 3HZ LYS 50 HZ3 LYS 50 -18.911 -1.172 -7.553 415 H GLY 51 HN GLY 51 -18.644 1.875 -2.326 416 1HA GLY 51 HA1 GLY 51 -20.899 2.047 -1.650 417 2HA GLY 51 HA2 GLY 51 -20.802 0.422 -0.996 418 H ILE 52 HN ILE 52 -18.067 2.010 0.012 419 HA ILE 52 HA ILE 52 -19.339 2.524 2.615 420 HB ILE 52 HB ILE 52 -16.372 2.293 2.124 421 1HG1 ILE 52 HG12 ILE 52 -17.408 0.207 1.359 422 2HG1 ILE 52 HG13 ILE 52 -16.528 -0.051 2.859 423 1HG2 ILE 52 HG21 ILE 52 -17.029 3.345 4.209 424 2HG2 ILE 52 HG22 ILE 52 -18.073 1.975 4.593 425 3HG2 ILE 52 HG23 ILE 52 -16.324 1.758 4.521 426 1HD1 ILE 52 HD11 ILE 52 -18.623 -1.252 2.865 427 2HD1 ILE 52 HD12 ILE 52 -18.639 0.013 4.094 428 3HD1 ILE 52 HD13 ILE 52 -19.507 0.247 2.575 429 H ILE 53 HN ILE 53 -20.061 4.630 2.387 430 HA ILE 53 HA ILE 53 -18.329 6.670 1.298 431 HB ILE 53 HB ILE 53 -21.136 6.704 2.386 432 1HG1 ILE 53 HG12 ILE 53 -21.675 7.419 0.086 433 2HG1 ILE 53 HG13 ILE 53 -19.981 7.280 -0.350 434 1HG2 ILE 53 HG21 ILE 53 -21.257 9.079 1.764 435 2HG2 ILE 53 HG22 ILE 53 -20.121 8.786 3.084 436 3HG2 ILE 53 HG23 ILE 53 -19.521 9.069 1.450 437 1HD1 ILE 53 HD11 ILE 53 -20.091 4.878 0.113 438 2HD1 ILE 53 HD12 ILE 53 -21.807 5.044 0.495 439 3HD1 ILE 53 HD13 ILE 53 -21.229 5.378 -1.139 440 H ALA 54 HN ALA 54 -19.732 5.846 4.441 441 HA ALA 54 HA ALA 54 -18.445 8.044 5.771 442 1HB ALA 54 HB1 ALA 54 -20.564 7.153 6.593 443 2HB ALA 54 HB2 ALA 54 -19.787 5.604 6.923 444 3HB ALA 54 HB3 ALA 54 -19.304 7.043 7.822 445 H SER 55 HN SER 55 -16.586 8.040 6.920 446 HA SER 55 HA SER 55 -14.465 6.426 6.414 447 1HB SER 55 HB2 SER 55 -14.906 7.678 9.114 448 2HB SER 55 HB3 SER 55 -13.398 7.504 8.219 449 HG SER 55 HG SER 55 -13.838 9.238 7.088 450 H LYS 56 HN LYS 56 -14.665 4.250 6.490 451 HA LYS 56 HA LYS 56 -14.982 3.042 9.141 452 1HB LYS 56 HB2 LYS 56 -17.180 2.884 8.043 453 2HB LYS 56 HB3 LYS 56 -16.435 2.119 6.647 454 1HG LYS 56 HG2 LYS 56 -15.740 0.244 8.112 455 2HG LYS 56 HG3 LYS 56 -16.641 0.996 9.432 456 1HD LYS 56 HD2 LYS 56 -18.693 0.855 8.090 457 2HD LYS 56 HD3 LYS 56 -17.785 0.076 6.793 458 1HE LYS 56 HE2 LYS 56 -17.225 -1.769 8.305 459 2HE LYS 56 HE3 LYS 56 -18.147 -0.992 9.590 460 1HZ LYS 56 HZ1 LYS 56 -20.139 -1.216 8.229 461 2HZ LYS 56 HZ2 LYS 56 -19.427 -2.724 8.525 462 3HZ LYS 56 HZ3 LYS 56 -19.244 -1.984 7.010 463 H ASN 57 HN ASN 57 -13.210 1.853 9.497 464 HA ASN 57 HA ASN 57 -11.544 1.020 7.306 465 1HB ASN 57 HB2 ASN 57 -10.066 0.077 9.059 466 2HB ASN 57 HB3 ASN 57 -10.441 1.773 9.316 467 1HD2 ASN 57 HD21 ASN 57 -9.537 -0.322 11.151 468 2HD2 ASN 57 HD22 ASN 57 -10.688 -0.343 12.443 469 H VAL 58 HN VAL 58 -11.503 -0.881 6.328 470 HA VAL 58 HA VAL 58 -13.048 -3.080 7.530 471 HB VAL 58 HB VAL 58 -13.894 -3.722 5.376 472 1HG1 VAL 58 HG11 VAL 58 -15.310 -1.784 4.820 473 2HG1 VAL 58 HG12 VAL 58 -15.228 -2.099 6.554 474 3HG1 VAL 58 HG13 VAL 58 -14.294 -0.778 5.852 475 1HG2 VAL 58 HG21 VAL 58 -12.282 -1.441 4.256 476 2HG2 VAL 58 HG22 VAL 58 -12.047 -3.162 3.950 477 3HG2 VAL 58 HG23 VAL 58 -13.496 -2.350 3.355 478 H LEU 59 HN LEU 59 -12.229 -5.113 7.321 479 HA LEU 59 HA LEU 59 -9.437 -5.295 6.515 480 1HB LEU 59 HB2 LEU 59 -10.320 -6.032 8.777 481 2HB LEU 59 HB3 LEU 59 -11.147 -7.322 7.945 482 HG LEU 59 HG LEU 59 -8.880 -7.765 9.123 483 1HD1 LEU 59 HD11 LEU 59 -10.080 -9.424 7.839 484 2HD1 LEU 59 HD12 LEU 59 -9.423 -8.762 6.342 485 3HD1 LEU 59 HD13 LEU 59 -8.349 -9.517 7.520 486 1HD2 LEU 59 HD21 LEU 59 -6.949 -7.514 7.667 487 2HD2 LEU 59 HD22 LEU 59 -7.946 -6.658 6.490 488 3HD2 LEU 59 HD23 LEU 59 -7.659 -5.953 8.082 489 H THR 60 HN THR 60 -8.733 -6.646 4.885 490 HA THR 60 HA THR 60 -10.714 -7.375 2.925 491 HB THR 60 HB THR 60 -8.786 -8.122 1.555 492 HG1 THR 60 HG1 THR 60 -7.117 -8.716 2.727 493 1HG2 THR 60 HG21 THR 60 -7.767 -5.919 1.270 494 2HG2 THR 60 HG22 THR 60 -8.435 -5.405 2.819 495 3HG2 THR 60 HG23 THR 60 -9.514 -5.791 1.479 496 H THR 61 HN THR 61 -11.449 -9.347 2.402 497 HA THR 61 HA THR 61 -11.371 -11.373 4.358 498 HB THR 61 HB THR 61 -12.612 -12.708 2.610 499 HG1 THR 61 HG1 THR 61 -13.252 -10.927 0.869 500 1HG2 THR 61 HG21 THR 61 -13.557 -9.894 3.173 501 2HG2 THR 61 HG22 THR 61 -13.800 -11.302 4.208 502 3HG2 THR 61 HG23 THR 61 -14.583 -11.223 2.628 503 H SER 62 HN SER 62 -9.521 -10.820 1.466 504 HA SER 62 HA SER 62 -8.258 -13.466 1.750 505 1HB SER 62 HB2 SER 62 -8.419 -11.801 -0.771 506 2HB SER 62 HB3 SER 62 -7.873 -13.473 -0.627 507 HG SER 62 HG SER 62 -10.406 -12.995 0.358 508 H GLU 63 HN GLU 63 -5.967 -13.583 1.364 509 HA GLU 63 HA GLU 63 -4.550 -11.200 2.161 510 1HB GLU 63 HB2 GLU 63 -3.365 -13.858 1.338 511 2HB GLU 63 HB3 GLU 63 -2.558 -12.563 2.203 512 1HG GLU 63 HG2 GLU 63 -4.200 -12.891 4.061 513 2HG GLU 63 HG3 GLU 63 -4.759 -14.327 3.215 514 H PHE 64 HN PHE 64 -3.408 -9.873 0.905 515 HA PHE 64 HA PHE 64 -3.455 -10.423 -1.977 516 1HB PHE 64 HB2 PHE 64 -3.186 -7.860 -0.414 517 2HB PHE 64 HB3 PHE 64 -2.879 -7.948 -2.140 518 HD1 PHE 64 HD1 PHE 64 -4.639 -7.795 -3.671 519 HD2 PHE 64 HD2 PHE 64 -5.487 -8.549 0.429 520 HE1 PHE 64 HE1 PHE 64 -7.039 -7.478 -4.111 521 HE2 PHE 64 HE2 PHE 64 -7.886 -8.231 -0.005 522 HZ PHE 64 HZ PHE 64 -8.663 -7.693 -2.281 523 H TYR 65 HN TYR 65 -1.537 -9.572 -3.181 524 HA TYR 65 HA TYR 65 0.802 -10.763 -1.965 525 1HB TYR 65 HB2 TYR 65 0.511 -9.560 -4.725 526 2HB TYR 65 HB3 TYR 65 1.785 -10.644 -4.170 527 HD1 TYR 65 HD1 TYR 65 -1.359 -10.443 -5.798 528 HD2 TYR 65 HD2 TYR 65 1.023 -12.988 -3.357 529 HE1 TYR 65 HE1 TYR 65 -2.677 -12.379 -6.542 530 HE2 TYR 65 HE2 TYR 65 -0.290 -14.931 -4.092 531 HH TYR 65 HH TYR 65 -2.398 -14.844 -6.736 532 H LEU 66 HN LEU 66 1.772 -9.455 -0.548 533 HA LEU 66 HA LEU 66 1.921 -6.594 -1.140 534 1HB LEU 66 HB2 LEU 66 2.549 -8.037 1.434 535 2HB LEU 66 HB3 LEU 66 2.412 -6.301 1.210 536 HG LEU 66 HG LEU 66 0.167 -8.298 0.962 537 1HD1 LEU 66 HD11 LEU 66 -0.710 -7.187 2.964 538 2HD1 LEU 66 HD12 LEU 66 0.850 -7.956 3.259 539 3HD1 LEU 66 HD13 LEU 66 0.753 -6.207 3.048 540 1HD2 LEU 66 HD21 LEU 66 0.152 -5.295 0.697 541 2HD2 LEU 66 HD22 LEU 66 -0.157 -6.465 -0.586 542 3HD2 LEU 66 HD23 LEU 66 -1.280 -6.322 0.765 543 H SER 67 HN SER 67 3.849 -5.460 -1.025 544 HA SER 67 HA SER 67 6.309 -7.056 -0.794 545 1HB SER 67 HB2 SER 67 5.809 -4.785 -2.742 546 2HB SER 67 HB3 SER 67 7.338 -5.640 -2.533 547 HG SER 67 HG SER 67 6.601 -7.024 -3.919 548 H ASP 68 HN ASP 68 7.250 -6.439 1.002 549 HA ASP 68 HA ASP 68 6.688 -3.775 2.064 550 1HB ASP 68 HB2 ASP 68 6.262 -5.741 3.515 551 2HB ASP 68 HB3 ASP 68 7.976 -6.151 3.428 552 H CYS 69 HN CYS 69 8.101 -2.247 1.647 553 HA CYS 69 HA CYS 69 10.918 -2.962 1.317 554 1HB CYS 69 HB2 CYS 69 9.356 -0.453 0.698 555 2HB CYS 69 HB3 CYS 69 11.108 -0.558 0.550 556 H ASN 70 HN ASN 70 12.205 -2.793 3.001 557 HA ASN 70 HA ASN 70 11.569 -0.828 5.096 558 1HB ASN 70 HB2 ASN 70 12.389 -2.575 6.754 559 2HB ASN 70 HB3 ASN 70 10.814 -2.871 6.028 560 1HD2 ASN 70 HD21 ASN 70 10.522 -4.598 4.687 561 2HD2 ASN 70 HD22 ASN 70 11.716 -5.831 4.457 562 H VAL 71 HN VAL 71 13.188 0.208 6.007 563 HA VAL 71 HA VAL 71 15.637 0.427 4.642 564 HB VAL 71 HB VAL 71 14.653 1.485 7.287 565 1HG1 VAL 71 HG11 VAL 71 17.122 1.202 7.389 566 2HG1 VAL 71 HG12 VAL 71 17.260 2.199 5.938 567 3HG1 VAL 71 HG13 VAL 71 16.615 2.893 7.426 568 1HG2 VAL 71 HG21 VAL 71 15.258 2.809 4.652 569 2HG2 VAL 71 HG22 VAL 71 13.655 2.409 5.270 570 3HG2 VAL 71 HG23 VAL 71 14.644 3.610 6.098 571 H THR 72 HN THR 72 17.490 -0.517 4.846 572 HA THR 72 HA THR 72 17.748 -2.795 6.629 573 HB THR 72 HB THR 72 19.862 -3.185 5.312 574 HG1 THR 72 HG1 THR 72 18.881 -1.031 3.704 575 1HG2 THR 72 HG21 THR 72 17.774 -4.272 4.669 576 2HG2 THR 72 HG22 THR 72 18.712 -3.843 3.239 577 3HG2 THR 72 HG23 THR 72 17.322 -2.865 3.708 578 H SER 73 HN SER 73 20.742 -2.439 6.349 579 HA SER 73 HA SER 73 21.186 -1.104 8.851 580 1HB SER 73 HB2 SER 73 23.639 -1.655 8.189 581 2HB SER 73 HB3 SER 73 22.548 -2.998 8.536 582 HG SER 73 HG SER 73 23.895 -2.528 6.301 583 H ARG 74 HN ARG 74 21.103 -0.289 5.568 584 HA ARG 74 HA ARG 74 22.616 2.170 6.005 585 1HB ARG 74 HB2 ARG 74 21.658 0.768 3.534 586 2HB ARG 74 HB3 ARG 74 22.132 2.460 3.486 587 1HG ARG 74 HG2 ARG 74 24.351 1.915 4.209 588 2HG ARG 74 HG3 ARG 74 23.898 0.225 4.430 589 1HD ARG 74 HD2 ARG 74 23.456 0.003 2.056 590 2HD ARG 74 HD3 ARG 74 23.813 1.712 1.810 591 HE ARG 74 HE ARG 74 26.121 1.119 2.619 592 1HH1 ARG 74 HH12 ARG 74 24.037 -1.222 1.070 593 2HH1 ARG 74 HH11 ARG 74 25.351 -2.177 0.447 594 1HH2 ARG 74 HH22 ARG 74 27.857 -0.132 1.791 595 2HH2 ARG 74 HH21 ARG 74 27.512 -1.541 0.836 596 HA PRO 75 HA PRO 75 18.810 4.387 6.622 597 1HB PRO 75 HB2 PRO 75 20.478 6.733 5.972 598 2HB PRO 75 HB3 PRO 75 19.561 6.380 7.440 599 1HG PRO 75 HG2 PRO 75 22.249 6.273 7.376 600 2HG PRO 75 HG3 PRO 75 21.284 5.186 8.389 601 1HD PRO 75 HD2 PRO 75 22.656 4.634 5.792 602 2HD PRO 75 HD3 PRO 75 22.451 3.588 7.210 603 H CYS 76 HN CYS 76 17.258 4.934 5.224 604 HA CYS 76 HA CYS 76 16.162 5.509 3.326 605 1HB CYS 76 HB2 CYS 76 17.558 7.548 3.468 606 2HB CYS 76 HB3 CYS 76 18.803 6.759 2.518 607 H LYS 77 HN LYS 77 18.337 3.165 3.511 608 HA LYS 77 HA LYS 77 17.960 2.367 0.701 609 1HB LYS 77 HB2 LYS 77 20.172 1.682 2.629 610 2HB LYS 77 HB3 LYS 77 19.887 0.757 1.160 611 1HG LYS 77 HG2 LYS 77 20.600 3.675 1.345 612 2HG LYS 77 HG3 LYS 77 21.622 2.362 0.753 613 1HD LYS 77 HD2 LYS 77 19.964 1.951 -1.043 614 2HD LYS 77 HD3 LYS 77 19.058 3.355 -0.483 615 1HE LYS 77 HE2 LYS 77 21.017 4.773 -0.927 616 2HE LYS 77 HE3 LYS 77 21.883 3.361 -1.532 617 1HZ LYS 77 HZ1 LYS 77 19.587 4.774 -2.725 618 2HZ LYS 77 HZ2 LYS 77 19.868 3.144 -3.099 619 3HZ LYS 77 HZ3 LYS 77 21.052 4.306 -3.452 620 H TYR 78 HN TYR 78 16.684 0.686 0.333 621 HA TYR 78 HA TYR 78 15.668 -0.735 2.698 622 1HB TYR 78 HB2 TYR 78 14.268 -0.282 0.048 623 2HB TYR 78 HB3 TYR 78 13.582 -1.031 1.483 624 HD1 TYR 78 HD1 TYR 78 12.548 0.263 3.128 625 HD2 TYR 78 HD2 TYR 78 14.932 2.156 0.161 626 HE1 TYR 78 HE1 TYR 78 11.721 2.456 3.865 627 HE2 TYR 78 HE2 TYR 78 14.119 4.350 0.897 628 HH TYR 78 HH TYR 78 12.259 5.288 2.028 629 H LYS 79 HN LYS 79 14.865 -2.881 2.370 630 HA LYS 79 HA LYS 79 16.028 -4.320 0.078 631 1HB LYS 79 HB2 LYS 79 16.840 -4.804 2.550 632 2HB LYS 79 HB3 LYS 79 15.332 -5.699 2.647 633 1HG LYS 79 HG2 LYS 79 17.154 -7.171 2.088 634 2HG LYS 79 HG3 LYS 79 16.029 -7.059 0.731 635 1HD LYS 79 HD2 LYS 79 17.500 -5.505 -0.403 636 2HD LYS 79 HD3 LYS 79 18.586 -5.471 0.986 637 1HE LYS 79 HE2 LYS 79 19.477 -6.901 -0.758 638 2HE LYS 79 HE3 LYS 79 19.061 -7.848 0.669 639 1HZ LYS 79 HZ1 LYS 79 17.367 -7.594 -1.762 640 2HZ LYS 79 HZ2 LYS 79 17.040 -8.565 -0.408 641 3HZ LYS 79 HZ3 LYS 79 18.370 -8.914 -1.402 642 H LEU 80 HN LEU 80 14.596 -5.582 -1.070 643 HA LEU 80 HA LEU 80 11.817 -4.991 -0.652 644 1HB LEU 80 HB2 LEU 80 13.014 -5.136 -2.890 645 2HB LEU 80 HB3 LEU 80 12.996 -6.873 -2.689 646 HG LEU 80 HG LEU 80 11.180 -5.745 -4.139 647 1HD1 LEU 80 HD11 LEU 80 9.541 -7.439 -3.525 648 2HD1 LEU 80 HD12 LEU 80 11.171 -8.110 -3.578 649 3HD1 LEU 80 HD13 LEU 80 10.418 -7.742 -2.026 650 1HD2 LEU 80 HD21 LEU 80 9.167 -5.111 -2.914 651 2HD2 LEU 80 HD22 LEU 80 10.044 -5.288 -1.395 652 3HD2 LEU 80 HD23 LEU 80 10.520 -4.041 -2.548 653 H LYS 81 HN LYS 81 10.164 -6.444 -0.216 654 HA LYS 81 HA LYS 81 10.913 -9.113 0.740 655 1HB LYS 81 HB2 LYS 81 10.998 -7.536 2.664 656 2HB LYS 81 HB3 LYS 81 9.320 -7.123 2.364 657 1HG LYS 81 HG2 LYS 81 8.644 -9.400 2.864 658 2HG LYS 81 HG3 LYS 81 10.333 -9.854 3.117 659 1HD LYS 81 HD2 LYS 81 10.503 -8.286 4.966 660 2HD LYS 81 HD3 LYS 81 8.846 -7.753 4.690 661 1HE LYS 81 HE2 LYS 81 8.025 -9.978 5.240 662 2HE LYS 81 HE3 LYS 81 9.681 -10.543 5.477 663 1HZ LYS 81 HZ1 LYS 81 8.414 -8.356 7.041 664 2HZ LYS 81 HZ2 LYS 81 9.933 -9.055 7.319 665 3HZ LYS 81 HZ3 LYS 81 8.522 -9.967 7.566 666 H LYS 82 HN LYS 82 9.663 -10.389 -0.494 667 HA LYS 82 HA LYS 82 7.010 -9.515 -1.301 668 1HB LYS 82 HB2 LYS 82 8.480 -12.079 -1.948 669 2HB LYS 82 HB3 LYS 82 7.030 -11.476 -2.742 670 1HG LYS 82 HG2 LYS 82 8.217 -9.646 -3.689 671 2HG LYS 82 HG3 LYS 82 9.652 -10.009 -2.731 672 1HD LYS 82 HD2 LYS 82 9.861 -12.163 -3.921 673 2HD LYS 82 HD3 LYS 82 8.477 -11.714 -4.918 674 1HE LYS 82 HE2 LYS 82 9.692 -9.763 -5.741 675 2HE LYS 82 HE3 LYS 82 11.071 -10.187 -4.727 676 1HZ LYS 82 HZ1 LYS 82 11.261 -12.276 -5.987 677 2HZ LYS 82 HZ2 LYS 82 11.456 -10.910 -6.967 678 3HZ LYS 82 HZ3 LYS 82 9.996 -11.773 -7.003 679 H SER 83 HN SER 83 5.269 -9.971 -0.130 680 HA SER 83 HA SER 83 5.170 -12.485 1.387 681 1HB SER 83 HB2 SER 83 4.381 -9.785 2.517 682 2HB SER 83 HB3 SER 83 4.311 -11.335 3.355 683 HG SER 83 HG SER 83 6.633 -11.439 3.055 684 H THR 84 HN THR 84 2.851 -12.789 2.270 685 HA THR 84 HA THR 84 0.821 -11.525 0.560 686 HB THR 84 HB THR 84 0.719 -14.467 1.210 687 HG1 THR 84 HG1 THR 84 1.932 -13.169 -1.021 688 1HG2 THR 84 HG21 THR 84 -0.788 -14.506 -0.749 689 2HG2 THR 84 HG22 THR 84 -0.607 -12.758 -0.900 690 3HG2 THR 84 HG23 THR 84 -1.379 -13.444 0.530 691 H ASN 85 HN ASN 85 -0.619 -10.581 1.888 692 HA ASN 85 HA ASN 85 -1.729 -12.005 4.126 693 1HB ASN 85 HB2 ASN 85 0.508 -10.748 4.857 694 2HB ASN 85 HB3 ASN 85 -0.589 -9.387 4.898 695 1HD2 ASN 85 HD21 ASN 85 0.852 -10.856 7.025 696 2HD2 ASN 85 HD22 ASN 85 -0.368 -11.296 8.170 697 H LYS 86 HN LYS 86 -3.505 -10.829 5.102 698 HA LYS 86 HA LYS 86 -4.950 -9.239 3.188 699 1HB LYS 86 HB2 LYS 86 -5.840 -9.487 6.030 700 2HB LYS 86 HB3 LYS 86 -6.790 -9.575 4.553 701 1HG LYS 86 HG2 LYS 86 -5.719 -11.812 4.128 702 2HG LYS 86 HG3 LYS 86 -5.059 -11.712 5.761 703 1HD LYS 86 HD2 LYS 86 -7.489 -11.317 6.492 704 2HD LYS 86 HD3 LYS 86 -7.919 -11.915 4.896 705 1HE LYS 86 HE2 LYS 86 -7.999 -13.744 6.442 706 2HE LYS 86 HE3 LYS 86 -6.615 -13.962 5.377 707 1HZ LYS 86 HZ1 LYS 86 -6.510 -12.879 8.140 708 2HZ LYS 86 HZ2 LYS 86 -5.180 -13.089 7.118 709 3HZ LYS 86 HZ3 LYS 86 -6.035 -14.436 7.672 710 H PHE 87 HN PHE 87 -6.036 -7.138 4.137 711 HA PHE 87 HA PHE 87 -4.443 -5.797 6.122 712 1HB PHE 87 HB2 PHE 87 -3.870 -3.861 4.651 713 2HB PHE 87 HB3 PHE 87 -3.013 -5.348 4.266 714 HD1 PHE 87 HD1 PHE 87 -3.221 -6.361 2.141 715 HD2 PHE 87 HD2 PHE 87 -5.730 -3.092 3.193 716 HE1 PHE 87 HE1 PHE 87 -3.935 -6.156 -0.203 717 HE2 PHE 87 HE2 PHE 87 -6.455 -2.888 0.851 718 HZ PHE 87 HZ PHE 87 -5.554 -4.422 -0.853 719 H CYS 88 HN CYS 88 -5.362 -3.936 6.937 720 HA CYS 88 HA CYS 88 -8.225 -3.713 6.375 721 1HB CYS 88 HB2 CYS 88 -7.478 -4.132 8.712 722 2HB CYS 88 HB3 CYS 88 -6.593 -2.611 8.683 723 H VAL 89 HN VAL 89 -8.846 -2.102 5.076 724 HA VAL 89 HA VAL 89 -7.190 0.331 4.986 725 HB VAL 89 HB VAL 89 -8.394 0.790 2.794 726 1HG1 VAL 89 HG11 VAL 89 -6.590 -1.622 2.977 727 2HG1 VAL 89 HG12 VAL 89 -6.908 -0.691 1.513 728 3HG1 VAL 89 HG13 VAL 89 -6.080 0.062 2.876 729 1HG2 VAL 89 HG21 VAL 89 -9.110 -2.135 3.060 730 2HG2 VAL 89 HG22 VAL 89 -10.244 -0.784 3.067 731 3HG2 VAL 89 HG23 VAL 89 -9.323 -1.156 1.607 732 H THR 90 HN THR 90 -8.094 2.274 5.446 733 HA THR 90 HA THR 90 -10.724 2.245 6.634 734 HB THR 90 HB THR 90 -9.017 4.675 6.101 735 HG1 THR 90 HG1 THR 90 -8.591 2.581 7.808 736 1HG2 THR 90 HG21 THR 90 -10.202 5.609 8.016 737 2HG2 THR 90 HG22 THR 90 -11.089 4.099 8.221 738 3HG2 THR 90 HG23 THR 90 -11.347 5.084 6.782 739 H CYS 91 HN CYS 91 -12.394 2.187 5.243 740 HA CYS 91 HA CYS 91 -12.168 3.389 2.620 741 1HB CYS 91 HB2 CYS 91 -14.411 1.865 3.951 742 2HB CYS 91 HB3 CYS 91 -14.389 2.364 2.261 743 H GLU 92 HN GLU 92 -12.918 5.297 2.034 744 HA GLU 92 HA GLU 92 -15.106 6.538 3.508 745 1HB GLU 92 HB2 GLU 92 -12.597 7.213 4.232 746 2HB GLU 92 HB3 GLU 92 -12.824 8.312 2.888 747 1HG GLU 92 HG2 GLU 92 -14.935 9.074 4.004 748 2HG GLU 92 HG3 GLU 92 -14.419 8.150 5.409 749 H ASN 93 HN ASN 93 -16.474 7.493 2.136 750 HA ASN 93 HA ASN 93 -17.449 8.182 0.201 751 1HB ASN 93 HB2 ASN 93 -14.661 9.240 -0.334 752 2HB ASN 93 HB3 ASN 93 -16.080 9.654 -1.290 753 1HD2 ASN 93 HD21 ASN 93 -14.410 10.092 1.697 754 2HD2 ASN 93 HD22 ASN 93 -15.383 11.385 2.307 755 H GLN 94 HN GLN 94 -16.363 5.529 0.331 756 HA GLN 94 HA GLN 94 -16.349 3.696 -0.984 757 1HB GLN 94 HB2 GLN 94 -16.993 5.669 -3.172 758 2HB GLN 94 HB3 GLN 94 -16.894 3.932 -3.431 759 1HG GLN 94 HG2 GLN 94 -18.656 3.632 -1.718 760 2HG GLN 94 HG3 GLN 94 -18.801 5.382 -1.621 761 1HE2 GLN 94 HE21 GLN 94 -18.107 3.872 -4.648 762 2HE2 GLN 94 HE22 GLN 94 -19.665 4.110 -5.361 763 H ALA 95 HN ALA 95 -13.945 5.455 -0.542 764 HA ALA 95 HA ALA 95 -12.237 3.918 -2.349 765 1HB ALA 95 HB1 ALA 95 -12.526 6.127 -3.390 766 2HB ALA 95 HB2 ALA 95 -11.900 6.887 -1.928 767 3HB ALA 95 HB3 ALA 95 -10.859 5.839 -2.892 768 HA PRO 96 HA PRO 96 -9.848 3.315 1.406 769 1HB PRO 96 HB2 PRO 96 -7.642 2.736 -0.450 770 2HB PRO 96 HB3 PRO 96 -8.364 1.707 0.788 771 1HG PRO 96 HG2 PRO 96 -8.733 1.298 -1.860 772 2HG PRO 96 HG3 PRO 96 -9.943 0.877 -0.643 773 1HD PRO 96 HD2 PRO 96 -9.893 3.155 -2.545 774 2HD PRO 96 HD3 PRO 96 -11.273 2.259 -1.891 775 H VAL 97 HN VAL 97 -9.351 5.235 2.340 776 HA VAL 97 HA VAL 97 -7.457 6.988 0.923 777 HB VAL 97 HB VAL 97 -8.370 8.848 2.278 778 1HG1 VAL 97 HG11 VAL 97 -10.502 9.040 1.072 779 2HG1 VAL 97 HG12 VAL 97 -9.205 8.469 0.021 780 3HG1 VAL 97 HG13 VAL 97 -10.402 7.332 0.642 781 1HG2 VAL 97 HG21 VAL 97 -10.395 8.562 3.549 782 2HG2 VAL 97 HG22 VAL 97 -10.473 6.856 3.101 783 3HG2 VAL 97 HG23 VAL 97 -9.172 7.434 4.141 784 H HIS 98 HN HIS 98 -7.907 5.107 3.748 785 HA HIS 98 HA HIS 98 -5.347 6.127 4.757 786 1HB HIS 98 HB2 HIS 98 -7.837 5.652 6.398 787 2HB HIS 98 HB3 HIS 98 -6.238 5.734 7.108 788 HD1 HIS 98 HD1 HIS 98 -5.094 8.063 7.194 789 HD2 HIS 98 HD2 HIS 98 -8.970 8.085 5.695 790 HE1 HIS 98 HE1 HIS 98 -5.796 10.482 7.156 791 HE2 HIS 98 HE2 HIS 98 -8.226 10.431 6.478 792 H PHE 99 HN PHE 99 -3.977 4.573 5.548 793 HA PHE 99 HA PHE 99 -4.877 1.808 5.114 794 1HB PHE 99 HB2 PHE 99 -2.949 2.663 3.751 795 2HB PHE 99 HB3 PHE 99 -2.035 2.843 5.244 796 HD1 PHE 99 HD1 PHE 99 -0.762 1.065 6.033 797 HD2 PHE 99 HD2 PHE 99 -3.878 0.321 3.232 798 HE1 PHE 99 HE1 PHE 99 -0.032 -1.279 5.843 799 HE2 PHE 99 HE2 PHE 99 -3.159 -2.019 3.039 800 HZ PHE 99 HZ PHE 99 -1.229 -2.823 4.346 801 H VAL 100 HN VAL 100 -5.290 0.669 6.865 802 HA VAL 100 HA VAL 100 -4.549 1.643 9.473 803 HB VAL 100 HB VAL 100 -6.056 -0.852 8.659 804 1HG1 VAL 100 HG11 VAL 100 -6.783 -0.969 10.986 805 2HG1 VAL 100 HG12 VAL 100 -5.031 -1.113 10.852 806 3HG1 VAL 100 HG13 VAL 100 -5.755 0.408 11.382 807 1HG2 VAL 100 HG21 VAL 100 -7.039 1.831 9.634 808 2HG2 VAL 100 HG22 VAL 100 -7.258 1.157 8.019 809 3HG2 VAL 100 HG23 VAL 100 -8.049 0.406 9.406 810 H GLY 101 HN GLY 101 -4.246 -1.600 8.028 811 1HA GLY 101 HA1 GLY 101 -1.478 -1.837 8.205 812 2HA GLY 101 HA2 GLY 101 -2.137 -2.417 9.729 813 H VAL 102 HN VAL 102 -0.822 -4.273 8.390 814 HA VAL 102 HA VAL 102 -2.726 -5.636 6.646 815 HB VAL 102 HB VAL 102 -1.036 -6.931 5.809 816 1HG1 VAL 102 HG11 VAL 102 -0.621 -4.647 5.193 817 2HG1 VAL 102 HG12 VAL 102 0.359 -4.406 6.639 818 3HG1 VAL 102 HG13 VAL 102 0.911 -5.503 5.374 819 1HG2 VAL 102 HG21 VAL 102 0.723 -6.403 8.194 820 2HG2 VAL 102 HG22 VAL 102 -0.293 -7.832 7.993 821 3HG2 VAL 102 HG23 VAL 102 1.029 -7.528 6.866 822 H GLY 103 HN GLY 103 -3.263 -7.842 6.962 823 1HA GLY 103 HA1 GLY 103 -3.449 -9.795 8.288 824 2HA GLY 103 HA2 GLY 103 -2.898 -8.877 9.682 825 H SER 104 HN SER 104 -4.450 -7.028 10.285 826 HA SER 104 HA SER 104 -7.247 -7.607 9.811 827 1HB SER 104 HB2 SER 104 -7.608 -7.788 12.345 828 2HB SER 104 HB3 SER 104 -6.929 -9.198 11.536 829 HG SER 104 HG SER 104 -5.571 -7.241 13.090 830 H CYS 105 HN CYS 105 -8.589 -6.137 11.365 831 HA CYS 105 HA CYS 105 -7.497 -3.445 11.131 832 1HB CYS 105 HB2 CYS 105 -10.228 -4.461 11.947 833 2HB CYS 105 HB3 CYS 105 -9.801 -2.758 11.846 Start of MODEL 16 1 1H MET 1 H1 MET 1 -3.416 16.386 4.806 2 2H MET 1 H2 MET 1 -2.056 15.729 4.034 3 3H MET 1 H3 MET 1 -2.985 14.773 5.089 4 HA MET 1 HA MET 1 -4.890 14.984 3.619 5 1HB MET 1 HB2 MET 1 -2.881 16.475 1.951 6 2HB MET 1 HB3 MET 1 -4.283 15.699 1.229 7 1HG MET 1 HG2 MET 1 -5.738 17.045 2.692 8 2HG MET 1 HG3 MET 1 -4.307 17.866 3.313 9 1HE MET 1 HE1 MET 1 -6.954 19.214 1.913 10 2HE MET 1 HE2 MET 1 -5.646 20.139 2.652 11 3HE MET 1 HE3 MET 1 -6.165 20.505 1.006 12 H GLN 2 HN GLN 2 -5.202 12.973 3.159 13 HA GLN 2 HA GLN 2 -3.489 11.597 1.284 14 1HB GLN 2 HB2 GLN 2 -2.525 11.064 3.561 15 2HB GLN 2 HB3 GLN 2 -4.067 10.313 3.953 16 1HG GLN 2 HG2 GLN 2 -3.746 8.807 1.987 17 2HG GLN 2 HG3 GLN 2 -2.120 9.468 1.827 18 1HE2 GLN 2 HE21 GLN 2 -4.229 7.462 3.685 19 2HE2 GLN 2 HE22 GLN 2 -3.009 6.746 4.693 20 H ASP 3 HN ASP 3 -4.847 10.790 -0.118 21 HA ASP 3 HA ASP 3 -7.402 9.685 0.764 22 1HB ASP 3 HB2 ASP 3 -7.053 11.852 -1.273 23 2HB ASP 3 HB3 ASP 3 -8.490 10.846 -1.219 24 H TRP 4 HN TRP 4 -8.469 9.135 -1.763 25 HA TRP 4 HA TRP 4 -7.256 6.698 -2.306 26 1HB TRP 4 HB2 TRP 4 -9.563 7.185 -2.934 27 2HB TRP 4 HB3 TRP 4 -9.013 8.344 -4.137 28 HD1 TRP 4 HD1 TRP 4 -9.476 7.306 -6.435 29 HE1 TRP 4 HE1 TRP 4 -9.069 5.018 -7.551 30 HE3 TRP 4 HE3 TRP 4 -7.662 4.748 -2.397 31 HZ2 TRP 4 HZ2 TRP 4 -8.107 2.477 -6.807 32 HZ3 TRP 4 HZ3 TRP 4 -7.044 2.385 -2.678 33 HH2 TRP 4 HH2 TRP 4 -7.250 1.278 -4.843 34 H LEU 5 HN LEU 5 -6.777 9.800 -3.952 35 HA LEU 5 HA LEU 5 -5.145 8.826 -6.024 36 1HB LEU 5 HB2 LEU 5 -5.314 11.546 -4.736 37 2HB LEU 5 HB3 LEU 5 -4.314 11.210 -6.134 38 HG LEU 5 HG LEU 5 -6.287 12.217 -6.943 39 1HD1 LEU 5 HD11 LEU 5 -6.495 9.241 -7.337 40 2HD1 LEU 5 HD12 LEU 5 -7.299 10.459 -8.329 41 3HD1 LEU 5 HD13 LEU 5 -5.537 10.370 -8.296 42 1HD2 LEU 5 HD21 LEU 5 -7.891 10.206 -5.374 43 2HD2 LEU 5 HD22 LEU 5 -7.701 11.914 -4.974 44 3HD2 LEU 5 HD23 LEU 5 -8.537 11.442 -6.453 45 H THR 6 HN THR 6 -4.366 10.066 -2.804 46 HA THR 6 HA THR 6 -1.541 9.872 -3.118 47 HB THR 6 HB THR 6 -3.061 9.861 -0.506 48 HG1 THR 6 HG1 THR 6 -2.508 12.279 -0.839 49 1HG2 THR 6 HG21 THR 6 -1.062 11.051 0.317 50 2HG2 THR 6 HG22 THR 6 -0.316 10.865 -1.271 51 3HG2 THR 6 HG23 THR 6 -0.676 9.441 -0.294 52 H PHE 7 HN PHE 7 -4.054 7.807 -1.811 53 HA PHE 7 HA PHE 7 -2.502 5.872 -0.539 54 1HB PHE 7 HB2 PHE 7 -5.003 6.165 -0.414 55 2HB PHE 7 HB3 PHE 7 -5.112 5.426 -2.007 56 HD1 PHE 7 HD1 PHE 7 -4.863 4.856 1.529 57 HD2 PHE 7 HD2 PHE 7 -4.321 3.062 -2.294 58 HE1 PHE 7 HE1 PHE 7 -4.934 2.626 2.569 59 HE2 PHE 7 HE2 PHE 7 -4.407 0.829 -1.260 60 HZ PHE 7 HZ PHE 7 -4.741 0.624 1.200 61 H GLN 8 HN GLN 8 -3.679 6.063 -3.864 62 HA GLN 8 HA GLN 8 -2.783 3.618 -4.818 63 1HB GLN 8 HB2 GLN 8 -3.283 6.281 -6.076 64 2HB GLN 8 HB3 GLN 8 -2.608 4.968 -7.014 65 1HG GLN 8 HG2 GLN 8 -4.550 3.601 -6.574 66 2HG GLN 8 HG3 GLN 8 -5.206 4.845 -5.509 67 1HE2 GLN 8 HE21 GLN 8 -6.015 6.744 -6.399 68 2HE2 GLN 8 HE22 GLN 8 -6.443 6.859 -8.069 69 H LYS 9 HN LYS 9 -1.189 6.766 -5.274 70 HA LYS 9 HA LYS 9 1.096 5.909 -6.553 71 1HB LYS 9 HB2 LYS 9 0.956 8.139 -4.518 72 2HB LYS 9 HB3 LYS 9 2.110 7.989 -5.835 73 1HG LYS 9 HG2 LYS 9 0.516 8.509 -7.449 74 2HG LYS 9 HG3 LYS 9 -0.832 8.182 -6.357 75 1HD LYS 9 HD2 LYS 9 -0.099 10.133 -4.987 76 2HD LYS 9 HD3 LYS 9 1.101 10.494 -6.229 77 1HE LYS 9 HE2 LYS 9 -0.627 10.835 -7.871 78 2HE LYS 9 HE3 LYS 9 -1.865 10.307 -6.733 79 1HZ LYS 9 HZ1 LYS 9 -1.817 12.703 -6.911 80 2HZ LYS 9 HZ2 LYS 9 -0.182 12.743 -6.465 81 3HZ LYS 9 HZ3 LYS 9 -1.353 12.232 -5.351 82 H LYS 10 HN LYS 10 0.284 5.802 -3.193 83 HA LYS 10 HA LYS 10 3.051 5.393 -2.370 84 1HB LYS 10 HB2 LYS 10 1.257 6.955 -1.278 85 2HB LYS 10 HB3 LYS 10 0.715 5.480 -0.498 86 1HG LYS 10 HG2 LYS 10 2.676 5.251 0.724 87 2HG LYS 10 HG3 LYS 10 3.580 6.326 -0.347 88 1HD LYS 10 HD2 LYS 10 2.137 8.203 0.427 89 2HD LYS 10 HD3 LYS 10 1.406 7.102 1.596 90 1HE LYS 10 HE2 LYS 10 3.417 6.867 2.789 91 2HE LYS 10 HE3 LYS 10 4.372 7.563 1.480 92 1HZ LYS 10 HZ1 LYS 10 4.073 9.122 3.312 93 2HZ LYS 10 HZ2 LYS 10 2.386 9.044 3.131 94 3HZ LYS 10 HZ3 LYS 10 3.339 9.701 1.895 95 H HIS 11 HN HIS 11 0.252 3.447 -2.978 96 HA HIS 11 HA HIS 11 1.570 1.226 -1.574 97 1HB HIS 11 HB2 HIS 11 -1.329 1.983 -1.207 98 2HB HIS 11 HB3 HIS 11 -0.627 0.463 -0.667 99 HD1 HIS 11 HD1 HIS 11 1.175 0.629 1.286 100 HD2 HIS 11 HD2 HIS 11 -0.901 4.144 0.453 101 HE1 HIS 11 HE1 HIS 11 1.531 2.125 3.282 102 HE2 HIS 11 HE2 HIS 11 0.195 4.210 2.797 103 H ILE 12 HN ILE 12 0.058 2.258 -4.391 104 HA ILE 12 HA ILE 12 -0.779 -0.475 -5.074 105 HB ILE 12 HB ILE 12 -1.374 2.135 -6.477 106 1HG1 ILE 12 HG12 ILE 12 -2.610 1.894 -4.391 107 2HG1 ILE 12 HG13 ILE 12 -3.697 1.717 -5.761 108 1HG2 ILE 12 HG21 ILE 12 -2.884 0.847 -7.899 109 2HG2 ILE 12 HG22 ILE 12 -1.211 0.314 -8.079 110 3HG2 ILE 12 HG23 ILE 12 -2.344 -0.642 -7.121 111 1HD1 ILE 12 HD11 ILE 12 -2.561 -0.519 -4.099 112 2HD1 ILE 12 HD12 ILE 12 -4.207 0.109 -4.023 113 3HD1 ILE 12 HD13 ILE 12 -3.643 -0.710 -5.480 114 H THR 13 HN THR 13 0.743 -1.656 -6.031 115 HA THR 13 HA THR 13 2.393 -0.344 -8.073 116 HB THR 13 HB THR 13 3.717 -0.834 -5.980 117 HG1 THR 13 HG1 THR 13 4.528 -0.775 -8.261 118 1HG2 THR 13 HG21 THR 13 3.251 -3.692 -6.829 119 2HG2 THR 13 HG22 THR 13 2.709 -2.944 -5.326 120 3HG2 THR 13 HG23 THR 13 4.432 -3.167 -5.631 121 H ASN 14 HN ASN 14 3.124 -1.753 -9.781 122 HA ASN 14 HA ASN 14 1.186 -3.917 -10.248 123 1HB ASN 14 HB2 ASN 14 1.508 -3.471 -12.659 124 2HB ASN 14 HB3 ASN 14 0.906 -2.065 -11.790 125 1HD2 ASN 14 HD21 ASN 14 3.534 -3.404 -13.592 126 2HD2 ASN 14 HD22 ASN 14 4.468 -1.953 -13.700 127 H THR 15 HN THR 15 3.882 -4.014 -8.945 128 HA THR 15 HA THR 15 4.893 -6.262 -10.530 129 HB THR 15 HB THR 15 6.396 -4.454 -11.090 130 HG1 THR 15 HG1 THR 15 8.341 -5.315 -9.768 131 1HG2 THR 15 HG21 THR 15 6.783 -4.058 -8.122 132 2HG2 THR 15 HG22 THR 15 5.924 -2.963 -9.207 133 3HG2 THR 15 HG23 THR 15 7.660 -3.217 -9.402 134 H ARG 16 HN ARG 16 5.811 -7.947 -9.278 135 HA ARG 16 HA ARG 16 4.956 -8.039 -6.542 136 1HB ARG 16 HB2 ARG 16 6.542 -9.965 -8.237 137 2HB ARG 16 HB3 ARG 16 6.241 -10.232 -6.527 138 1HG ARG 16 HG2 ARG 16 4.153 -9.973 -8.662 139 2HG ARG 16 HG3 ARG 16 4.652 -11.460 -7.844 140 1HD ARG 16 HD2 ARG 16 3.478 -9.044 -6.515 141 2HD ARG 16 HD3 ARG 16 2.585 -10.514 -6.895 142 HE ARG 16 HE ARG 16 4.105 -11.655 -5.300 143 1HH1 ARG 16 HH12 ARG 16 3.752 -8.168 -5.113 144 2HH1 ARG 16 HH11 ARG 16 4.132 -8.090 -3.427 145 1HH2 ARG 16 HH22 ARG 16 4.538 -11.552 -3.044 146 2HH2 ARG 16 HH21 ARG 16 4.553 -10.003 -2.249 147 H ASP 17 HN ASP 17 7.831 -7.213 -8.213 148 HA ASP 17 HA ASP 17 9.191 -6.873 -5.623 149 1HB ASP 17 HB2 ASP 17 10.141 -8.615 -7.290 150 2HB ASP 17 HB3 ASP 17 10.657 -7.218 -8.228 151 H VAL 18 HN VAL 18 8.672 -4.782 -5.266 152 HA VAL 18 HA VAL 18 9.074 -2.822 -7.378 153 HB VAL 18 HB VAL 18 7.101 -2.425 -6.094 154 1HG1 VAL 18 HG11 VAL 18 7.522 -3.646 -4.083 155 2HG1 VAL 18 HG12 VAL 18 8.846 -2.563 -3.644 156 3HG1 VAL 18 HG13 VAL 18 7.185 -1.967 -3.647 157 1HG2 VAL 18 HG21 VAL 18 9.259 -0.497 -5.260 158 2HG2 VAL 18 HG22 VAL 18 8.275 -0.419 -6.722 159 3HG2 VAL 18 HG23 VAL 18 7.524 -0.192 -5.142 160 H ASP 19 HN ASP 19 10.778 -1.430 -7.492 161 HA ASP 19 HA ASP 19 13.022 -2.036 -5.784 162 1HB ASP 19 HB2 ASP 19 13.256 -1.571 -8.251 163 2HB ASP 19 HB3 ASP 19 12.900 0.117 -7.897 164 H CYS 20 HN CYS 20 12.306 -1.415 -3.823 165 HA CYS 20 HA CYS 20 11.125 0.915 -3.008 166 1HB CYS 20 HB2 CYS 20 13.262 -0.483 -1.417 167 2HB CYS 20 HB3 CYS 20 11.833 0.360 -0.821 168 H ASP 21 HN ASP 21 14.576 0.270 -3.376 169 HA ASP 21 HA ASP 21 15.607 2.444 -2.034 170 1HB ASP 21 HB2 ASP 21 16.605 0.383 -3.658 171 2HB ASP 21 HB3 ASP 21 17.217 1.883 -4.348 172 H ASN 22 HN ASN 22 14.668 2.270 -5.464 173 HA ASN 22 HA ASN 22 15.436 5.021 -5.905 174 1HB ASN 22 HB2 ASN 22 15.563 3.308 -7.709 175 2HB ASN 22 HB3 ASN 22 13.810 3.194 -7.683 176 1HD2 ASN 22 HD21 ASN 22 13.346 3.963 -9.673 177 2HD2 ASN 22 HD22 ASN 22 13.718 5.567 -10.208 178 H ILE 23 HN ILE 23 12.376 3.245 -5.850 179 HA ILE 23 HA ILE 23 10.776 5.477 -6.411 180 HB ILE 23 HB ILE 23 10.071 2.865 -5.081 181 1HG1 ILE 23 HG12 ILE 23 9.766 3.938 -7.891 182 2HG1 ILE 23 HG13 ILE 23 10.842 2.649 -7.367 183 1HG2 ILE 23 HG21 ILE 23 8.194 4.985 -6.125 184 2HG2 ILE 23 HG22 ILE 23 7.732 3.396 -5.511 185 3HG2 ILE 23 HG23 ILE 23 8.451 4.587 -4.425 186 1HD1 ILE 23 HD11 ILE 23 8.909 1.769 -8.527 187 2HD1 ILE 23 HD12 ILE 23 8.912 1.259 -6.839 188 3HD1 ILE 23 HD13 ILE 23 7.836 2.553 -7.366 189 H LEU 24 HN LEU 24 11.877 4.168 -3.306 190 HA LEU 24 HA LEU 24 10.095 5.895 -1.841 191 1HB LEU 24 HB2 LEU 24 12.387 4.254 -0.782 192 2HB LEU 24 HB3 LEU 24 11.115 4.995 0.167 193 HG LEU 24 HG LEU 24 10.836 2.684 -1.751 194 1HD1 LEU 24 HD11 LEU 24 10.164 1.460 0.235 195 2HD1 LEU 24 HD12 LEU 24 11.782 2.136 0.429 196 3HD1 LEU 24 HD13 LEU 24 10.404 2.902 1.221 197 1HD2 LEU 24 HD21 LEU 24 8.492 2.626 -1.125 198 2HD2 LEU 24 HD22 LEU 24 8.692 4.103 -0.183 199 3HD2 LEU 24 HD23 LEU 24 8.890 4.140 -1.935 200 H SER 25 HN SER 25 13.119 6.359 -3.286 201 HA SER 25 HA SER 25 13.970 8.290 -1.269 202 1HB SER 25 HB2 SER 25 15.952 8.594 -2.857 203 2HB SER 25 HB3 SER 25 15.796 7.028 -2.065 204 HG SER 25 HG SER 25 15.338 6.102 -3.922 205 H THR 26 HN THR 26 11.780 8.349 -3.613 206 HA THR 26 HA THR 26 12.408 10.912 -4.791 207 HB THR 26 HB THR 26 10.193 10.750 -5.842 208 HG1 THR 26 HG1 THR 26 9.788 8.170 -4.808 209 1HG2 THR 26 HG21 THR 26 10.579 8.707 -7.168 210 2HG2 THR 26 HG22 THR 26 11.777 8.181 -5.983 211 3HG2 THR 26 HG23 THR 26 12.058 9.637 -6.939 212 H ASN 27 HN ASN 27 10.569 12.606 -4.692 213 HA ASN 27 HA ASN 27 10.398 13.509 -2.014 214 1HB ASN 27 HB2 ASN 27 10.464 15.047 -3.909 215 2HB ASN 27 HB3 ASN 27 8.913 14.441 -4.482 216 1HD2 ASN 27 HD21 ASN 27 10.532 16.287 -1.994 217 2HD2 ASN 27 HD22 ASN 27 9.117 17.117 -1.427 218 H LEU 28 HN LEU 28 8.524 11.273 -3.706 219 HA LEU 28 HA LEU 28 5.977 11.809 -2.521 220 1HB LEU 28 HB2 LEU 28 6.288 10.671 -4.702 221 2HB LEU 28 HB3 LEU 28 6.994 9.304 -3.864 222 HG LEU 28 HG LEU 28 4.837 8.936 -2.696 223 1HD1 LEU 28 HD11 LEU 28 2.830 10.078 -3.551 224 2HD1 LEU 28 HD12 LEU 28 3.944 11.188 -2.754 225 3HD1 LEU 28 HD13 LEU 28 3.859 11.136 -4.514 226 1HD2 LEU 28 HD21 LEU 28 4.699 8.995 -5.706 227 2HD2 LEU 28 HD22 LEU 28 5.359 7.694 -4.718 228 3HD2 LEU 28 HD23 LEU 28 3.635 8.067 -4.651 229 H PHE 29 HN PHE 29 8.822 10.254 -1.431 230 HA PHE 29 HA PHE 29 7.348 9.087 0.834 231 1HB PHE 29 HB2 PHE 29 9.607 7.716 -0.649 232 2HB PHE 29 HB3 PHE 29 8.837 7.124 0.817 233 HD1 PHE 29 HD1 PHE 29 8.590 7.443 -2.785 234 HD2 PHE 29 HD2 PHE 29 6.540 6.271 0.751 235 HE1 PHE 29 HE1 PHE 29 6.930 6.242 -4.147 236 HE2 PHE 29 HE2 PHE 29 4.883 5.069 -0.600 237 HZ PHE 29 HZ PHE 29 5.127 4.997 -3.068 238 H HIS 30 HN HIS 30 10.204 10.456 -0.528 239 HA HIS 30 HA HIS 30 12.136 11.249 0.260 240 1HB HIS 30 HB2 HIS 30 11.954 12.937 1.992 241 2HB HIS 30 HB3 HIS 30 10.649 13.068 0.840 242 HD1 HIS 30 HD1 HIS 30 11.357 12.359 4.438 243 HD2 HIS 30 HD2 HIS 30 8.101 12.626 1.868 244 HE1 HIS 30 HE1 HIS 30 9.329 12.477 5.924 245 HE2 HIS 30 HE2 HIS 30 7.395 12.862 4.347 246 H CYS 31 HN CYS 31 11.902 8.625 0.891 247 HA CYS 31 HA CYS 31 12.957 7.002 2.044 248 1HB CYS 31 HB2 CYS 31 14.547 9.205 3.363 249 2HB CYS 31 HB3 CYS 31 15.016 7.520 3.161 250 H LYS 32 HN LYS 32 10.743 6.942 3.102 251 HA LYS 32 HA LYS 32 10.647 7.596 5.899 252 1HB LYS 32 HB2 LYS 32 8.537 6.408 5.920 253 2HB LYS 32 HB3 LYS 32 8.600 7.477 4.530 254 1HG LYS 32 HG2 LYS 32 9.499 5.173 3.428 255 2HG LYS 32 HG3 LYS 32 8.413 4.550 4.664 256 1HD LYS 32 HD2 LYS 32 7.706 6.602 2.572 257 2HD LYS 32 HD3 LYS 32 7.271 4.894 2.524 258 1HE LYS 32 HE2 LYS 32 6.493 6.639 4.834 259 2HE LYS 32 HE3 LYS 32 5.534 6.584 3.359 260 1HZ LYS 32 HZ1 LYS 32 5.201 4.242 3.659 261 2HZ LYS 32 HZ2 LYS 32 4.741 5.044 5.080 262 3HZ LYS 32 HZ3 LYS 32 6.218 4.213 5.013 263 H ASP 33 HN ASP 33 9.969 5.580 7.390 264 HA ASP 33 HA ASP 33 12.304 3.946 7.548 265 1HB ASP 33 HB2 ASP 33 9.651 3.772 8.998 266 2HB ASP 33 HB3 ASP 33 11.028 2.737 9.355 267 H LYS 34 HN LYS 34 8.897 3.126 6.962 268 HA LYS 34 HA LYS 34 9.776 0.913 5.248 269 1HB LYS 34 HB2 LYS 34 7.615 0.681 7.338 270 2HB LYS 34 HB3 LYS 34 8.210 -0.597 6.296 271 1HG LYS 34 HG2 LYS 34 10.183 -0.821 7.491 272 2HG LYS 34 HG3 LYS 34 10.035 0.784 8.218 273 1HD LYS 34 HD2 LYS 34 8.023 -0.018 9.424 274 2HD LYS 34 HD3 LYS 34 8.345 -1.640 8.803 275 1HE LYS 34 HE2 LYS 34 9.216 -1.447 11.047 276 2HE LYS 34 HE3 LYS 34 10.551 -1.589 9.905 277 1HZ LYS 34 HZ1 LYS 34 11.028 0.691 10.102 278 2HZ LYS 34 HZ2 LYS 34 10.804 0.144 11.688 279 3HZ LYS 34 HZ3 LYS 34 9.577 1.023 10.912 280 H ASN 35 HN ASN 35 8.069 0.139 3.821 281 HA ASN 35 HA ASN 35 5.595 1.609 3.677 282 1HB ASN 35 HB2 ASN 35 7.341 3.022 2.427 283 2HB ASN 35 HB3 ASN 35 7.342 1.736 1.228 284 1HD2 ASN 35 HD21 ASN 35 5.574 1.451 -0.076 285 2HD2 ASN 35 HD22 ASN 35 4.290 2.608 -0.191 286 H THR 36 HN THR 36 4.202 -0.030 3.411 287 HA THR 36 HA THR 36 5.004 -2.398 1.920 288 HB THR 36 HB THR 36 2.407 -1.847 3.375 289 HG1 THR 36 HG1 THR 36 4.359 -3.607 4.373 290 1HG2 THR 36 HG21 THR 36 2.248 -3.615 1.672 291 2HG2 THR 36 HG22 THR 36 2.103 -4.267 3.303 292 3HG2 THR 36 HG23 THR 36 3.616 -4.446 2.413 293 H PHE 37 HN PHE 37 4.668 -2.516 -0.199 294 HA PHE 37 HA PHE 37 2.488 -0.970 -1.408 295 1HB PHE 37 HB2 PHE 37 4.738 -2.527 -2.706 296 2HB PHE 37 HB3 PHE 37 3.506 -1.623 -3.573 297 HD1 PHE 37 HD1 PHE 37 6.416 -1.347 -1.349 298 HD2 PHE 37 HD2 PHE 37 3.673 0.753 -3.843 299 HE1 PHE 37 HE1 PHE 37 7.867 0.636 -1.283 300 HE2 PHE 37 HE2 PHE 37 5.129 2.725 -3.781 301 HZ PHE 37 HZ PHE 37 7.227 2.657 -2.511 302 H ILE 38 HN ILE 38 1.104 -1.990 -2.950 303 HA ILE 38 HA ILE 38 0.528 -4.807 -2.298 304 HB ILE 38 HB ILE 38 -1.383 -2.600 -3.105 305 1HG1 ILE 38 HG12 ILE 38 -1.188 -4.001 -0.435 306 2HG1 ILE 38 HG13 ILE 38 -0.396 -2.467 -0.778 307 1HG2 ILE 38 HG21 ILE 38 -2.041 -4.857 -3.888 308 2HG2 ILE 38 HG22 ILE 38 -2.025 -5.409 -2.214 309 3HG2 ILE 38 HG23 ILE 38 -3.173 -4.165 -2.724 310 1HD1 ILE 38 HD11 ILE 38 -2.556 -1.437 -1.201 311 2HD1 ILE 38 HD12 ILE 38 -3.359 -2.977 -0.892 312 3HD1 ILE 38 HD13 ILE 38 -2.495 -2.155 0.408 313 H TYR 39 HN TYR 39 0.918 -6.124 -3.994 314 HA TYR 39 HA TYR 39 0.960 -5.098 -6.687 315 1HB TYR 39 HB2 TYR 39 2.524 -6.871 -6.219 316 2HB TYR 39 HB3 TYR 39 1.239 -7.916 -5.617 317 HD1 TYR 39 HD1 TYR 39 2.337 -6.133 -8.709 318 HD2 TYR 39 HD2 TYR 39 0.237 -9.448 -7.062 319 HE1 TYR 39 HE1 TYR 39 2.082 -7.082 -10.961 320 HE2 TYR 39 HE2 TYR 39 -0.020 -10.404 -9.311 321 HH TYR 39 HH TYR 39 -0.025 -9.677 -11.646 322 H SER 40 HN SER 40 -1.034 -4.323 -7.016 323 HA SER 40 HA SER 40 -2.947 -6.060 -8.109 324 1HB SER 40 HB2 SER 40 -3.471 -6.516 -5.712 325 2HB SER 40 HB3 SER 40 -3.736 -4.792 -5.461 326 HG SER 40 HG SER 40 -5.599 -4.908 -6.479 327 H ARG 41 HN ARG 41 -4.498 -4.841 -9.257 328 HA ARG 41 HA ARG 41 -3.676 -2.189 -9.828 329 1HB ARG 41 HB2 ARG 41 -6.027 -3.831 -10.717 330 2HB ARG 41 HB3 ARG 41 -5.854 -2.151 -11.185 331 1HG ARG 41 HG2 ARG 41 -3.820 -4.299 -11.722 332 2HG ARG 41 HG3 ARG 41 -5.004 -3.704 -12.890 333 1HD ARG 41 HD2 ARG 41 -4.052 -1.546 -12.904 334 2HD ARG 41 HD3 ARG 41 -3.083 -1.881 -11.474 335 HE ARG 41 HE ARG 41 -2.239 -3.671 -13.399 336 1HH1 ARG 41 HH12 ARG 41 -2.512 -0.185 -13.109 337 2HH1 ARG 41 HH11 ARG 41 -1.061 0.133 -14.027 338 1HH2 ARG 41 HH22 ARG 41 -0.316 -3.259 -14.594 339 2HH2 ARG 41 HH21 ARG 41 0.181 -1.613 -14.877 340 HA PRO 42 HA PRO 42 -5.837 0.321 -6.994 341 1HB PRO 42 HB2 PRO 42 -6.941 2.169 -8.757 342 2HB PRO 42 HB3 PRO 42 -5.308 2.242 -8.102 343 1HG PRO 42 HG2 PRO 42 -6.264 1.244 -10.737 344 2HG PRO 42 HG3 PRO 42 -4.788 2.136 -10.347 345 1HD PRO 42 HD2 PRO 42 -4.764 -0.509 -10.825 346 2HD PRO 42 HD3 PRO 42 -3.686 0.237 -9.620 347 H GLU 43 HN GLU 43 -7.580 -0.873 -9.798 348 HA GLU 43 HA GLU 43 -10.146 -0.026 -8.987 349 1HB GLU 43 HB2 GLU 43 -9.208 -2.106 -10.943 350 2HB GLU 43 HB3 GLU 43 -10.900 -1.718 -10.699 351 1HG GLU 43 HG2 GLU 43 -8.749 0.167 -11.623 352 2HG GLU 43 HG3 GLU 43 -10.042 -0.521 -12.604 353 HA PRO 44 HA PRO 44 -10.840 -4.584 -7.446 354 1HB PRO 44 HB2 PRO 44 -8.544 -5.999 -6.929 355 2HB PRO 44 HB3 PRO 44 -9.503 -6.153 -8.399 356 1HG PRO 44 HG2 PRO 44 -6.998 -4.602 -7.919 357 2HG PRO 44 HG3 PRO 44 -7.481 -5.548 -9.340 358 1HD PRO 44 HD2 PRO 44 -7.648 -2.857 -9.293 359 2HD PRO 44 HD3 PRO 44 -8.811 -3.854 -10.162 360 H VAL 45 HN VAL 45 -8.264 -2.500 -6.397 361 HA VAL 45 HA VAL 45 -8.504 -3.377 -3.628 362 HB VAL 45 HB VAL 45 -6.816 -1.181 -4.851 363 1HG1 VAL 45 HG11 VAL 45 -6.848 -2.214 -2.018 364 2HG1 VAL 45 HG12 VAL 45 -5.679 -1.071 -2.684 365 3HG1 VAL 45 HG13 VAL 45 -7.378 -0.617 -2.549 366 1HG2 VAL 45 HG21 VAL 45 -6.081 -3.900 -3.786 367 2HG2 VAL 45 HG22 VAL 45 -6.108 -3.418 -5.482 368 3HG2 VAL 45 HG23 VAL 45 -4.947 -2.685 -4.375 369 H LYS 46 HN LYS 46 -9.483 -0.721 -5.704 370 HA LYS 46 HA LYS 46 -10.621 0.890 -3.648 371 1HB LYS 46 HB2 LYS 46 -10.015 1.675 -5.960 372 2HB LYS 46 HB3 LYS 46 -11.393 0.776 -6.572 373 1HG LYS 46 HG2 LYS 46 -12.900 2.167 -5.263 374 2HG LYS 46 HG3 LYS 46 -11.522 3.053 -4.605 375 1HD LYS 46 HD2 LYS 46 -10.903 3.677 -6.938 376 2HD LYS 46 HD3 LYS 46 -12.405 2.933 -7.486 377 1HE LYS 46 HE2 LYS 46 -13.663 4.491 -6.057 378 2HE LYS 46 HE3 LYS 46 -12.151 5.246 -5.567 379 1HZ LYS 46 HZ1 LYS 46 -13.308 6.461 -7.345 380 2HZ LYS 46 HZ2 LYS 46 -13.145 5.117 -8.368 381 3HZ LYS 46 HZ3 LYS 46 -11.766 5.940 -7.818 382 H ALA 47 HN ALA 47 -11.693 -1.799 -5.585 383 HA ALA 47 HA ALA 47 -14.454 -1.656 -5.091 384 1HB ALA 47 HB1 ALA 47 -13.460 -3.047 -6.853 385 2HB ALA 47 HB2 ALA 47 -12.785 -4.112 -5.620 386 3HB ALA 47 HB3 ALA 47 -14.533 -3.975 -5.807 387 H ILE 48 HN ILE 48 -11.838 -2.619 -3.065 388 HA ILE 48 HA ILE 48 -13.234 -4.249 -1.229 389 HB ILE 48 HB ILE 48 -10.893 -2.412 -0.652 390 1HG1 ILE 48 HG12 ILE 48 -10.892 -5.337 -1.440 391 2HG1 ILE 48 HG13 ILE 48 -10.515 -4.014 -2.540 392 1HG2 ILE 48 HG21 ILE 48 -11.871 -4.873 0.790 393 2HG2 ILE 48 HG22 ILE 48 -10.436 -3.934 1.200 394 3HG2 ILE 48 HG23 ILE 48 -12.038 -3.213 1.357 395 1HD1 ILE 48 HD11 ILE 48 -8.616 -3.404 -1.119 396 2HD1 ILE 48 HD12 ILE 48 -8.987 -4.764 -0.062 397 3HD1 ILE 48 HD13 ILE 48 -8.495 -5.053 -1.730 398 H CYS 49 HN CYS 49 -12.975 -0.808 -1.699 399 HA CYS 49 HA CYS 49 -14.501 -0.280 0.748 400 1HB CYS 49 HB2 CYS 49 -12.910 1.526 -1.074 401 2HB CYS 49 HB3 CYS 49 -13.831 2.092 0.314 402 H LYS 50 HN LYS 50 -15.319 -1.109 -2.196 403 HA LYS 50 HA LYS 50 -16.877 0.983 -3.241 404 1HB LYS 50 HB2 LYS 50 -16.214 -0.977 -4.569 405 2HB LYS 50 HB3 LYS 50 -17.246 -1.999 -3.576 406 1HG LYS 50 HG2 LYS 50 -19.210 -0.833 -4.353 407 2HG LYS 50 HG3 LYS 50 -18.209 0.283 -5.280 408 1HD LYS 50 HD2 LYS 50 -18.373 -2.696 -5.721 409 2HD LYS 50 HD3 LYS 50 -19.207 -1.475 -6.684 410 1HE LYS 50 HE2 LYS 50 -16.978 -0.499 -7.238 411 2HE LYS 50 HE3 LYS 50 -16.230 -1.869 -6.419 412 1HZ LYS 50 HZ1 LYS 50 -16.312 -2.308 -8.755 413 2HZ LYS 50 HZ2 LYS 50 -17.974 -1.967 -8.820 414 3HZ LYS 50 HZ3 LYS 50 -17.423 -3.340 -7.990 415 H GLY 51 HN GLY 51 -18.472 1.953 -2.216 416 1HA GLY 51 HA1 GLY 51 -20.788 1.908 -1.630 417 2HA GLY 51 HA2 GLY 51 -20.563 0.282 -1.005 418 H ILE 52 HN ILE 52 -17.937 1.866 0.070 419 HA ILE 52 HA ILE 52 -19.240 2.378 2.651 420 HB ILE 52 HB ILE 52 -16.265 2.248 2.199 421 1HG1 ILE 52 HG12 ILE 52 -17.189 0.137 1.374 422 2HG1 ILE 52 HG13 ILE 52 -16.341 -0.117 2.894 423 1HG2 ILE 52 HG21 ILE 52 -17.986 1.798 4.633 424 2HG2 ILE 52 HG22 ILE 52 -16.227 1.680 4.580 425 3HG2 ILE 52 HG23 ILE 52 -17.015 3.232 4.292 426 1HD1 ILE 52 HD11 ILE 52 -18.396 -1.396 2.810 427 2HD1 ILE 52 HD12 ILE 52 -18.480 -0.168 4.074 428 3HD1 ILE 52 HD13 ILE 52 -19.323 0.080 2.543 429 H ILE 53 HN ILE 53 -20.017 4.457 2.395 430 HA ILE 53 HA ILE 53 -18.344 6.532 1.300 431 HB ILE 53 HB ILE 53 -21.145 6.506 2.408 432 1HG1 ILE 53 HG12 ILE 53 -21.722 7.191 0.107 433 2HG1 ILE 53 HG13 ILE 53 -20.031 7.103 -0.344 434 1HG2 ILE 53 HG21 ILE 53 -19.599 8.908 1.443 435 2HG2 ILE 53 HG22 ILE 53 -21.330 8.875 1.780 436 3HG2 ILE 53 HG23 ILE 53 -20.172 8.618 3.086 437 1HD1 ILE 53 HD11 ILE 53 -21.249 5.165 -1.122 438 2HD1 ILE 53 HD12 ILE 53 -20.061 4.697 0.096 439 3HD1 ILE 53 HD13 ILE 53 -21.771 4.807 0.526 440 H ALA 54 HN ALA 54 -19.718 5.711 4.467 441 HA ALA 54 HA ALA 54 -18.382 7.893 5.782 442 1HB ALA 54 HB1 ALA 54 -20.505 7.001 6.629 443 2HB ALA 54 HB2 ALA 54 -19.718 5.458 6.965 444 3HB ALA 54 HB3 ALA 54 -19.228 6.908 7.842 445 H SER 55 HN SER 55 -16.491 7.885 6.855 446 HA SER 55 HA SER 55 -14.429 6.193 6.183 447 1HB SER 55 HB2 SER 55 -13.337 7.132 8.314 448 2HB SER 55 HB3 SER 55 -13.860 8.288 7.087 449 HG SER 55 HG SER 55 -15.655 7.564 9.114 450 H LYS 56 HN LYS 56 -14.383 4.076 6.458 451 HA LYS 56 HA LYS 56 -14.704 3.012 9.173 452 1HB LYS 56 HB2 LYS 56 -16.846 2.618 8.092 453 2HB LYS 56 HB3 LYS 56 -16.049 1.913 6.694 454 1HG LYS 56 HG2 LYS 56 -15.208 0.092 8.159 455 2HG LYS 56 HG3 LYS 56 -16.164 0.773 9.478 456 1HD LYS 56 HD2 LYS 56 -18.204 0.435 8.216 457 2HD LYS 56 HD3 LYS 56 -17.280 -0.149 6.831 458 1HE LYS 56 HE2 LYS 56 -18.203 -2.030 8.014 459 2HE LYS 56 HE3 LYS 56 -16.453 -2.018 8.225 460 1HZ LYS 56 HZ1 LYS 56 -16.734 -1.078 10.415 461 2HZ LYS 56 HZ2 LYS 56 -17.648 -2.502 10.289 462 3HZ LYS 56 HZ3 LYS 56 -18.418 -0.992 10.203 463 H ASN 57 HN ASN 57 -13.135 1.617 9.699 464 HA ASN 57 HA ASN 57 -11.119 0.923 7.743 465 1HB ASN 57 HB2 ASN 57 -11.406 0.187 10.670 466 2HB ASN 57 HB3 ASN 57 -10.014 -0.213 9.672 467 1HD2 ASN 57 HD21 ASN 57 -10.170 1.376 12.104 468 2HD2 ASN 57 HD22 ASN 57 -9.530 2.931 11.698 469 H VAL 58 HN VAL 58 -11.382 -0.765 6.414 470 HA VAL 58 HA VAL 58 -12.936 -3.050 7.435 471 HB VAL 58 HB VAL 58 -13.726 -3.536 5.253 472 1HG1 VAL 58 HG11 VAL 58 -14.998 -1.534 4.672 473 2HG1 VAL 58 HG12 VAL 58 -14.974 -1.818 6.412 474 3HG1 VAL 58 HG13 VAL 58 -13.942 -0.572 5.706 475 1HG2 VAL 58 HG21 VAL 58 -13.137 -2.226 3.269 476 2HG2 VAL 58 HG22 VAL 58 -11.952 -1.336 4.225 477 3HG2 VAL 58 HG23 VAL 58 -11.745 -3.068 3.953 478 H LEU 59 HN LEU 59 -12.137 -5.042 7.264 479 HA LEU 59 HA LEU 59 -9.344 -5.304 6.434 480 1HB LEU 59 HB2 LEU 59 -10.183 -5.936 8.741 481 2HB LEU 59 HB3 LEU 59 -11.074 -7.225 7.979 482 HG LEU 59 HG LEU 59 -8.825 -7.742 9.120 483 1HD1 LEU 59 HD11 LEU 59 -10.070 -9.362 7.829 484 2HD1 LEU 59 HD12 LEU 59 -9.378 -8.722 6.339 485 3HD1 LEU 59 HD13 LEU 59 -8.340 -9.508 7.527 486 1HD2 LEU 59 HD21 LEU 59 -7.501 -6.016 8.140 487 2HD2 LEU 59 HD22 LEU 59 -6.899 -7.584 7.595 488 3HD2 LEU 59 HD23 LEU 59 -7.880 -6.594 6.513 489 H THR 60 HN THR 60 -8.718 -6.751 4.851 490 HA THR 60 HA THR 60 -10.716 -7.293 2.872 491 HB THR 60 HB THR 60 -8.815 -8.264 1.560 492 HG1 THR 60 HG1 THR 60 -7.212 -8.905 2.794 493 1HG2 THR 60 HG21 THR 60 -8.329 -5.529 2.743 494 2HG2 THR 60 HG22 THR 60 -9.391 -5.890 1.380 495 3HG2 THR 60 HG23 THR 60 -7.650 -6.137 1.236 496 H THR 61 HN THR 61 -11.319 -9.224 1.990 497 HA THR 61 HA THR 61 -11.795 -11.273 3.905 498 HB THR 61 HB THR 61 -12.879 -12.350 1.820 499 HG1 THR 61 HG1 THR 61 -12.282 -11.326 0.042 500 1HG2 THR 61 HG21 THR 61 -13.761 -9.646 2.842 501 2HG2 THR 61 HG22 THR 61 -14.160 -11.213 3.553 502 3HG2 THR 61 HG23 THR 61 -14.787 -10.780 1.963 503 H SER 62 HN SER 62 -9.354 -10.762 1.590 504 HA SER 62 HA SER 62 -8.352 -13.472 1.958 505 1HB SER 62 HB2 SER 62 -9.680 -13.341 -0.214 506 2HB SER 62 HB3 SER 62 -8.454 -12.216 -0.788 507 HG SER 62 HG SER 62 -7.435 -13.946 -1.377 508 H GLU 63 HN GLU 63 -6.109 -13.540 0.726 509 HA GLU 63 HA GLU 63 -4.620 -11.269 1.821 510 1HB GLU 63 HB2 GLU 63 -3.453 -13.857 0.779 511 2HB GLU 63 HB3 GLU 63 -2.670 -12.646 1.773 512 1HG GLU 63 HG2 GLU 63 -3.920 -13.230 3.674 513 2HG GLU 63 HG3 GLU 63 -5.038 -14.207 2.731 514 H PHE 64 HN PHE 64 -3.385 -9.960 0.605 515 HA PHE 64 HA PHE 64 -3.473 -10.395 -2.300 516 1HB PHE 64 HB2 PHE 64 -3.208 -7.884 -0.661 517 2HB PHE 64 HB3 PHE 64 -2.844 -7.922 -2.379 518 HD1 PHE 64 HD1 PHE 64 -4.558 -7.716 -3.970 519 HD2 PHE 64 HD2 PHE 64 -5.526 -8.543 0.090 520 HE1 PHE 64 HE1 PHE 64 -6.941 -7.368 -4.473 521 HE2 PHE 64 HE2 PHE 64 -7.911 -8.196 -0.405 522 HZ PHE 64 HZ PHE 64 -8.606 -7.563 -2.731 523 H TYR 65 HN TYR 65 -1.539 -9.541 -3.455 524 HA TYR 65 HA TYR 65 0.794 -10.749 -2.251 525 1HB TYR 65 HB2 TYR 65 0.487 -9.476 -4.978 526 2HB TYR 65 HB3 TYR 65 1.805 -10.517 -4.450 527 HD1 TYR 65 HD1 TYR 65 -1.272 -10.406 -6.145 528 HD2 TYR 65 HD2 TYR 65 1.064 -12.900 -3.613 529 HE1 TYR 65 HE1 TYR 65 -2.547 -12.367 -6.907 530 HE2 TYR 65 HE2 TYR 65 -0.198 -14.867 -4.371 531 HH TYR 65 HH TYR 65 -2.488 -15.317 -5.333 532 H LEU 66 HN LEU 66 1.826 -9.518 -0.829 533 HA LEU 66 HA LEU 66 1.914 -6.624 -1.272 534 1HB LEU 66 HB2 LEU 66 2.524 -8.183 1.234 535 2HB LEU 66 HB3 LEU 66 2.393 -6.440 1.095 536 HG LEU 66 HG LEU 66 0.144 -8.416 0.735 537 1HD1 LEU 66 HD11 LEU 66 0.815 -8.181 3.053 538 2HD1 LEU 66 HD12 LEU 66 0.716 -6.425 2.918 539 3HD1 LEU 66 HD13 LEU 66 -0.744 -7.402 2.780 540 1HD2 LEU 66 HD21 LEU 66 -0.168 -6.513 -0.726 541 2HD2 LEU 66 HD22 LEU 66 -1.297 -6.426 0.626 542 3HD2 LEU 66 HD23 LEU 66 0.142 -5.403 0.612 543 H SER 67 HN SER 67 3.830 -5.473 -1.072 544 HA SER 67 HA SER 67 6.308 -7.051 -0.872 545 1HB SER 67 HB2 SER 67 5.891 -4.629 -2.655 546 2HB SER 67 HB3 SER 67 7.339 -5.633 -2.553 547 HG SER 67 HG SER 67 6.460 -6.888 -3.983 548 H ASP 68 HN ASP 68 7.183 -6.502 1.005 549 HA ASP 68 HA ASP 68 6.513 -3.937 2.216 550 1HB ASP 68 HB2 ASP 68 7.846 -6.419 3.302 551 2HB ASP 68 HB3 ASP 68 7.720 -4.926 4.223 552 H CYS 69 HN CYS 69 7.779 -2.295 1.688 553 HA CYS 69 HA CYS 69 10.633 -2.717 1.318 554 1HB CYS 69 HB2 CYS 69 8.881 -0.263 1.091 555 2HB CYS 69 HB3 CYS 69 10.622 -0.254 0.821 556 H ASN 70 HN ASN 70 11.970 -2.630 2.979 557 HA ASN 70 HA ASN 70 11.260 -0.937 5.267 558 1HB ASN 70 HB2 ASN 70 12.060 -2.726 6.800 559 2HB ASN 70 HB3 ASN 70 10.620 -3.188 5.902 560 1HD2 ASN 70 HD21 ASN 70 10.799 -4.733 4.240 561 2HD2 ASN 70 HD22 ASN 70 12.156 -5.797 4.140 562 H VAL 71 HN VAL 71 12.861 0.133 6.186 563 HA VAL 71 HA VAL 71 15.322 0.380 4.776 564 HB VAL 71 HB VAL 71 14.182 2.260 5.919 565 1HG1 VAL 71 HG11 VAL 71 14.442 2.547 8.343 566 2HG1 VAL 71 HG12 VAL 71 13.437 1.158 7.933 567 3HG1 VAL 71 HG13 VAL 71 15.105 0.916 8.453 568 1HG2 VAL 71 HG21 VAL 71 17.000 1.724 6.845 569 2HG2 VAL 71 HG22 VAL 71 16.519 2.454 5.313 570 3HG2 VAL 71 HG23 VAL 71 16.209 3.301 6.827 571 H THR 72 HN THR 72 17.314 -0.357 5.247 572 HA THR 72 HA THR 72 17.487 -2.535 7.164 573 HB THR 72 HB THR 72 19.733 -2.907 6.154 574 HG1 THR 72 HG1 THR 72 20.284 -1.639 4.309 575 1HG2 THR 72 HG21 THR 72 17.465 -2.629 4.177 576 2HG2 THR 72 HG22 THR 72 17.790 -4.027 5.200 577 3HG2 THR 72 HG23 THR 72 18.925 -3.585 3.924 578 H SER 73 HN SER 73 20.530 -1.708 7.092 579 HA SER 73 HA SER 73 20.390 -0.355 9.652 580 1HB SER 73 HB2 SER 73 22.761 -1.506 8.215 581 2HB SER 73 HB3 SER 73 22.741 -0.937 9.880 582 HG SER 73 HG SER 73 20.991 -2.559 10.155 583 H ARG 74 HN ARG 74 20.645 0.508 6.454 584 HA ARG 74 HA ARG 74 22.034 2.996 7.120 585 1HB ARG 74 HB2 ARG 74 23.274 1.886 5.420 586 2HB ARG 74 HB3 ARG 74 21.813 1.455 4.537 587 1HG ARG 74 HG2 ARG 74 21.420 3.842 4.123 588 2HG ARG 74 HG3 ARG 74 22.974 4.208 4.874 589 1HD ARG 74 HD2 ARG 74 22.460 2.616 2.364 590 2HD ARG 74 HD3 ARG 74 23.284 4.168 2.499 591 HE ARG 74 HE ARG 74 24.680 2.353 4.074 592 1HH1 ARG 74 HH12 ARG 74 24.003 2.952 0.692 593 2HH1 ARG 74 HH11 ARG 74 25.391 2.068 0.127 594 1HH2 ARG 74 HH22 ARG 74 26.492 1.188 3.342 595 2HH2 ARG 74 HH21 ARG 74 26.808 1.069 1.633 596 HA PRO 75 HA PRO 75 18.064 4.924 6.617 597 1HB PRO 75 HB2 PRO 75 18.916 7.473 6.104 598 2HB PRO 75 HB3 PRO 75 18.857 6.760 7.719 599 1HG PRO 75 HG2 PRO 75 21.185 7.097 5.877 600 2HG PRO 75 HG3 PRO 75 21.103 7.309 7.635 601 1HD PRO 75 HD2 PRO 75 22.149 5.094 6.476 602 2HD PRO 75 HD3 PRO 75 21.316 5.047 8.040 603 H CYS 76 HN CYS 76 16.704 5.140 4.963 604 HA CYS 76 HA CYS 76 15.852 5.303 2.880 605 1HB CYS 76 HB2 CYS 76 17.059 7.531 2.969 606 2HB CYS 76 HB3 CYS 76 18.358 6.768 2.061 607 H LYS 77 HN LYS 77 18.037 3.272 3.689 608 HA LYS 77 HA LYS 77 18.375 2.153 0.988 609 1HB LYS 77 HB2 LYS 77 20.519 2.352 2.050 610 2HB LYS 77 HB3 LYS 77 19.908 1.671 3.550 611 1HG LYS 77 HG2 LYS 77 21.320 0.110 2.280 612 2HG LYS 77 HG3 LYS 77 19.681 -0.496 2.532 613 1HD LYS 77 HD2 LYS 77 19.215 0.570 0.209 614 2HD LYS 77 HD3 LYS 77 20.970 0.501 0.025 615 1HE LYS 77 HE2 LYS 77 20.999 -1.842 0.218 616 2HE LYS 77 HE3 LYS 77 19.353 -1.891 0.850 617 1HZ LYS 77 HZ1 LYS 77 18.646 -0.986 -1.367 618 2HZ LYS 77 HZ2 LYS 77 19.231 -2.578 -1.375 619 3HZ LYS 77 HZ3 LYS 77 20.217 -1.313 -1.926 620 H TYR 78 HN TYR 78 17.065 0.474 0.488 621 HA TYR 78 HA TYR 78 15.564 -0.686 2.744 622 1HB TYR 78 HB2 TYR 78 14.562 -0.126 -0.047 623 2HB TYR 78 HB3 TYR 78 13.626 -0.821 1.273 624 HD1 TYR 78 HD1 TYR 78 12.967 0.556 3.191 625 HD2 TYR 78 HD2 TYR 78 15.014 2.219 -0.147 626 HE1 TYR 78 HE1 TYR 78 12.315 2.810 3.920 627 HE2 TYR 78 HE2 TYR 78 14.368 4.478 0.574 628 HH TYR 78 HH TYR 78 12.802 5.590 1.926 629 H LYS 79 HN LYS 79 14.749 -2.757 2.532 630 HA LYS 79 HA LYS 79 15.929 -4.437 0.418 631 1HB LYS 79 HB2 LYS 79 16.955 -5.017 2.521 632 2HB LYS 79 HB3 LYS 79 15.398 -5.063 3.330 633 1HG LYS 79 HG2 LYS 79 14.792 -7.009 1.914 634 2HG LYS 79 HG3 LYS 79 16.435 -6.980 1.265 635 1HD LYS 79 HD2 LYS 79 16.144 -8.604 3.115 636 2HD LYS 79 HD3 LYS 79 17.361 -7.371 3.454 637 1HE LYS 79 HE2 LYS 79 15.502 -6.091 4.630 638 2HE LYS 79 HE3 LYS 79 14.561 -7.577 4.531 639 1HZ LYS 79 HZ1 LYS 79 16.176 -8.715 5.846 640 2HZ LYS 79 HZ2 LYS 79 15.770 -7.275 6.651 641 3HZ LYS 79 HZ3 LYS 79 17.235 -7.388 5.806 642 H LEU 80 HN LEU 80 14.471 -5.703 -0.698 643 HA LEU 80 HA LEU 80 11.690 -5.079 -0.254 644 1HB LEU 80 HB2 LEU 80 12.844 -5.241 -2.527 645 2HB LEU 80 HB3 LEU 80 12.786 -6.977 -2.313 646 HG LEU 80 HG LEU 80 10.956 -5.838 -3.719 647 1HD1 LEU 80 HD11 LEU 80 9.263 -7.431 -3.020 648 2HD1 LEU 80 HD12 LEU 80 10.860 -8.178 -3.088 649 3HD1 LEU 80 HD13 LEU 80 10.162 -7.733 -1.531 650 1HD2 LEU 80 HD21 LEU 80 9.014 -5.072 -2.476 651 2HD2 LEU 80 HD22 LEU 80 9.920 -5.243 -0.970 652 3HD2 LEU 80 HD23 LEU 80 10.427 -4.058 -2.174 653 H LYS 81 HN LYS 81 10.110 -6.460 0.330 654 HA LYS 81 HA LYS 81 10.892 -9.127 1.268 655 1HB LYS 81 HB2 LYS 81 10.997 -7.716 3.226 656 2HB LYS 81 HB3 LYS 81 9.422 -7.026 2.868 657 1HG LYS 81 HG2 LYS 81 8.347 -9.140 3.316 658 2HG LYS 81 HG3 LYS 81 9.914 -9.914 3.562 659 1HD LYS 81 HD2 LYS 81 10.337 -8.537 5.500 660 2HD LYS 81 HD3 LYS 81 8.852 -7.627 5.221 661 1HE LYS 81 HE2 LYS 81 8.925 -10.592 5.746 662 2HE LYS 81 HE3 LYS 81 8.711 -9.382 7.009 663 1HZ LYS 81 HZ1 LYS 81 6.918 -9.653 4.653 664 2HZ LYS 81 HZ2 LYS 81 6.682 -8.667 6.015 665 3HZ LYS 81 HZ3 LYS 81 6.616 -10.356 6.165 666 H LYS 82 HN LYS 82 9.672 -10.493 0.177 667 HA LYS 82 HA LYS 82 7.123 -9.647 -0.900 668 1HB LYS 82 HB2 LYS 82 8.527 -12.319 -1.079 669 2HB LYS 82 HB3 LYS 82 7.140 -11.811 -2.036 670 1HG LYS 82 HG2 LYS 82 8.436 -10.145 -3.156 671 2HG LYS 82 HG3 LYS 82 9.812 -10.429 -2.083 672 1HD LYS 82 HD2 LYS 82 9.950 -12.748 -2.930 673 2HD LYS 82 HD3 LYS 82 8.648 -12.386 -4.059 674 1HE LYS 82 HE2 LYS 82 11.296 -10.952 -3.975 675 2HE LYS 82 HE3 LYS 82 10.908 -12.273 -5.073 676 1HZ LYS 82 HZ1 LYS 82 10.541 -10.339 -6.289 677 2HZ LYS 82 HZ2 LYS 82 9.768 -9.552 -5.006 678 3HZ LYS 82 HZ3 LYS 82 8.987 -10.821 -5.810 679 H SER 83 HN SER 83 5.233 -9.970 0.037 680 HA SER 83 HA SER 83 4.944 -12.100 2.035 681 1HB SER 83 HB2 SER 83 3.886 -9.306 2.486 682 2HB SER 83 HB3 SER 83 3.988 -10.627 3.647 683 HG SER 83 HG SER 83 5.746 -8.706 3.223 684 H THR 84 HN THR 84 2.734 -12.732 2.380 685 HA THR 84 HA THR 84 0.753 -11.521 0.583 686 HB THR 84 HB THR 84 0.708 -14.489 1.087 687 HG1 THR 84 HG1 THR 84 2.227 -14.821 -0.381 688 1HG2 THR 84 HG21 THR 84 -0.540 -14.481 -1.042 689 2HG2 THR 84 HG22 THR 84 -0.371 -12.727 -1.114 690 3HG2 THR 84 HG23 THR 84 -1.304 -13.469 0.183 691 H ASN 85 HN ASN 85 -0.748 -10.673 1.869 692 HA ASN 85 HA ASN 85 -1.938 -12.195 4.004 693 1HB ASN 85 HB2 ASN 85 0.244 -10.873 4.846 694 2HB ASN 85 HB3 ASN 85 -0.918 -9.566 4.896 695 1HD2 ASN 85 HD21 ASN 85 0.465 -10.783 7.090 696 2HD2 ASN 85 HD22 ASN 85 -0.750 -11.421 8.149 697 H LYS 86 HN LYS 86 -3.684 -10.919 5.048 698 HA LYS 86 HA LYS 86 -5.097 -9.306 3.127 699 1HB LYS 86 HB2 LYS 86 -5.796 -9.809 6.023 700 2HB LYS 86 HB3 LYS 86 -6.888 -9.386 4.708 701 1HG LYS 86 HG2 LYS 86 -6.521 -11.534 3.666 702 2HG LYS 86 HG3 LYS 86 -5.347 -11.961 4.912 703 1HD LYS 86 HD2 LYS 86 -7.135 -11.754 6.600 704 2HD LYS 86 HD3 LYS 86 -8.276 -11.435 5.304 705 1HE LYS 86 HE2 LYS 86 -8.015 -13.597 4.396 706 2HE LYS 86 HE3 LYS 86 -6.583 -13.909 5.375 707 1HZ LYS 86 HZ1 LYS 86 -7.925 -13.989 7.335 708 2HZ LYS 86 HZ2 LYS 86 -8.589 -15.047 6.188 709 3HZ LYS 86 HZ3 LYS 86 -9.315 -13.542 6.476 710 H PHE 87 HN PHE 87 -6.085 -7.169 4.074 711 HA PHE 87 HA PHE 87 -4.419 -5.872 6.030 712 1HB PHE 87 HB2 PHE 87 -3.833 -3.950 4.545 713 2HB PHE 87 HB3 PHE 87 -3.013 -5.455 4.149 714 HD1 PHE 87 HD1 PHE 87 -3.241 -6.442 2.026 715 HD2 PHE 87 HD2 PHE 87 -5.734 -3.174 3.121 716 HE1 PHE 87 HE1 PHE 87 -3.982 -6.225 -0.307 717 HE2 PHE 87 HE2 PHE 87 -6.483 -2.957 0.787 718 HZ PHE 87 HZ PHE 87 -5.605 -4.484 -0.931 719 H CYS 88 HN CYS 88 -5.237 -3.911 6.790 720 HA CYS 88 HA CYS 88 -8.118 -3.646 6.330 721 1HB CYS 88 HB2 CYS 88 -7.290 -4.057 8.637 722 2HB CYS 88 HB3 CYS 88 -6.379 -2.555 8.555 723 H VAL 89 HN VAL 89 -8.782 -1.995 5.099 724 HA VAL 89 HA VAL 89 -7.026 0.357 4.872 725 HB VAL 89 HB VAL 89 -8.266 0.806 2.705 726 1HG1 VAL 89 HG11 VAL 89 -6.893 -0.770 1.421 727 2HG1 VAL 89 HG12 VAL 89 -5.990 -0.029 2.742 728 3HG1 VAL 89 HG13 VAL 89 -6.579 -1.683 2.898 729 1HG2 VAL 89 HG21 VAL 89 -9.125 -2.063 3.092 730 2HG2 VAL 89 HG22 VAL 89 -10.180 -0.652 3.038 731 3HG2 VAL 89 HG23 VAL 89 -9.294 -1.146 1.593 732 H THR 90 HN THR 90 -7.879 2.380 5.148 733 HA THR 90 HA THR 90 -10.427 2.509 6.499 734 HB THR 90 HB THR 90 -8.605 4.787 5.701 735 HG1 THR 90 HG1 THR 90 -8.708 3.266 8.119 736 1HG2 THR 90 HG21 THR 90 -10.872 5.486 6.296 737 2HG2 THR 90 HG22 THR 90 -9.723 5.981 7.539 738 3HG2 THR 90 HG23 THR 90 -10.767 4.585 7.806 739 H CYS 91 HN CYS 91 -12.171 2.378 5.208 740 HA CYS 91 HA CYS 91 -12.081 3.496 2.526 741 1HB CYS 91 HB2 CYS 91 -14.273 1.976 3.943 742 2HB CYS 91 HB3 CYS 91 -14.221 2.364 2.224 743 H GLU 92 HN GLU 92 -12.755 5.461 2.063 744 HA GLU 92 HA GLU 92 -15.099 6.525 3.440 745 1HB GLU 92 HB2 GLU 92 -12.942 7.400 4.509 746 2HB GLU 92 HB3 GLU 92 -12.680 8.248 2.995 747 1HG GLU 92 HG2 GLU 92 -14.884 9.355 3.309 748 2HG GLU 92 HG3 GLU 92 -14.966 8.608 4.903 749 H ASN 93 HN ASN 93 -16.474 7.400 2.028 750 HA ASN 93 HA ASN 93 -17.426 7.953 0.046 751 1HB ASN 93 HB2 ASN 93 -14.694 9.165 -0.448 752 2HB ASN 93 HB3 ASN 93 -16.081 9.402 -1.507 753 1HD2 ASN 93 HD21 ASN 93 -14.602 10.220 1.496 754 2HD2 ASN 93 HD22 ASN 93 -15.722 11.457 1.957 755 H GLN 94 HN GLN 94 -16.372 5.377 0.310 756 HA GLN 94 HA GLN 94 -16.373 3.497 -0.943 757 1HB GLN 94 HB2 GLN 94 -16.792 5.360 -3.280 758 2HB GLN 94 HB3 GLN 94 -16.925 3.608 -3.342 759 1HG GLN 94 HG2 GLN 94 -18.732 3.745 -1.647 760 2HG GLN 94 HG3 GLN 94 -18.655 5.501 -1.779 761 1HE2 GLN 94 HE21 GLN 94 -18.151 3.421 -4.504 762 2HE2 GLN 94 HE22 GLN 94 -19.627 3.789 -5.322 763 H ALA 95 HN ALA 95 -13.913 5.350 -0.640 764 HA ALA 95 HA ALA 95 -12.226 3.666 -2.338 765 1HB ALA 95 HB1 ALA 95 -12.520 5.762 -3.556 766 2HB ALA 95 HB2 ALA 95 -11.934 6.660 -2.156 767 3HB ALA 95 HB3 ALA 95 -10.854 5.562 -3.014 768 HA PRO 96 HA PRO 96 -9.760 3.307 1.373 769 1HB PRO 96 HB2 PRO 96 -7.542 2.793 -0.485 770 2HB PRO 96 HB3 PRO 96 -8.203 1.758 0.780 771 1HG PRO 96 HG2 PRO 96 -8.567 1.271 -1.855 772 2HG PRO 96 HG3 PRO 96 -9.752 0.822 -0.624 773 1HD PRO 96 HD2 PRO 96 -9.815 3.053 -2.573 774 2HD PRO 96 HD3 PRO 96 -11.152 2.110 -1.891 775 H VAL 97 HN VAL 97 -9.315 5.259 2.279 776 HA VAL 97 HA VAL 97 -7.592 7.100 0.772 777 HB VAL 97 HB VAL 97 -8.393 8.864 2.326 778 1HG1 VAL 97 HG11 VAL 97 -9.450 8.553 0.156 779 2HG1 VAL 97 HG12 VAL 97 -10.554 7.367 0.850 780 3HG1 VAL 97 HG13 VAL 97 -10.636 9.053 1.362 781 1HG2 VAL 97 HG21 VAL 97 -8.962 7.475 4.233 782 2HG2 VAL 97 HG22 VAL 97 -10.367 8.408 3.716 783 3HG2 VAL 97 HG23 VAL 97 -10.244 6.696 3.306 784 H HIS 98 HN HIS 98 -7.864 5.347 3.770 785 HA HIS 98 HA HIS 98 -5.143 6.237 4.469 786 1HB HIS 98 HB2 HIS 98 -7.464 5.697 6.335 787 2HB HIS 98 HB3 HIS 98 -5.801 5.841 6.878 788 HD1 HIS 98 HD1 HIS 98 -7.118 7.784 8.323 789 HD2 HIS 98 HD2 HIS 98 -6.379 8.541 4.301 790 HE1 HIS 98 HE1 HIS 98 -7.319 10.277 8.050 791 HE2 HIS 98 HE2 HIS 98 -7.032 10.691 5.580 792 H PHE 99 HN PHE 99 -3.815 4.635 5.475 793 HA PHE 99 HA PHE 99 -4.750 1.891 4.960 794 1HB PHE 99 HB2 PHE 99 -2.826 2.668 3.558 795 2HB PHE 99 HB3 PHE 99 -1.888 2.875 5.034 796 HD1 PHE 99 HD1 PHE 99 -0.578 1.138 5.786 797 HD2 PHE 99 HD2 PHE 99 -3.844 0.290 3.192 798 HE1 PHE 99 HE1 PHE 99 0.127 -1.214 5.677 799 HE2 PHE 99 HE2 PHE 99 -3.143 -2.067 3.076 800 HZ PHE 99 HZ PHE 99 -1.171 -2.826 4.297 801 H VAL 100 HN VAL 100 -5.146 0.746 6.708 802 HA VAL 100 HA VAL 100 -4.389 1.728 9.306 803 HB VAL 100 HB VAL 100 -5.902 -0.765 8.506 804 1HG1 VAL 100 HG11 VAL 100 -5.542 0.514 11.212 805 2HG1 VAL 100 HG12 VAL 100 -6.707 -0.760 10.846 806 3HG1 VAL 100 HG13 VAL 100 -4.980 -1.078 10.696 807 1HG2 VAL 100 HG21 VAL 100 -6.891 1.931 9.432 808 2HG2 VAL 100 HG22 VAL 100 -7.063 1.250 7.814 809 3HG2 VAL 100 HG23 VAL 100 -7.900 0.507 9.178 810 H GLY 101 HN GLY 101 -4.132 -1.540 7.913 811 1HA GLY 101 HA1 GLY 101 -1.350 -1.796 8.097 812 2HA GLY 101 HA2 GLY 101 -2.043 -2.392 9.603 813 H VAL 102 HN VAL 102 -0.796 -4.313 8.383 814 HA VAL 102 HA VAL 102 -2.723 -5.619 6.605 815 HB VAL 102 HB VAL 102 -1.078 -6.893 5.677 816 1HG1 VAL 102 HG11 VAL 102 0.905 -5.498 5.256 817 2HG1 VAL 102 HG12 VAL 102 -0.614 -4.614 5.104 818 3HG1 VAL 102 HG13 VAL 102 0.382 -4.415 6.546 819 1HG2 VAL 102 HG21 VAL 102 0.722 -6.500 8.058 820 2HG2 VAL 102 HG22 VAL 102 -0.297 -7.913 7.769 821 3HG2 VAL 102 HG23 VAL 102 1.022 -7.538 6.661 822 H GLY 103 HN GLY 103 -3.238 -7.846 6.912 823 1HA GLY 103 HA1 GLY 103 -3.399 -9.795 8.255 824 2HA GLY 103 HA2 GLY 103 -2.850 -8.863 9.640 825 H SER 104 HN SER 104 -4.381 -7.088 10.330 826 HA SER 104 HA SER 104 -7.170 -7.499 9.699 827 1HB SER 104 HB2 SER 104 -6.064 -8.078 12.451 828 2HB SER 104 HB3 SER 104 -7.773 -7.849 12.102 829 HG SER 104 HG SER 104 -6.677 -9.624 10.387 830 H CYS 105 HN CYS 105 -8.497 -6.028 11.290 831 HA CYS 105 HA CYS 105 -7.259 -3.390 11.165 832 1HB CYS 105 HB2 CYS 105 -10.061 -4.252 11.929 833 2HB CYS 105 HB3 CYS 105 -9.530 -2.582 11.778 Start of MODEL 17 1 1H MET 1 H1 MET 1 -6.677 16.906 4.135 2 2H MET 1 H2 MET 1 -7.203 16.207 2.683 3 3H MET 1 H3 MET 1 -5.666 16.911 2.771 4 HA MET 1 HA MET 1 -4.922 15.248 4.303 5 1HB MET 1 HB2 MET 1 -6.304 13.449 5.037 6 2HB MET 1 HB3 MET 1 -7.222 14.919 5.316 7 1HG MET 1 HG2 MET 1 -7.596 13.012 3.017 8 2HG MET 1 HG3 MET 1 -8.630 13.143 4.436 9 1HE MET 1 HE1 MET 1 -9.687 13.237 1.432 10 2HE MET 1 HE2 MET 1 -10.749 13.371 2.833 11 3HE MET 1 HE3 MET 1 -10.857 14.554 1.528 12 H GLN 2 HN GLN 2 -4.334 12.986 3.598 13 HA GLN 2 HA GLN 2 -4.133 12.885 0.724 14 1HB GLN 2 HB2 GLN 2 -3.281 10.793 2.736 15 2HB GLN 2 HB3 GLN 2 -2.771 10.909 1.055 16 1HG GLN 2 HG2 GLN 2 -1.824 13.189 1.674 17 2HG GLN 2 HG3 GLN 2 -2.056 12.703 3.350 18 1HE2 GLN 2 HE21 GLN 2 0.389 13.333 1.981 19 2HE2 GLN 2 HE22 GLN 2 1.393 11.923 2.061 20 H ASP 3 HN ASP 3 -5.041 11.328 -0.631 21 HA ASP 3 HA ASP 3 -7.198 9.692 0.494 22 1HB ASP 3 HB2 ASP 3 -8.833 10.522 -1.051 23 2HB ASP 3 HB3 ASP 3 -8.114 11.918 -0.254 24 H TRP 4 HN TRP 4 -8.309 8.850 -1.870 25 HA TRP 4 HA TRP 4 -6.839 6.607 -2.428 26 1HB TRP 4 HB2 TRP 4 -9.206 6.757 -2.895 27 2HB TRP 4 HB3 TRP 4 -8.920 7.971 -4.137 28 HD1 TRP 4 HD1 TRP 4 -9.002 7.013 -6.499 29 HE1 TRP 4 HE1 TRP 4 -8.525 4.724 -7.594 30 HE3 TRP 4 HE3 TRP 4 -7.516 4.435 -2.351 31 HZ2 TRP 4 HZ2 TRP 4 -7.636 2.177 -6.787 32 HZ3 TRP 4 HZ3 TRP 4 -6.881 2.072 -2.587 33 HH2 TRP 4 HH2 TRP 4 -6.928 0.969 -4.767 34 H LEU 5 HN LEU 5 -6.845 9.651 -4.277 35 HA LEU 5 HA LEU 5 -5.479 8.702 -6.523 36 1HB LEU 5 HB2 LEU 5 -5.788 11.402 -5.281 37 2HB LEU 5 HB3 LEU 5 -4.685 11.191 -6.627 38 HG LEU 5 HG LEU 5 -6.871 12.013 -7.355 39 1HD1 LEU 5 HD11 LEU 5 -7.277 10.364 -9.122 40 2HD1 LEU 5 HD12 LEU 5 -5.558 10.689 -8.899 41 3HD1 LEU 5 HD13 LEU 5 -6.266 9.206 -8.258 42 1HD2 LEU 5 HD21 LEU 5 -7.930 9.412 -6.268 43 2HD2 LEU 5 HD22 LEU 5 -8.304 11.030 -5.676 44 3HD2 LEU 5 HD23 LEU 5 -8.837 10.534 -7.283 45 H THR 6 HN THR 6 -4.174 10.194 -3.576 46 HA THR 6 HA THR 6 -1.450 9.786 -4.421 47 HB THR 6 HB THR 6 -2.511 10.525 -1.677 48 HG1 THR 6 HG1 THR 6 -3.005 12.341 -2.636 49 1HG2 THR 6 HG21 THR 6 -0.280 11.460 -1.318 50 2HG2 THR 6 HG22 THR 6 0.218 10.914 -2.918 51 3HG2 THR 6 HG23 THR 6 -0.187 9.736 -1.669 52 H PHE 7 HN PHE 7 -3.798 8.182 -2.367 53 HA PHE 7 HA PHE 7 -2.203 6.325 -1.056 54 1HB PHE 7 HB2 PHE 7 -4.641 6.660 -0.673 55 2HB PHE 7 HB3 PHE 7 -4.972 5.880 -2.213 56 HD1 PHE 7 HD1 PHE 7 -4.303 5.412 1.285 57 HD2 PHE 7 HD2 PHE 7 -4.403 3.446 -2.489 58 HE1 PHE 7 HE1 PHE 7 -4.394 3.231 2.425 59 HE2 PHE 7 HE2 PHE 7 -4.492 1.265 -1.355 60 HZ PHE 7 HZ PHE 7 -4.491 1.155 1.105 61 H GLN 8 HN GLN 8 -3.660 6.183 -4.278 62 HA GLN 8 HA GLN 8 -2.794 3.699 -5.127 63 1HB GLN 8 HB2 GLN 8 -3.374 6.292 -6.456 64 2HB GLN 8 HB3 GLN 8 -2.561 5.047 -7.381 65 1HG GLN 8 HG2 GLN 8 -4.413 3.505 -6.885 66 2HG GLN 8 HG3 GLN 8 -5.232 4.807 -6.018 67 1HE2 GLN 8 HE21 GLN 8 -6.060 6.557 -7.188 68 2HE2 GLN 8 HE22 GLN 8 -6.311 6.479 -8.897 69 H LYS 9 HN LYS 9 -1.186 6.812 -5.649 70 HA LYS 9 HA LYS 9 1.062 5.987 -6.986 71 1HB LYS 9 HB2 LYS 9 0.995 8.130 -4.852 72 2HB LYS 9 HB3 LYS 9 2.141 8.008 -6.179 73 1HG LYS 9 HG2 LYS 9 -0.816 8.462 -6.506 74 2HG LYS 9 HG3 LYS 9 0.410 9.728 -6.517 75 1HD LYS 9 HD2 LYS 9 0.288 7.407 -8.434 76 2HD LYS 9 HD3 LYS 9 -0.262 9.048 -8.781 77 1HE LYS 9 HE2 LYS 9 2.011 9.885 -8.421 78 2HE LYS 9 HE3 LYS 9 2.559 8.250 -8.056 79 1HZ LYS 9 HZ1 LYS 9 2.057 7.576 -10.289 80 2HZ LYS 9 HZ2 LYS 9 3.054 8.946 -10.340 81 3HZ LYS 9 HZ3 LYS 9 1.393 9.095 -10.653 82 H LYS 10 HN LYS 10 0.412 5.952 -3.562 83 HA LYS 10 HA LYS 10 3.187 5.276 -2.953 84 1HB LYS 10 HB2 LYS 10 0.908 5.973 -1.095 85 2HB LYS 10 HB3 LYS 10 2.581 5.738 -0.614 86 1HG LYS 10 HG2 LYS 10 3.214 7.636 -2.084 87 2HG LYS 10 HG3 LYS 10 1.502 7.904 -2.404 88 1HD LYS 10 HD2 LYS 10 2.113 9.427 -0.694 89 2HD LYS 10 HD3 LYS 10 1.196 8.139 0.090 90 1HE LYS 10 HE2 LYS 10 3.228 7.109 0.876 91 2HE LYS 10 HE3 LYS 10 4.206 8.272 -0.019 92 1HZ LYS 10 HZ1 LYS 10 3.148 10.032 1.379 93 2HZ LYS 10 HZ2 LYS 10 4.158 8.967 2.224 94 3HZ LYS 10 HZ3 LYS 10 2.475 8.797 2.334 95 H HIS 11 HN HIS 11 0.280 3.551 -3.393 96 HA HIS 11 HA HIS 11 1.406 1.354 -1.793 97 1HB HIS 11 HB2 HIS 11 -1.489 2.209 -1.737 98 2HB HIS 11 HB3 HIS 11 -0.841 0.776 -0.949 99 HD1 HIS 11 HD1 HIS 11 1.047 1.322 0.957 100 HD2 HIS 11 HD2 HIS 11 -1.422 4.458 -0.210 101 HE1 HIS 11 HE1 HIS 11 1.247 3.056 2.771 102 HE2 HIS 11 HE2 HIS 11 -0.086 5.028 1.927 103 H ILE 12 HN ILE 12 0.156 2.275 -4.777 104 HA ILE 12 HA ILE 12 -0.655 -0.488 -5.380 105 HB ILE 12 HB ILE 12 -1.204 2.044 -6.943 106 1HG1 ILE 12 HG12 ILE 12 -2.503 1.934 -4.891 107 2HG1 ILE 12 HG13 ILE 12 -3.548 1.674 -6.280 108 1HG2 ILE 12 HG21 ILE 12 -2.138 -0.778 -7.453 109 2HG2 ILE 12 HG22 ILE 12 -2.689 0.658 -8.319 110 3HG2 ILE 12 HG23 ILE 12 -1.006 0.146 -8.439 111 1HD1 ILE 12 HD11 ILE 12 -3.505 -0.730 -5.845 112 2HD1 ILE 12 HD12 ILE 12 -2.477 -0.450 -4.440 113 3HD1 ILE 12 HD13 ILE 12 -4.124 0.183 -4.468 114 H THR 13 HN THR 13 0.881 -1.700 -6.245 115 HA THR 13 HA THR 13 2.642 -0.469 -8.252 116 HB THR 13 HB THR 13 3.936 -0.906 -6.175 117 HG1 THR 13 HG1 THR 13 4.778 -1.186 -8.435 118 1HG2 THR 13 HG21 THR 13 4.443 -3.229 -5.547 119 2HG2 THR 13 HG22 THR 13 3.252 -3.798 -6.720 120 3HG2 THR 13 HG23 THR 13 2.733 -2.848 -5.327 121 H ASN 14 HN ASN 14 3.355 -1.903 -9.935 122 HA ASN 14 HA ASN 14 1.398 -4.061 -10.371 123 1HB ASN 14 HB2 ASN 14 2.886 -2.416 -12.427 124 2HB ASN 14 HB3 ASN 14 1.690 -3.659 -12.774 125 1HD2 ASN 14 HD21 ASN 14 -0.025 -2.841 -10.522 126 2HD2 ASN 14 HD22 ASN 14 -0.784 -1.372 -11.026 127 H THR 15 HN THR 15 4.292 -3.863 -9.221 128 HA THR 15 HA THR 15 5.235 -6.278 -10.607 129 HB THR 15 HB THR 15 6.641 -4.382 -11.328 130 HG1 THR 15 HG1 THR 15 7.500 -6.612 -10.689 131 1HG2 THR 15 HG21 THR 15 7.289 -4.068 -8.394 132 2HG2 THR 15 HG22 THR 15 6.373 -2.928 -9.381 133 3HG2 THR 15 HG23 THR 15 8.081 -3.214 -9.718 134 H ARG 16 HN ARG 16 6.547 -7.700 -9.214 135 HA ARG 16 HA ARG 16 5.495 -7.714 -6.530 136 1HB ARG 16 HB2 ARG 16 7.386 -9.582 -7.959 137 2HB ARG 16 HB3 ARG 16 6.913 -9.781 -6.276 138 1HG ARG 16 HG2 ARG 16 5.052 -9.789 -8.632 139 2HG ARG 16 HG3 ARG 16 5.581 -11.199 -7.708 140 1HD ARG 16 HD2 ARG 16 4.138 -8.852 -6.511 141 2HD ARG 16 HD3 ARG 16 3.318 -10.304 -7.081 142 HE ARG 16 HE ARG 16 4.719 -11.510 -5.373 143 1HH1 ARG 16 HH12 ARG 16 3.970 -8.103 -5.005 144 2HH1 ARG 16 HH11 ARG 16 4.042 -8.143 -3.276 145 1HH2 ARG 16 HH22 ARG 16 4.755 -11.574 -3.086 146 2HH2 ARG 16 HH21 ARG 16 4.454 -10.120 -2.182 147 H ASP 17 HN ASP 17 8.760 -7.479 -7.948 148 HA ASP 17 HA ASP 17 9.751 -6.636 -5.358 149 1HB ASP 17 HB2 ASP 17 11.982 -6.746 -6.485 150 2HB ASP 17 HB3 ASP 17 11.132 -8.276 -6.401 151 H VAL 18 HN VAL 18 8.530 -4.678 -5.414 152 HA VAL 18 HA VAL 18 9.074 -2.594 -7.250 153 HB VAL 18 HB VAL 18 7.099 -2.331 -5.961 154 1HG1 VAL 18 HG11 VAL 18 7.569 -3.733 -4.058 155 2HG1 VAL 18 HG12 VAL 18 8.811 -2.610 -3.497 156 3HG1 VAL 18 HG13 VAL 18 7.115 -2.123 -3.491 157 1HG2 VAL 18 HG21 VAL 18 7.488 -0.196 -4.726 158 2HG2 VAL 18 HG22 VAL 18 9.220 -0.439 -4.977 159 3HG2 VAL 18 HG23 VAL 18 8.147 -0.229 -6.363 160 H ASP 19 HN ASP 19 10.756 -1.193 -7.361 161 HA ASP 19 HA ASP 19 13.049 -1.707 -5.738 162 1HB ASP 19 HB2 ASP 19 13.110 -0.970 -8.174 163 2HB ASP 19 HB3 ASP 19 12.704 0.645 -7.602 164 H CYS 20 HN CYS 20 12.253 -1.299 -3.674 165 HA CYS 20 HA CYS 20 11.057 0.984 -2.714 166 1HB CYS 20 HB2 CYS 20 13.150 -0.513 -1.156 167 2HB CYS 20 HB3 CYS 20 11.692 0.277 -0.560 168 H ASP 21 HN ASP 21 14.529 0.307 -3.000 169 HA ASP 21 HA ASP 21 15.461 2.530 -1.612 170 1HB ASP 21 HB2 ASP 21 16.743 0.971 -3.850 171 2HB ASP 21 HB3 ASP 21 17.588 2.196 -2.909 172 H ASN 22 HN ASN 22 14.688 2.218 -5.059 173 HA ASN 22 HA ASN 22 15.510 4.952 -5.578 174 1HB ASN 22 HB2 ASN 22 15.802 3.205 -7.295 175 2HB ASN 22 HB3 ASN 22 14.064 2.976 -7.355 176 1HD2 ASN 22 HD21 ASN 22 12.788 4.456 -8.428 177 2HD2 ASN 22 HD22 ASN 22 13.441 5.714 -9.416 178 H ILE 23 HN ILE 23 12.473 3.144 -5.683 179 HA ILE 23 HA ILE 23 10.894 5.336 -6.449 180 HB ILE 23 HB ILE 23 10.121 2.743 -5.114 181 1HG1 ILE 23 HG12 ILE 23 10.001 3.725 -7.974 182 2HG1 ILE 23 HG13 ILE 23 11.115 2.524 -7.334 183 1HG2 ILE 23 HG21 ILE 23 8.314 4.801 -6.378 184 2HG2 ILE 23 HG22 ILE 23 7.821 3.216 -5.785 185 3HG2 ILE 23 HG23 ILE 23 8.411 4.437 -4.656 186 1HD1 ILE 23 HD11 ILE 23 8.128 2.210 -7.471 187 2HD1 ILE 23 HD12 ILE 23 9.284 1.531 -8.617 188 3HD1 ILE 23 HD13 ILE 23 9.291 0.997 -6.938 189 H LEU 24 HN LEU 24 11.741 4.115 -3.220 190 HA LEU 24 HA LEU 24 9.906 5.927 -1.923 191 1HB LEU 24 HB2 LEU 24 12.189 4.426 -0.650 192 2HB LEU 24 HB3 LEU 24 10.816 5.145 0.164 193 HG LEU 24 HG LEU 24 10.770 2.730 -1.644 194 1HD1 LEU 24 HD11 LEU 24 11.664 2.319 0.584 195 2HD1 LEU 24 HD12 LEU 24 10.226 3.046 1.300 196 3HD1 LEU 24 HD13 LEU 24 10.089 1.553 0.373 197 1HD2 LEU 24 HD21 LEU 24 8.507 4.122 -0.233 198 2HD2 LEU 24 HD22 LEU 24 8.747 4.008 -1.977 199 3HD2 LEU 24 HD23 LEU 24 8.411 2.554 -1.037 200 H SER 25 HN SER 25 12.893 6.295 -3.361 201 HA SER 25 HA SER 25 13.997 8.225 -1.523 202 1HB SER 25 HB2 SER 25 15.473 6.792 -2.872 203 2HB SER 25 HB3 SER 25 14.812 7.486 -4.349 204 HG SER 25 HG SER 25 16.217 8.931 -2.331 205 H THR 26 HN THR 26 11.552 8.284 -3.771 206 HA THR 26 HA THR 26 11.944 10.904 -4.858 207 HB THR 26 HB THR 26 9.585 10.705 -5.591 208 HG1 THR 26 HG1 THR 26 9.461 8.053 -4.689 209 1HG2 THR 26 HG21 THR 26 11.316 9.779 -7.014 210 2HG2 THR 26 HG22 THR 26 9.894 8.736 -7.058 211 3HG2 THR 26 HG23 THR 26 11.300 8.272 -6.098 212 H ASN 27 HN ASN 27 10.129 12.587 -4.502 213 HA ASN 27 HA ASN 27 10.115 13.224 -1.688 214 1HB ASN 27 HB2 ASN 27 10.377 14.893 -3.592 215 2HB ASN 27 HB3 ASN 27 8.657 14.686 -3.898 216 1HD2 ASN 27 HD21 ASN 27 11.055 15.920 -1.714 217 2HD2 ASN 27 HD22 ASN 27 9.986 16.896 -0.768 218 H LEU 28 HN LEU 28 8.226 11.364 -3.667 219 HA LEU 28 HA LEU 28 5.626 11.896 -2.618 220 1HB LEU 28 HB2 LEU 28 5.986 10.877 -4.818 221 2HB LEU 28 HB3 LEU 28 6.732 9.484 -4.060 222 HG LEU 28 HG LEU 28 4.556 8.973 -2.962 223 1HD1 LEU 28 HD11 LEU 28 3.621 11.226 -2.974 224 2HD1 LEU 28 HD12 LEU 28 3.524 11.185 -4.734 225 3HD1 LEU 28 HD13 LEU 28 2.540 10.081 -3.771 226 1HD2 LEU 28 HD21 LEU 28 3.468 8.143 -4.997 227 2HD2 LEU 28 HD22 LEU 28 4.515 9.175 -5.973 228 3HD2 LEU 28 HD23 LEU 28 5.209 7.859 -5.026 229 H PHE 29 HN PHE 29 8.231 9.662 -1.855 230 HA PHE 29 HA PHE 29 6.664 8.649 0.421 231 1HB PHE 29 HB2 PHE 29 9.151 7.490 -0.854 232 2HB PHE 29 HB3 PHE 29 8.249 6.777 0.482 233 HD1 PHE 29 HD1 PHE 29 8.371 7.337 -3.101 234 HD2 PHE 29 HD2 PHE 29 6.026 5.837 0.113 235 HE1 PHE 29 HE1 PHE 29 6.934 6.149 -4.704 236 HE2 PHE 29 HE2 PHE 29 4.588 4.649 -1.482 237 HZ PHE 29 HZ PHE 29 5.024 4.835 -3.906 238 H HIS 30 HN HIS 30 9.716 10.090 -0.533 239 HA HIS 30 HA HIS 30 11.165 11.434 0.566 240 1HB HIS 30 HB2 HIS 30 8.933 12.417 1.365 241 2HB HIS 30 HB3 HIS 30 9.219 11.543 2.866 242 HD1 HIS 30 HD1 HIS 30 10.590 12.723 4.578 243 HD2 HIS 30 HD2 HIS 30 11.083 14.321 0.768 244 HE1 HIS 30 HE1 HIS 30 12.011 14.777 4.883 245 HE2 HIS 30 HE2 HIS 30 12.390 15.671 2.555 246 H CYS 31 HN CYS 31 11.292 8.573 0.877 247 HA CYS 31 HA CYS 31 12.327 6.945 2.065 248 1HB CYS 31 HB2 CYS 31 13.820 9.285 3.267 249 2HB CYS 31 HB3 CYS 31 14.351 7.605 3.267 250 H LYS 32 HN LYS 32 10.050 6.963 3.137 251 HA LYS 32 HA LYS 32 9.970 7.728 5.899 252 1HB LYS 32 HB2 LYS 32 7.774 6.757 5.936 253 2HB LYS 32 HB3 LYS 32 7.954 7.669 4.448 254 1HG LYS 32 HG2 LYS 32 8.557 5.390 3.390 255 2HG LYS 32 HG3 LYS 32 7.821 4.708 4.844 256 1HD LYS 32 HD2 LYS 32 6.527 6.494 2.787 257 2HD LYS 32 HD3 LYS 32 6.131 4.818 3.154 258 1HE LYS 32 HE2 LYS 32 5.797 7.142 5.044 259 2HE LYS 32 HE3 LYS 32 4.504 6.423 4.090 260 1HZ LYS 32 HZ1 LYS 32 6.102 4.842 6.021 261 2HZ LYS 32 HZ2 LYS 32 4.601 4.452 5.334 262 3HZ LYS 32 HZ3 LYS 32 4.714 5.695 6.480 263 H ASP 33 HN ASP 33 9.225 5.944 7.515 264 HA ASP 33 HA ASP 33 11.453 4.319 8.006 265 1HB ASP 33 HB2 ASP 33 9.887 5.144 9.737 266 2HB ASP 33 HB3 ASP 33 8.653 4.051 9.125 267 H LYS 34 HN LYS 34 8.171 3.345 6.966 268 HA LYS 34 HA LYS 34 9.353 1.409 5.197 269 1HB LYS 34 HB2 LYS 34 8.379 -0.573 6.036 270 2HB LYS 34 HB3 LYS 34 9.169 0.188 7.403 271 1HG LYS 34 HG2 LYS 34 6.282 0.734 6.964 272 2HG LYS 34 HG3 LYS 34 6.758 -0.844 7.590 273 1HD LYS 34 HD2 LYS 34 8.034 0.331 9.381 274 2HD LYS 34 HD3 LYS 34 7.353 1.851 8.796 275 1HE LYS 34 HE2 LYS 34 5.118 1.093 9.279 276 2HE LYS 34 HE3 LYS 34 5.717 -0.510 9.711 277 1HZ LYS 34 HZ1 LYS 34 6.377 2.001 11.151 278 2HZ LYS 34 HZ2 LYS 34 6.869 0.440 11.588 279 3HZ LYS 34 HZ3 LYS 34 5.226 0.863 11.656 280 H ASN 35 HN ASN 35 7.724 0.342 3.845 281 HA ASN 35 HA ASN 35 5.066 1.507 3.836 282 1HB ASN 35 HB2 ASN 35 6.494 3.104 2.506 283 2HB ASN 35 HB3 ASN 35 6.822 1.785 1.391 284 1HD2 ASN 35 HD21 ASN 35 5.828 2.690 -0.353 285 2HD2 ASN 35 HD22 ASN 35 4.116 2.918 -0.463 286 H THR 36 HN THR 36 3.640 -0.003 3.206 287 HA THR 36 HA THR 36 4.653 -2.408 1.881 288 HB THR 36 HB THR 36 1.954 -1.955 3.178 289 HG1 THR 36 HG1 THR 36 3.846 -3.671 4.320 290 1HG2 THR 36 HG21 THR 36 1.950 -3.728 1.484 291 2HG2 THR 36 HG22 THR 36 1.772 -4.400 3.104 292 3HG2 THR 36 HG23 THR 36 3.326 -4.493 2.275 293 H PHE 37 HN PHE 37 4.417 -2.557 -0.236 294 HA PHE 37 HA PHE 37 2.353 -0.982 -1.593 295 1HB PHE 37 HB2 PHE 37 4.648 -2.621 -2.693 296 2HB PHE 37 HB3 PHE 37 3.494 -1.731 -3.676 297 HD1 PHE 37 HD1 PHE 37 6.161 -1.341 -1.122 298 HD2 PHE 37 HD2 PHE 37 3.797 0.542 -4.123 299 HE1 PHE 37 HE1 PHE 37 7.543 0.675 -0.945 300 HE2 PHE 37 HE2 PHE 37 5.198 2.552 -3.960 301 HZ PHE 37 HZ PHE 37 7.175 2.540 -2.462 302 H ILE 38 HN ILE 38 0.832 -1.904 -2.934 303 HA ILE 38 HA ILE 38 0.226 -4.718 -2.339 304 HB ILE 38 HB ILE 38 -1.626 -2.568 -3.384 305 1HG1 ILE 38 HG12 ILE 38 -1.536 -3.666 -0.574 306 2HG1 ILE 38 HG13 ILE 38 -0.675 -2.205 -1.045 307 1HG2 ILE 38 HG21 ILE 38 -3.407 -4.124 -2.773 308 2HG2 ILE 38 HG22 ILE 38 -2.309 -4.844 -3.950 309 3HG2 ILE 38 HG23 ILE 38 -2.204 -5.302 -2.249 310 1HD1 ILE 38 HD11 ILE 38 -3.650 -2.621 -1.223 311 2HD1 ILE 38 HD12 ILE 38 -2.800 -1.693 0.013 312 3HD1 ILE 38 HD13 ILE 38 -2.776 -1.154 -1.665 313 H TYR 39 HN TYR 39 0.814 -6.064 -3.918 314 HA TYR 39 HA TYR 39 1.028 -5.186 -6.650 315 1HB TYR 39 HB2 TYR 39 2.590 -6.883 -5.884 316 2HB TYR 39 HB3 TYR 39 1.263 -7.949 -5.435 317 HD1 TYR 39 HD1 TYR 39 2.697 -6.185 -8.388 318 HD2 TYR 39 HD2 TYR 39 0.518 -9.544 -6.954 319 HE1 TYR 39 HE1 TYR 39 2.718 -7.155 -10.642 320 HE2 TYR 39 HE2 TYR 39 0.532 -10.521 -9.211 321 HH TYR 39 HH TYR 39 0.754 -9.796 -11.531 322 H SER 40 HN SER 40 -0.903 -4.555 -7.320 323 HA SER 40 HA SER 40 -2.726 -6.408 -8.345 324 1HB SER 40 HB2 SER 40 -3.332 -6.621 -5.896 325 2HB SER 40 HB3 SER 40 -3.764 -4.918 -5.906 326 HG SER 40 HG SER 40 -5.637 -5.985 -6.287 327 H ARG 41 HN ARG 41 -4.926 -4.951 -8.783 328 HA ARG 41 HA ARG 41 -3.849 -2.445 -9.837 329 1HB ARG 41 HB2 ARG 41 -6.226 -4.094 -10.633 330 2HB ARG 41 HB3 ARG 41 -6.060 -2.425 -11.143 331 1HG ARG 41 HG2 ARG 41 -4.114 -4.645 -11.708 332 2HG ARG 41 HG3 ARG 41 -5.245 -3.930 -12.858 333 1HD ARG 41 HD2 ARG 41 -4.155 -1.764 -12.580 334 2HD ARG 41 HD3 ARG 41 -3.028 -2.472 -11.427 335 HE ARG 41 HE ARG 41 -2.679 -3.979 -13.656 336 1HH1 ARG 41 HH12 ARG 41 -2.660 -0.533 -13.024 337 2HH1 ARG 41 HH11 ARG 41 -1.480 -0.185 -14.251 338 1HH2 ARG 41 HH22 ARG 41 -1.129 -3.524 -15.271 339 2HH2 ARG 41 HH21 ARG 41 -0.623 -1.884 -15.539 340 HA PRO 42 HA PRO 42 -5.913 0.166 -7.042 341 1HB PRO 42 HB2 PRO 42 -6.962 2.028 -8.807 342 2HB PRO 42 HB3 PRO 42 -5.304 2.028 -8.203 343 1HG PRO 42 HG2 PRO 42 -6.387 1.024 -10.791 344 2HG PRO 42 HG3 PRO 42 -4.868 1.867 -10.467 345 1HD PRO 42 HD2 PRO 42 -4.965 -0.786 -10.885 346 2HD PRO 42 HD3 PRO 42 -3.815 -0.055 -9.739 347 H GLU 43 HN GLU 43 -7.758 -1.024 -9.807 348 HA GLU 43 HA GLU 43 -10.254 -0.002 -8.941 349 1HB GLU 43 HB2 GLU 43 -9.559 -2.183 -10.891 350 2HB GLU 43 HB3 GLU 43 -11.173 -1.558 -10.648 351 1HG GLU 43 HG2 GLU 43 -8.785 -0.038 -11.644 352 2HG GLU 43 HG3 GLU 43 -10.188 -0.538 -12.581 353 HA PRO 44 HA PRO 44 -11.104 -4.547 -7.367 354 1HB PRO 44 HB2 PRO 44 -8.830 -6.012 -6.873 355 2HB PRO 44 HB3 PRO 44 -9.811 -6.159 -8.332 356 1HG PRO 44 HG2 PRO 44 -7.281 -4.627 -7.887 357 2HG PRO 44 HG3 PRO 44 -7.769 -5.606 -9.284 358 1HD PRO 44 HD2 PRO 44 -7.925 -2.925 -9.330 359 2HD PRO 44 HD3 PRO 44 -9.131 -3.935 -10.123 360 H VAL 45 HN VAL 45 -8.449 -2.524 -6.405 361 HA VAL 45 HA VAL 45 -8.612 -3.359 -3.620 362 HB VAL 45 HB VAL 45 -6.947 -1.194 -4.925 363 1HG1 VAL 45 HG11 VAL 45 -7.392 -0.638 -2.593 364 2HG1 VAL 45 HG12 VAL 45 -6.853 -2.242 -2.094 365 3HG1 VAL 45 HG13 VAL 45 -5.708 -1.109 -2.811 366 1HG2 VAL 45 HG21 VAL 45 -6.185 -3.926 -3.902 367 2HG2 VAL 45 HG22 VAL 45 -6.302 -3.446 -5.595 368 3HG2 VAL 45 HG23 VAL 45 -5.076 -2.720 -4.555 369 H LYS 46 HN LYS 46 -9.503 -0.618 -5.652 370 HA LYS 46 HA LYS 46 -10.556 0.975 -3.542 371 1HB LYS 46 HB2 LYS 46 -9.918 1.807 -5.827 372 2HB LYS 46 HB3 LYS 46 -11.349 1.009 -6.459 373 1HG LYS 46 HG2 LYS 46 -12.771 2.427 -5.101 374 2HG LYS 46 HG3 LYS 46 -11.352 3.195 -4.391 375 1HD LYS 46 HD2 LYS 46 -10.682 3.965 -6.633 376 2HD LYS 46 HD3 LYS 46 -12.165 3.268 -7.289 377 1HE LYS 46 HE2 LYS 46 -12.025 5.417 -5.178 378 2HE LYS 46 HE3 LYS 46 -12.364 5.681 -6.884 379 1HZ LYS 46 HZ1 LYS 46 -14.020 4.120 -4.985 380 2HZ LYS 46 HZ2 LYS 46 -14.330 4.254 -6.646 381 3HZ LYS 46 HZ3 LYS 46 -14.404 5.628 -5.653 382 H ALA 47 HN ALA 47 -11.731 -1.649 -5.473 383 HA ALA 47 HA ALA 47 -14.494 -1.408 -4.940 384 1HB ALA 47 HB1 ALA 47 -12.886 -3.876 -5.596 385 2HB ALA 47 HB2 ALA 47 -14.643 -3.736 -5.678 386 3HB ALA 47 HB3 ALA 47 -13.631 -2.781 -6.759 387 H ILE 48 HN ILE 48 -11.856 -2.494 -3.000 388 HA ILE 48 HA ILE 48 -13.254 -4.135 -1.178 389 HB ILE 48 HB ILE 48 -10.862 -2.366 -0.593 390 1HG1 ILE 48 HG12 ILE 48 -10.933 -5.269 -1.450 391 2HG1 ILE 48 HG13 ILE 48 -10.538 -3.926 -2.517 392 1HG2 ILE 48 HG21 ILE 48 -10.402 -3.970 1.201 393 2HG2 ILE 48 HG22 ILE 48 -11.966 -3.186 1.422 394 3HG2 ILE 48 HG23 ILE 48 -11.888 -4.837 0.807 395 1HD1 ILE 48 HD11 ILE 48 -9.002 -4.750 -0.067 396 2HD1 ILE 48 HD12 ILE 48 -8.542 -5.066 -1.740 397 3HD1 ILE 48 HD13 ILE 48 -8.596 -3.408 -1.138 398 H CYS 49 HN CYS 49 -13.018 -0.704 -1.626 399 HA CYS 49 HA CYS 49 -14.430 -0.202 0.891 400 1HB CYS 49 HB2 CYS 49 -12.969 1.649 -0.996 401 2HB CYS 49 HB3 CYS 49 -13.778 2.161 0.483 402 H LYS 50 HN LYS 50 -15.420 -1.138 -1.900 403 HA LYS 50 HA LYS 50 -17.130 0.853 -2.925 404 1HB LYS 50 HB2 LYS 50 -16.492 -1.222 -4.132 405 2HB LYS 50 HB3 LYS 50 -17.485 -2.149 -3.018 406 1HG LYS 50 HG2 LYS 50 -19.480 -1.029 -3.812 407 2HG LYS 50 HG3 LYS 50 -18.505 -0.011 -4.876 408 1HD LYS 50 HD2 LYS 50 -19.488 -1.837 -6.139 409 2HD LYS 50 HD3 LYS 50 -17.735 -2.023 -6.067 410 1HE LYS 50 HE2 LYS 50 -18.060 -3.591 -4.153 411 2HE LYS 50 HE3 LYS 50 -19.797 -3.495 -4.434 412 1HZ LYS 50 HZ1 LYS 50 -19.322 -4.283 -6.745 413 2HZ LYS 50 HZ2 LYS 50 -19.008 -5.420 -5.525 414 3HZ LYS 50 HZ3 LYS 50 -17.726 -4.590 -6.255 415 H GLY 51 HN GLY 51 -18.637 1.847 -1.787 416 1HA GLY 51 HA1 GLY 51 -20.859 1.818 -0.939 417 2HA GLY 51 HA2 GLY 51 -20.560 0.213 -0.294 418 H ILE 52 HN ILE 52 -17.852 1.914 0.438 419 HA ILE 52 HA ILE 52 -18.885 2.467 3.135 420 HB ILE 52 HB ILE 52 -15.980 2.315 2.362 421 1HG1 ILE 52 HG12 ILE 52 -17.017 0.189 1.724 422 2HG1 ILE 52 HG13 ILE 52 -15.980 -0.020 3.128 423 1HG2 ILE 52 HG21 ILE 52 -17.418 1.971 4.987 424 2HG2 ILE 52 HG22 ILE 52 -15.677 1.815 4.744 425 3HG2 ILE 52 HG23 ILE 52 -16.468 3.371 4.489 426 1HD1 ILE 52 HD11 ILE 52 -18.980 0.183 3.162 427 2HD1 ILE 52 HD12 ILE 52 -18.027 -1.289 3.355 428 3HD1 ILE 52 HD13 ILE 52 -17.943 -0.018 4.576 429 H ILE 53 HN ILE 53 -19.688 4.561 2.900 430 HA ILE 53 HA ILE 53 -18.067 6.595 1.651 431 HB ILE 53 HB ILE 53 -20.798 6.617 2.911 432 1HG1 ILE 53 HG12 ILE 53 -21.484 7.279 0.631 433 2HG1 ILE 53 HG13 ILE 53 -19.820 7.153 0.096 434 1HG2 ILE 53 HG21 ILE 53 -19.736 8.729 3.495 435 2HG2 ILE 53 HG22 ILE 53 -19.306 8.992 1.805 436 3HG2 ILE 53 HG23 ILE 53 -21.001 8.976 2.292 437 1HD1 ILE 53 HD11 ILE 53 -19.875 4.754 0.607 438 2HD1 ILE 53 HD12 ILE 53 -21.568 4.911 1.080 439 3HD1 ILE 53 HD13 ILE 53 -21.085 5.221 -0.590 440 H ALA 54 HN ALA 54 -19.417 6.056 4.918 441 HA ALA 54 HA ALA 54 -17.959 8.216 6.082 442 1HB ALA 54 HB1 ALA 54 -18.683 7.310 8.224 443 2HB ALA 54 HB2 ALA 54 -20.024 7.353 7.080 444 3HB ALA 54 HB3 ALA 54 -19.213 5.826 7.431 445 H SER 55 HN SER 55 -16.017 8.261 7.066 446 HA SER 55 HA SER 55 -13.975 6.605 6.247 447 1HB SER 55 HB2 SER 55 -13.947 8.936 7.424 448 2HB SER 55 HB3 SER 55 -13.833 7.994 8.909 449 HG SER 55 HG SER 55 -11.951 8.476 6.972 450 H LYS 56 HN LYS 56 -13.864 4.483 6.554 451 HA LYS 56 HA LYS 56 -14.116 3.350 9.234 452 1HB LYS 56 HB2 LYS 56 -16.390 3.338 8.320 453 2HB LYS 56 HB3 LYS 56 -15.823 2.516 6.878 454 1HG LYS 56 HG2 LYS 56 -15.246 0.558 8.239 455 2HG LYS 56 HG3 LYS 56 -15.849 1.397 9.673 456 1HD LYS 56 HD2 LYS 56 -18.063 1.557 8.667 457 2HD LYS 56 HD3 LYS 56 -17.472 0.764 7.208 458 1HE LYS 56 HE2 LYS 56 -16.988 -1.255 8.509 459 2HE LYS 56 HE3 LYS 56 -17.591 -0.458 9.964 460 1HZ LYS 56 HZ1 LYS 56 -19.268 -1.898 8.945 461 2HZ LYS 56 HZ2 LYS 56 -19.189 -0.996 7.514 462 3HZ LYS 56 HZ3 LYS 56 -19.764 -0.274 8.935 463 H ASN 57 HN ASN 57 -12.474 1.960 9.497 464 HA ASN 57 HA ASN 57 -10.955 1.065 7.222 465 1HB ASN 57 HB2 ASN 57 -9.491 -0.030 8.913 466 2HB ASN 57 HB3 ASN 57 -9.737 1.685 9.222 467 1HD2 ASN 57 HD21 ASN 57 -10.203 -1.521 10.360 468 2HD2 ASN 57 HD22 ASN 57 -10.848 -1.101 11.905 469 H VAL 58 HN VAL 58 -11.088 -0.819 6.201 470 HA VAL 58 HA VAL 58 -12.762 -2.913 7.420 471 HB VAL 58 HB VAL 58 -13.779 -3.427 5.340 472 1HG1 VAL 58 HG11 VAL 58 -14.959 -1.362 4.769 473 2HG1 VAL 58 HG12 VAL 58 -14.804 -1.575 6.511 474 3HG1 VAL 58 HG13 VAL 58 -13.754 -0.438 5.665 475 1HG2 VAL 58 HG21 VAL 58 -11.865 -3.153 3.874 476 2HG2 VAL 58 HG22 VAL 58 -13.265 -2.286 3.239 477 3HG2 VAL 58 HG23 VAL 58 -11.971 -1.401 4.045 478 H LEU 59 HN LEU 59 -12.017 -4.958 7.316 479 HA LEU 59 HA LEU 59 -9.298 -5.321 6.334 480 1HB LEU 59 HB2 LEU 59 -10.071 -5.906 8.680 481 2HB LEU 59 HB3 LEU 59 -10.992 -7.204 7.967 482 HG LEU 59 HG LEU 59 -8.650 -7.659 9.027 483 1HD1 LEU 59 HD11 LEU 59 -8.315 -9.530 7.510 484 2HD1 LEU 59 HD12 LEU 59 -10.011 -9.345 7.951 485 3HD1 LEU 59 HD13 LEU 59 -9.449 -8.808 6.370 486 1HD2 LEU 59 HD21 LEU 59 -6.834 -7.606 7.405 487 2HD2 LEU 59 HD22 LEU 59 -7.889 -6.794 6.247 488 3HD2 LEU 59 HD23 LEU 59 -7.437 -5.985 7.747 489 H THR 60 HN THR 60 -8.748 -6.814 4.776 490 HA THR 60 HA THR 60 -10.745 -7.273 2.805 491 HB THR 60 HB THR 60 -8.905 -8.438 1.563 492 HG1 THR 60 HG1 THR 60 -7.241 -9.050 2.694 493 1HG2 THR 60 HG21 THR 60 -7.570 -6.388 1.224 494 2HG2 THR 60 HG22 THR 60 -8.329 -5.681 2.649 495 3HG2 THR 60 HG23 THR 60 -9.304 -6.072 1.232 496 H THR 61 HN THR 61 -11.249 -9.270 1.788 497 HA THR 61 HA THR 61 -11.943 -11.268 3.737 498 HB THR 61 HB THR 61 -13.034 -12.310 1.666 499 HG1 THR 61 HG1 THR 61 -12.940 -11.203 -0.187 500 1HG2 THR 61 HG21 THR 61 -14.295 -11.021 3.313 501 2HG2 THR 61 HG22 THR 61 -14.863 -10.650 1.685 502 3HG2 THR 61 HG23 THR 61 -13.806 -9.517 2.530 503 H SER 62 HN SER 62 -9.468 -10.789 1.450 504 HA SER 62 HA SER 62 -8.504 -13.524 1.817 505 1HB SER 62 HB2 SER 62 -8.705 -12.177 -0.893 506 2HB SER 62 HB3 SER 62 -8.005 -13.763 -0.573 507 HG SER 62 HG SER 62 -10.385 -13.863 0.467 508 H GLU 63 HN GLU 63 -6.212 -13.745 1.117 509 HA GLU 63 HA GLU 63 -4.688 -11.454 1.969 510 1HB GLU 63 HB2 GLU 63 -3.532 -13.997 0.836 511 2HB GLU 63 HB3 GLU 63 -2.777 -12.856 1.932 512 1HG GLU 63 HG2 GLU 63 -3.262 -14.614 3.325 513 2HG GLU 63 HG3 GLU 63 -4.653 -13.559 3.572 514 H PHE 64 HN PHE 64 -3.420 -10.156 0.757 515 HA PHE 64 HA PHE 64 -3.562 -10.515 -2.161 516 1HB PHE 64 HB2 PHE 64 -3.392 -8.047 -0.455 517 2HB PHE 64 HB3 PHE 64 -3.009 -8.012 -2.169 518 HD1 PHE 64 HD1 PHE 64 -4.703 -7.919 -3.790 519 HD2 PHE 64 HD2 PHE 64 -5.710 -8.713 0.268 520 HE1 PHE 64 HE1 PHE 64 -7.085 -7.622 -4.326 521 HE2 PHE 64 HE2 PHE 64 -8.094 -8.421 -0.264 522 HZ PHE 64 HZ PHE 64 -8.784 -7.874 -2.562 523 H TYR 65 HN TYR 65 -1.652 -9.509 -3.309 524 HA TYR 65 HA TYR 65 0.725 -10.663 -2.102 525 1HB TYR 65 HB2 TYR 65 0.320 -9.479 -4.857 526 2HB TYR 65 HB3 TYR 65 1.751 -10.350 -4.311 527 HD1 TYR 65 HD1 TYR 65 -1.630 -10.637 -5.574 528 HD2 TYR 65 HD2 TYR 65 1.592 -12.784 -3.813 529 HE1 TYR 65 HE1 TYR 65 -2.649 -12.752 -6.307 530 HE2 TYR 65 HE2 TYR 65 0.578 -14.907 -4.530 531 HH TYR 65 HH TYR 65 -1.520 -15.825 -5.188 532 H LEU 66 HN LEU 66 1.700 -9.381 -0.688 533 HA LEU 66 HA LEU 66 1.780 -6.494 -1.213 534 1HB LEU 66 HB2 LEU 66 2.242 -7.979 1.370 535 2HB LEU 66 HB3 LEU 66 2.150 -6.238 1.175 536 HG LEU 66 HG LEU 66 -0.114 -8.177 0.720 537 1HD1 LEU 66 HD11 LEU 66 0.392 -6.199 2.930 538 2HD1 LEU 66 HD12 LEU 66 -1.090 -7.127 2.710 539 3HD1 LEU 66 HD13 LEU 66 0.424 -7.956 3.070 540 1HD2 LEU 66 HD21 LEU 66 -0.076 -5.165 0.631 541 2HD2 LEU 66 HD22 LEU 66 -0.242 -6.239 -0.759 542 3HD2 LEU 66 HD23 LEU 66 -1.503 -6.190 0.474 543 H SER 67 HN SER 67 3.701 -5.334 -0.935 544 HA SER 67 HA SER 67 6.147 -6.921 -0.551 545 1HB SER 67 HB2 SER 67 5.916 -4.525 -2.389 546 2HB SER 67 HB3 SER 67 7.300 -5.596 -2.205 547 HG SER 67 HG SER 67 6.364 -6.467 -3.915 548 H ASP 68 HN ASP 68 6.909 -6.373 1.356 549 HA ASP 68 HA ASP 68 6.301 -3.772 2.507 550 1HB ASP 68 HB2 ASP 68 7.653 -6.212 3.680 551 2HB ASP 68 HB3 ASP 68 7.317 -4.734 4.570 552 H CYS 69 HN CYS 69 7.621 -2.204 1.801 553 HA CYS 69 HA CYS 69 10.501 -2.660 1.666 554 1HB CYS 69 HB2 CYS 69 8.836 -0.182 1.150 555 2HB CYS 69 HB3 CYS 69 10.573 -0.297 0.899 556 H ASN 70 HN ASN 70 11.754 -2.347 3.418 557 HA ASN 70 HA ASN 70 10.797 -0.520 5.505 558 1HB ASN 70 HB2 ASN 70 11.386 -2.213 7.241 559 2HB ASN 70 HB3 ASN 70 10.027 -2.686 6.231 560 1HD2 ASN 70 HD21 ASN 70 10.306 -4.352 4.706 561 2HD2 ASN 70 HD22 ASN 70 11.621 -5.466 4.819 562 H VAL 71 HN VAL 71 12.313 0.553 6.616 563 HA VAL 71 HA VAL 71 14.900 0.777 5.466 564 HB VAL 71 HB VAL 71 13.584 2.632 6.581 565 1HG1 VAL 71 HG11 VAL 71 14.590 1.322 9.101 566 2HG1 VAL 71 HG12 VAL 71 13.865 2.926 8.999 567 3HG1 VAL 71 HG13 VAL 71 12.907 1.501 8.605 568 1HG2 VAL 71 HG21 VAL 71 16.427 2.215 7.493 569 2HG2 VAL 71 HG22 VAL 71 15.917 2.903 5.951 570 3HG2 VAL 71 HG23 VAL 71 15.572 3.757 7.455 571 H THR 72 HN THR 72 16.940 0.323 6.445 572 HA THR 72 HA THR 72 16.771 -1.915 8.350 573 HB THR 72 HB THR 72 18.919 -2.703 7.232 574 HG1 THR 72 HG1 THR 72 18.001 -0.960 5.156 575 1HG2 THR 72 HG21 THR 72 16.750 -3.787 6.885 576 2HG2 THR 72 HG22 THR 72 17.710 -3.787 5.404 577 3HG2 THR 72 HG23 THR 72 16.384 -2.640 5.595 578 H SER 73 HN SER 73 19.855 -0.860 7.303 579 HA SER 73 HA SER 73 20.401 0.167 9.999 580 1HB SER 73 HB2 SER 73 22.828 -0.285 9.279 581 2HB SER 73 HB3 SER 73 21.798 -1.689 9.558 582 HG SER 73 HG SER 73 21.863 -2.177 7.499 583 H ARG 74 HN ARG 74 20.730 0.871 6.576 584 HA ARG 74 HA ARG 74 21.791 3.522 7.185 585 1HB ARG 74 HB2 ARG 74 21.466 1.968 4.634 586 2HB ARG 74 HB3 ARG 74 21.766 3.698 4.615 587 1HG ARG 74 HG2 ARG 74 23.839 3.354 5.856 588 2HG ARG 74 HG3 ARG 74 23.545 1.612 5.851 589 1HD ARG 74 HD2 ARG 74 23.604 1.603 3.409 590 2HD ARG 74 HD3 ARG 74 23.862 3.346 3.402 591 HE ARG 74 HE ARG 74 25.823 1.672 4.788 592 1HH1 ARG 74 HH12 ARG 74 24.988 3.666 2.022 593 2HH1 ARG 74 HH11 ARG 74 26.630 3.811 1.473 594 1HH2 ARG 74 HH22 ARG 74 27.970 1.865 4.074 595 2HH2 ARG 74 HH21 ARG 74 28.330 2.778 2.639 596 HA PRO 75 HA PRO 75 17.847 5.382 6.829 597 1HB PRO 75 HB2 PRO 75 18.602 7.913 6.134 598 2HB PRO 75 HB3 PRO 75 18.720 7.270 7.773 599 1HG PRO 75 HG2 PRO 75 20.840 7.716 5.760 600 2HG PRO 75 HG3 PRO 75 20.942 7.744 7.527 601 1HD PRO 75 HD2 PRO 75 21.784 5.664 5.869 602 2HD PRO 75 HD3 PRO 75 21.504 5.541 7.613 603 H CYS 76 HN CYS 76 16.378 5.314 5.284 604 HA CYS 76 HA CYS 76 15.364 5.274 3.259 605 1HB CYS 76 HB2 CYS 76 16.354 7.584 3.069 606 2HB CYS 76 HB3 CYS 76 17.706 6.869 2.200 607 H LYS 77 HN LYS 77 17.685 3.412 4.075 608 HA LYS 77 HA LYS 77 17.982 2.188 1.417 609 1HB LYS 77 HB2 LYS 77 20.117 2.670 2.594 610 2HB LYS 77 HB3 LYS 77 19.590 1.644 3.923 611 1HG LYS 77 HG2 LYS 77 21.123 0.454 2.478 612 2HG LYS 77 HG3 LYS 77 19.516 -0.274 2.417 613 1HD LYS 77 HD2 LYS 77 19.102 1.104 0.345 614 2HD LYS 77 HD3 LYS 77 20.819 1.507 0.367 615 1HE LYS 77 HE2 LYS 77 21.434 -0.777 0.074 616 2HE LYS 77 HE3 LYS 77 19.773 -1.315 0.326 617 1HZ LYS 77 HZ1 LYS 77 19.192 -0.003 -1.703 618 2HZ LYS 77 HZ2 LYS 77 20.162 -1.353 -1.989 619 3HZ LYS 77 HZ3 LYS 77 20.851 0.195 -1.991 620 H TYR 78 HN TYR 78 16.786 0.415 1.030 621 HA TYR 78 HA TYR 78 15.340 -0.675 3.367 622 1HB TYR 78 HB2 TYR 78 14.291 -0.276 0.561 623 2HB TYR 78 HB3 TYR 78 13.384 -0.918 1.925 624 HD1 TYR 78 HD1 TYR 78 12.541 0.533 3.649 625 HD2 TYR 78 HD2 TYR 78 14.843 2.089 0.431 626 HE1 TYR 78 HE1 TYR 78 11.836 2.805 4.250 627 HE2 TYR 78 HE2 TYR 78 14.138 4.367 1.022 628 HH TYR 78 HH TYR 78 12.346 5.016 3.951 629 H LYS 79 HN LYS 79 14.498 -2.796 3.187 630 HA LYS 79 HA LYS 79 15.765 -4.504 1.152 631 1HB LYS 79 HB2 LYS 79 14.697 -5.196 3.899 632 2HB LYS 79 HB3 LYS 79 15.222 -6.382 2.719 633 1HG LYS 79 HG2 LYS 79 16.943 -4.266 3.984 634 2HG LYS 79 HG3 LYS 79 16.929 -5.983 4.390 635 1HD LYS 79 HD2 LYS 79 17.640 -6.508 2.095 636 2HD LYS 79 HD3 LYS 79 17.703 -4.781 1.736 637 1HE LYS 79 HE2 LYS 79 19.371 -4.504 3.534 638 2HE LYS 79 HE3 LYS 79 19.347 -6.248 3.793 639 1HZ LYS 79 HZ1 LYS 79 21.203 -5.548 2.398 640 2HZ LYS 79 HZ2 LYS 79 20.121 -4.903 1.261 641 3HZ LYS 79 HZ3 LYS 79 20.148 -6.574 1.553 642 H LEU 80 HN LEU 80 14.363 -6.199 0.277 643 HA LEU 80 HA LEU 80 11.589 -5.255 0.120 644 1HB LEU 80 HB2 LEU 80 13.460 -6.251 -1.805 645 2HB LEU 80 HB3 LEU 80 12.062 -7.295 -1.767 646 HG LEU 80 HG LEU 80 11.860 -4.336 -2.092 647 1HD1 LEU 80 HD11 LEU 80 11.566 -4.762 -4.484 648 2HD1 LEU 80 HD12 LEU 80 13.166 -5.259 -3.933 649 3HD1 LEU 80 HD13 LEU 80 11.916 -6.470 -4.216 650 1HD2 LEU 80 HD21 LEU 80 9.927 -6.570 -2.653 651 2HD2 LEU 80 HD22 LEU 80 9.848 -5.458 -1.288 652 3HD2 LEU 80 HD23 LEU 80 9.628 -4.853 -2.930 653 H LYS 81 HN LYS 81 9.965 -6.416 0.842 654 HA LYS 81 HA LYS 81 10.453 -9.216 1.601 655 1HB LYS 81 HB2 LYS 81 10.488 -7.904 3.632 656 2HB LYS 81 HB3 LYS 81 9.012 -7.070 3.171 657 1HG LYS 81 HG2 LYS 81 7.788 -9.207 3.353 658 2HG LYS 81 HG3 LYS 81 9.275 -9.978 3.910 659 1HD LYS 81 HD2 LYS 81 9.350 -8.500 5.835 660 2HD LYS 81 HD3 LYS 81 7.918 -7.647 5.262 661 1HE LYS 81 HE2 LYS 81 7.376 -9.238 7.042 662 2HE LYS 81 HE3 LYS 81 6.585 -9.665 5.526 663 1HZ LYS 81 HZ1 LYS 81 9.139 -10.884 6.419 664 2HZ LYS 81 HZ2 LYS 81 8.124 -11.403 5.160 665 3HZ LYS 81 HZ3 LYS 81 7.619 -11.551 6.773 666 H LYS 82 HN LYS 82 9.341 -10.234 0.035 667 HA LYS 82 HA LYS 82 6.756 -9.254 -0.839 668 1HB LYS 82 HB2 LYS 82 8.066 -11.870 -1.583 669 2HB LYS 82 HB3 LYS 82 6.860 -10.969 -2.494 670 1HG LYS 82 HG2 LYS 82 8.470 -9.228 -2.969 671 2HG LYS 82 HG3 LYS 82 9.677 -10.043 -1.973 672 1HD LYS 82 HD2 LYS 82 9.397 -12.035 -3.520 673 2HD LYS 82 HD3 LYS 82 8.500 -10.949 -4.583 674 1HE LYS 82 HE2 LYS 82 10.421 -9.491 -4.775 675 2HE LYS 82 HE3 LYS 82 11.317 -10.476 -3.619 676 1HZ LYS 82 HZ1 LYS 82 10.557 -11.125 -6.399 677 2HZ LYS 82 HZ2 LYS 82 10.913 -12.357 -5.287 678 3HZ LYS 82 HZ3 LYS 82 12.089 -11.193 -5.665 679 H SER 83 HN SER 83 4.931 -9.771 0.193 680 HA SER 83 HA SER 83 4.799 -12.308 1.678 681 1HB SER 83 HB2 SER 83 3.783 -9.726 2.863 682 2HB SER 83 HB3 SER 83 4.099 -11.257 3.679 683 HG SER 83 HG SER 83 5.738 -9.167 3.313 684 H THR 84 HN THR 84 2.856 -13.314 1.446 685 HA THR 84 HA THR 84 0.686 -11.812 0.167 686 HB THR 84 HB THR 84 0.518 -14.737 0.830 687 HG1 THR 84 HG1 THR 84 2.380 -13.592 -0.792 688 1HG2 THR 84 HG21 THR 84 -0.532 -13.037 -1.437 689 2HG2 THR 84 HG22 THR 84 -1.463 -13.634 -0.064 690 3HG2 THR 84 HG23 THR 84 -0.812 -14.768 -1.248 691 H ASN 85 HN ASN 85 -0.693 -10.832 1.515 692 HA ASN 85 HA ASN 85 -1.743 -12.205 3.821 693 1HB ASN 85 HB2 ASN 85 0.537 -10.908 4.384 694 2HB ASN 85 HB3 ASN 85 -0.596 -9.577 4.497 695 1HD2 ASN 85 HD21 ASN 85 1.004 -10.934 6.543 696 2HD2 ASN 85 HD22 ASN 85 -0.128 -11.438 7.755 697 H LYS 86 HN LYS 86 -3.539 -11.092 4.772 698 HA LYS 86 HA LYS 86 -5.001 -9.416 2.974 699 1HB LYS 86 HB2 LYS 86 -5.622 -9.839 5.895 700 2HB LYS 86 HB3 LYS 86 -6.743 -9.538 4.574 701 1HG LYS 86 HG2 LYS 86 -6.142 -11.763 3.639 702 2HG LYS 86 HG3 LYS 86 -5.181 -12.057 5.090 703 1HD LYS 86 HD2 LYS 86 -7.266 -11.638 6.421 704 2HD LYS 86 HD3 LYS 86 -8.143 -11.616 4.902 705 1HE LYS 86 HE2 LYS 86 -7.462 -13.877 4.435 706 2HE LYS 86 HE3 LYS 86 -6.468 -13.915 5.886 707 1HZ LYS 86 HZ1 LYS 86 -8.480 -13.653 7.214 708 2HZ LYS 86 HZ2 LYS 86 -8.561 -15.041 6.244 709 3HZ LYS 86 HZ3 LYS 86 -9.430 -13.654 5.808 710 H PHE 87 HN PHE 87 -5.981 -7.284 3.984 711 HA PHE 87 HA PHE 87 -4.315 -5.990 5.925 712 1HB PHE 87 HB2 PHE 87 -3.678 -4.072 4.463 713 2HB PHE 87 HB3 PHE 87 -2.879 -5.585 4.058 714 HD1 PHE 87 HD1 PHE 87 -3.079 -6.525 1.914 715 HD2 PHE 87 HD2 PHE 87 -5.573 -3.261 3.025 716 HE1 PHE 87 HE1 PHE 87 -3.776 -6.258 -0.429 717 HE2 PHE 87 HE2 PHE 87 -6.281 -3.004 0.682 718 HZ PHE 87 HZ PHE 87 -5.378 -4.507 -1.052 719 H CYS 88 HN CYS 88 -5.227 -4.158 6.828 720 HA CYS 88 HA CYS 88 -8.050 -3.784 6.128 721 1HB CYS 88 HB2 CYS 88 -7.106 -4.179 8.583 722 2HB CYS 88 HB3 CYS 88 -6.749 -2.460 8.481 723 H VAL 89 HN VAL 89 -8.544 -2.124 4.840 724 HA VAL 89 HA VAL 89 -6.728 0.188 4.779 725 HB VAL 89 HB VAL 89 -7.986 0.788 2.647 726 1HG1 VAL 89 HG11 VAL 89 -5.732 -0.084 2.601 727 2HG1 VAL 89 HG12 VAL 89 -6.338 -1.735 2.727 728 3HG1 VAL 89 HG13 VAL 89 -6.668 -0.783 1.278 729 1HG2 VAL 89 HG21 VAL 89 -9.120 -1.031 1.469 730 2HG2 VAL 89 HG22 VAL 89 -8.877 -2.090 2.859 731 3HG2 VAL 89 HG23 VAL 89 -9.924 -0.679 2.999 732 H THR 90 HN THR 90 -7.514 2.259 5.076 733 HA THR 90 HA THR 90 -10.039 2.417 6.488 734 HB THR 90 HB THR 90 -8.174 4.689 5.773 735 HG1 THR 90 HG1 THR 90 -7.741 2.612 7.395 736 1HG2 THR 90 HG21 THR 90 -9.200 5.782 7.718 737 2HG2 THR 90 HG22 THR 90 -10.244 4.381 7.956 738 3HG2 THR 90 HG23 THR 90 -10.414 5.370 6.506 739 H CYS 91 HN CYS 91 -11.802 2.399 5.229 740 HA CYS 91 HA CYS 91 -11.704 3.541 2.566 741 1HB CYS 91 HB2 CYS 91 -13.933 2.139 4.042 742 2HB CYS 91 HB3 CYS 91 -13.919 2.536 2.324 743 H GLU 92 HN GLU 92 -12.449 5.452 1.993 744 HA GLU 92 HA GLU 92 -14.511 6.754 3.604 745 1HB GLU 92 HB2 GLU 92 -12.185 7.521 4.324 746 2HB GLU 92 HB3 GLU 92 -12.030 8.226 2.726 747 1HG GLU 92 HG2 GLU 92 -13.925 9.668 3.138 748 2HG GLU 92 HG3 GLU 92 -14.163 8.930 4.722 749 H ASN 93 HN ASN 93 -16.058 7.426 2.303 750 HA ASN 93 HA ASN 93 -17.247 7.962 0.453 751 1HB ASN 93 HB2 ASN 93 -14.652 9.304 -0.327 752 2HB ASN 93 HB3 ASN 93 -16.163 9.504 -1.206 753 1HD2 ASN 93 HD21 ASN 93 -14.294 10.476 1.468 754 2HD2 ASN 93 HD22 ASN 93 -15.431 11.595 2.140 755 H GLN 94 HN GLN 94 -16.123 5.425 0.519 756 HA GLN 94 HA GLN 94 -16.035 3.571 -0.763 757 1HB GLN 94 HB2 GLN 94 -16.858 5.436 -2.987 758 2HB GLN 94 HB3 GLN 94 -16.806 3.683 -3.111 759 1HG GLN 94 HG2 GLN 94 -18.426 3.620 -1.181 760 2HG GLN 94 HG3 GLN 94 -18.604 5.361 -1.386 761 1HE2 GLN 94 HE21 GLN 94 -18.092 3.199 -4.056 762 2HE2 GLN 94 HE22 GLN 94 -19.676 3.336 -4.732 763 H ALA 95 HN ALA 95 -13.712 5.304 -0.400 764 HA ALA 95 HA ALA 95 -12.027 3.909 -2.321 765 1HB ALA 95 HB1 ALA 95 -10.738 5.926 -2.848 766 2HB ALA 95 HB2 ALA 95 -12.420 6.087 -3.358 767 3HB ALA 95 HB3 ALA 95 -11.862 6.895 -1.892 768 HA PRO 96 HA PRO 96 -9.567 3.339 1.393 769 1HB PRO 96 HB2 PRO 96 -7.437 2.774 -0.573 770 2HB PRO 96 HB3 PRO 96 -8.045 1.770 0.745 771 1HG PRO 96 HG2 PRO 96 -8.591 1.233 -1.837 772 2HG PRO 96 HG3 PRO 96 -9.738 0.886 -0.536 773 1HD PRO 96 HD2 PRO 96 -9.764 3.079 -2.543 774 2HD PRO 96 HD3 PRO 96 -11.117 2.215 -1.793 775 H VAL 97 HN VAL 97 -9.029 5.249 2.329 776 HA VAL 97 HA VAL 97 -7.396 7.131 0.780 777 HB VAL 97 HB VAL 97 -8.053 8.842 2.408 778 1HG1 VAL 97 HG11 VAL 97 -9.427 8.549 0.436 779 2HG1 VAL 97 HG12 VAL 97 -10.371 7.302 1.250 780 3HG1 VAL 97 HG13 VAL 97 -10.437 8.968 1.820 781 1HG2 VAL 97 HG21 VAL 97 -8.300 7.406 4.362 782 2HG2 VAL 97 HG22 VAL 97 -9.750 8.371 4.091 783 3HG2 VAL 97 HG23 VAL 97 -9.729 6.666 3.644 784 H HIS 98 HN HIS 98 -7.335 5.129 3.611 785 HA HIS 98 HA HIS 98 -4.557 5.894 4.042 786 1HB HIS 98 HB2 HIS 98 -6.736 6.154 6.093 787 2HB HIS 98 HB3 HIS 98 -5.078 5.833 6.590 788 HD1 HIS 98 HD1 HIS 98 -3.295 7.689 5.954 789 HD2 HIS 98 HD2 HIS 98 -7.276 8.773 5.439 790 HE1 HIS 98 HE1 HIS 98 -3.292 10.196 5.715 791 HE2 HIS 98 HE2 HIS 98 -5.723 10.830 5.593 792 H PHE 99 HN PHE 99 -3.393 4.360 5.427 793 HA PHE 99 HA PHE 99 -4.504 1.663 5.038 794 1HB PHE 99 HB2 PHE 99 -2.385 2.286 3.812 795 2HB PHE 99 HB3 PHE 99 -1.594 2.418 5.378 796 HD1 PHE 99 HD1 PHE 99 -0.566 0.574 6.290 797 HD2 PHE 99 HD2 PHE 99 -3.545 0.018 3.304 798 HE1 PHE 99 HE1 PHE 99 -0.074 -1.833 6.255 799 HE2 PHE 99 HE2 PHE 99 -3.060 -2.393 3.265 800 HZ PHE 99 HZ PHE 99 -1.318 -3.320 4.705 801 H VAL 100 HN VAL 100 -4.531 0.208 6.718 802 HA VAL 100 HA VAL 100 -4.082 1.368 9.380 803 HB VAL 100 HB VAL 100 -5.743 -1.014 8.542 804 1HG1 VAL 100 HG11 VAL 100 -4.942 -1.406 10.753 805 2HG1 VAL 100 HG12 VAL 100 -5.335 0.242 11.246 806 3HG1 VAL 100 HG13 VAL 100 -6.628 -0.899 10.869 807 1HG2 VAL 100 HG21 VAL 100 -7.664 0.388 9.109 808 2HG2 VAL 100 HG22 VAL 100 -6.579 1.730 9.474 809 3HG2 VAL 100 HG23 VAL 100 -6.698 1.116 7.826 810 H GLY 101 HN GLY 101 -4.032 -1.968 8.122 811 1HA GLY 101 HA1 GLY 101 -1.254 -2.362 8.543 812 2HA GLY 101 HA2 GLY 101 -2.171 -3.005 9.899 813 H VAL 102 HN VAL 102 -0.742 -4.808 8.521 814 HA VAL 102 HA VAL 102 -2.566 -5.960 6.538 815 HB VAL 102 HB VAL 102 -0.852 -7.120 5.593 816 1HG1 VAL 102 HG11 VAL 102 1.132 -5.689 5.429 817 2HG1 VAL 102 HG12 VAL 102 -0.379 -4.791 5.292 818 3HG1 VAL 102 HG13 VAL 102 0.539 -4.748 6.797 819 1HG2 VAL 102 HG21 VAL 102 -0.192 -8.358 7.588 820 2HG2 VAL 102 HG22 VAL 102 1.205 -7.830 6.650 821 3HG2 VAL 102 HG23 VAL 102 0.762 -6.974 8.128 822 H GLY 103 HN GLY 103 -3.050 -8.219 6.601 823 1HA GLY 103 HA1 GLY 103 -3.450 -10.245 7.715 824 2HA GLY 103 HA2 GLY 103 -2.801 -9.545 9.192 825 H SER 104 HN SER 104 -4.143 -7.614 9.973 826 HA SER 104 HA SER 104 -6.941 -7.571 9.393 827 1HB SER 104 HB2 SER 104 -6.643 -9.638 10.893 828 2HB SER 104 HB3 SER 104 -6.201 -8.505 12.168 829 HG SER 104 HG SER 104 -8.239 -8.185 12.481 830 H CYS 105 HN CYS 105 -8.010 -6.084 11.137 831 HA CYS 105 HA CYS 105 -5.991 -4.144 11.984 832 1HB CYS 105 HB2 CYS 105 -7.920 -2.444 11.770 833 2HB CYS 105 HB3 CYS 105 -7.059 -2.983 10.336 Start of MODEL 18 1 1H MET 1 H1 MET 1 -7.993 13.065 6.570 2 2H MET 1 H2 MET 1 -8.883 13.540 5.208 3 3H MET 1 H3 MET 1 -8.392 14.698 6.342 4 HA MET 1 HA MET 1 -7.002 14.840 4.416 5 1HB MET 1 HB2 MET 1 -5.609 13.564 6.780 6 2HB MET 1 HB3 MET 1 -4.784 14.404 5.474 7 1HG MET 1 HG2 MET 1 -5.963 16.466 6.063 8 2HG MET 1 HG3 MET 1 -6.770 15.621 7.382 9 1HE MET 1 HE1 MET 1 -2.238 16.500 7.218 10 2HE MET 1 HE2 MET 1 -3.017 15.342 6.140 11 3HE MET 1 HE3 MET 1 -3.399 17.061 6.013 12 H GLN 2 HN GLN 2 -5.364 13.843 3.082 13 HA GLN 2 HA GLN 2 -4.596 12.268 1.662 14 1HB GLN 2 HB2 GLN 2 -5.427 10.263 3.766 15 2HB GLN 2 HB3 GLN 2 -4.430 9.913 2.361 16 1HG GLN 2 HG2 GLN 2 -2.800 11.620 3.236 17 2HG GLN 2 HG3 GLN 2 -3.749 11.645 4.720 18 1HE2 GLN 2 HE21 GLN 2 -0.997 10.881 4.325 19 2HE2 GLN 2 HE22 GLN 2 -0.857 9.247 4.876 20 H ASP 3 HN ASP 3 -5.319 10.611 0.131 21 HA ASP 3 HA ASP 3 -8.153 10.080 0.010 22 1HB ASP 3 HB2 ASP 3 -8.624 11.333 -1.978 23 2HB ASP 3 HB3 ASP 3 -7.903 12.448 -0.821 24 H TRP 4 HN TRP 4 -8.584 9.258 -2.393 25 HA TRP 4 HA TRP 4 -7.260 6.803 -2.534 26 1HB TRP 4 HB2 TRP 4 -9.538 7.104 -3.315 27 2HB TRP 4 HB3 TRP 4 -8.995 8.211 -4.567 28 HD1 TRP 4 HD1 TRP 4 -9.332 7.030 -6.791 29 HE1 TRP 4 HE1 TRP 4 -8.805 4.702 -7.754 30 HE3 TRP 4 HE3 TRP 4 -7.524 4.788 -2.563 31 HZ2 TRP 4 HZ2 TRP 4 -7.760 2.255 -6.845 32 HZ3 TRP 4 HZ3 TRP 4 -6.799 2.436 -2.701 33 HH2 TRP 4 HH2 TRP 4 -6.901 1.207 -4.800 34 H LEU 5 HN LEU 5 -6.773 9.782 -4.414 35 HA LEU 5 HA LEU 5 -5.028 8.595 -6.314 36 1HB LEU 5 HB2 LEU 5 -5.480 11.451 -5.473 37 2HB LEU 5 HB3 LEU 5 -4.315 11.010 -6.705 38 HG LEU 5 HG LEU 5 -6.332 11.749 -7.763 39 1HD1 LEU 5 HD11 LEU 5 -5.155 9.956 -8.876 40 2HD1 LEU 5 HD12 LEU 5 -6.064 8.759 -7.954 41 3HD1 LEU 5 HD13 LEU 5 -6.892 9.790 -9.120 42 1HD2 LEU 5 HD21 LEU 5 -7.770 9.623 -6.192 43 2HD2 LEU 5 HD22 LEU 5 -7.926 11.367 -5.981 44 3HD2 LEU 5 HD23 LEU 5 -8.477 10.607 -7.474 45 H THR 6 HN THR 6 -4.531 10.258 -3.250 46 HA THR 6 HA THR 6 -1.685 10.213 -3.358 47 HB THR 6 HB THR 6 -3.481 10.373 -0.921 48 HG1 THR 6 HG1 THR 6 -4.027 12.181 -1.965 49 1HG2 THR 6 HG21 THR 6 -1.572 11.506 0.123 50 2HG2 THR 6 HG22 THR 6 -0.615 11.244 -1.334 51 3HG2 THR 6 HG23 THR 6 -1.147 9.866 -0.371 52 H PHE 7 HN PHE 7 -4.154 8.097 -1.997 53 HA PHE 7 HA PHE 7 -2.503 6.277 -0.655 54 1HB PHE 7 HB2 PHE 7 -4.996 6.431 -0.464 55 2HB PHE 7 HB3 PHE 7 -5.125 5.698 -2.058 56 HD1 PHE 7 HD1 PHE 7 -4.634 5.131 1.464 57 HD2 PHE 7 HD2 PHE 7 -4.377 3.337 -2.387 58 HE1 PHE 7 HE1 PHE 7 -4.602 2.899 2.507 59 HE2 PHE 7 HE2 PHE 7 -4.350 1.105 -1.353 60 HZ PHE 7 HZ PHE 7 -4.462 0.884 1.098 61 H GLN 8 HN GLN 8 -3.690 6.336 -3.977 62 HA GLN 8 HA GLN 8 -2.804 3.885 -4.880 63 1HB GLN 8 HB2 GLN 8 -3.411 6.499 -6.120 64 2HB GLN 8 HB3 GLN 8 -2.488 5.356 -7.080 65 1HG GLN 8 HG2 GLN 8 -4.255 3.689 -6.791 66 2HG GLN 8 HG3 GLN 8 -5.174 4.843 -5.825 67 1HE2 GLN 8 HE21 GLN 8 -6.153 6.578 -6.827 68 2HE2 GLN 8 HE22 GLN 8 -6.407 6.636 -8.539 69 H LYS 9 HN LYS 9 -1.104 6.995 -5.257 70 HA LYS 9 HA LYS 9 1.123 6.030 -6.580 71 1HB LYS 9 HB2 LYS 9 0.954 8.339 -4.637 72 2HB LYS 9 HB3 LYS 9 2.246 8.083 -5.803 73 1HG LYS 9 HG2 LYS 9 0.799 8.452 -7.633 74 2HG LYS 9 HG3 LYS 9 -0.632 8.377 -6.605 75 1HD LYS 9 HD2 LYS 9 0.037 10.418 -5.491 76 2HD LYS 9 HD3 LYS 9 1.518 10.485 -6.448 77 1HE LYS 9 HE2 LYS 9 -1.299 10.653 -7.518 78 2HE LYS 9 HE3 LYS 9 -0.180 12.001 -7.334 79 1HZ LYS 9 HZ1 LYS 9 -0.182 11.250 -9.601 80 2HZ LYS 9 HZ2 LYS 9 0.163 9.660 -9.133 81 3HZ LYS 9 HZ3 LYS 9 1.320 10.880 -8.906 82 H LYS 10 HN LYS 10 0.376 5.969 -3.190 83 HA LYS 10 HA LYS 10 3.130 5.319 -2.464 84 1HB LYS 10 HB2 LYS 10 0.667 5.880 -0.825 85 2HB LYS 10 HB3 LYS 10 2.184 5.358 -0.110 86 1HG LYS 10 HG2 LYS 10 3.287 7.347 -0.883 87 2HG LYS 10 HG3 LYS 10 1.845 7.844 -1.774 88 1HD LYS 10 HD2 LYS 10 0.602 8.008 0.325 89 2HD LYS 10 HD3 LYS 10 2.032 7.497 1.221 90 1HE LYS 10 HE2 LYS 10 1.981 9.947 -0.525 91 2HE LYS 10 HE3 LYS 10 1.541 9.983 1.180 92 1HZ LYS 10 HZ1 LYS 10 3.787 9.030 1.639 93 2HZ LYS 10 HZ2 LYS 10 3.794 10.605 1.018 94 3HZ LYS 10 HZ3 LYS 10 4.180 9.295 0.011 95 H HIS 11 HN HIS 11 0.223 3.564 -3.127 96 HA HIS 11 HA HIS 11 1.399 1.261 -1.720 97 1HB HIS 11 HB2 HIS 11 -1.465 2.173 -1.511 98 2HB HIS 11 HB3 HIS 11 -0.906 0.585 -0.993 99 HD1 HIS 11 HD1 HIS 11 0.941 0.613 0.977 100 HD2 HIS 11 HD2 HIS 11 -1.119 4.171 0.318 101 HE1 HIS 11 HE1 HIS 11 1.327 2.014 3.029 102 HE2 HIS 11 HE2 HIS 11 0.261 4.238 2.513 103 H ILE 12 HN ILE 12 0.106 2.358 -4.626 104 HA ILE 12 HA ILE 12 -0.783 -0.338 -5.375 105 HB ILE 12 HB ILE 12 -1.113 2.287 -6.844 106 1HG1 ILE 12 HG12 ILE 12 -2.506 2.120 -4.846 107 2HG1 ILE 12 HG13 ILE 12 -3.493 2.031 -6.297 108 1HG2 ILE 12 HG21 ILE 12 -2.126 -0.465 -7.535 109 2HG2 ILE 12 HG22 ILE 12 -2.635 1.028 -8.331 110 3HG2 ILE 12 HG23 ILE 12 -0.955 0.492 -8.447 111 1HD1 ILE 12 HD11 ILE 12 -2.660 -0.287 -4.568 112 2HD1 ILE 12 HD12 ILE 12 -4.259 0.456 -4.632 113 3HD1 ILE 12 HD13 ILE 12 -3.627 -0.399 -6.038 114 H THR 13 HN THR 13 0.783 -1.596 -6.102 115 HA THR 13 HA THR 13 2.707 -0.447 -8.012 116 HB THR 13 HB THR 13 3.835 -1.013 -5.878 117 HG1 THR 13 HG1 THR 13 5.146 -2.888 -7.111 118 1HG2 THR 13 HG21 THR 13 2.921 -3.825 -6.480 119 2HG2 THR 13 HG22 THR 13 2.450 -2.835 -5.095 120 3HG2 THR 13 HG23 THR 13 4.118 -3.390 -5.257 121 H ASN 14 HN ASN 14 3.344 -1.807 -9.747 122 HA ASN 14 HA ASN 14 1.347 -3.898 -10.298 123 1HB ASN 14 HB2 ASN 14 1.809 -3.455 -12.709 124 2HB ASN 14 HB3 ASN 14 1.124 -2.077 -11.858 125 1HD2 ASN 14 HD21 ASN 14 2.311 -0.229 -11.632 126 2HD2 ASN 14 HD22 ASN 14 3.835 0.024 -12.410 127 H THR 15 HN THR 15 4.193 -3.858 -9.066 128 HA THR 15 HA THR 15 4.963 -6.334 -10.411 129 HB THR 15 HB THR 15 6.400 -4.554 -11.362 130 HG1 THR 15 HG1 THR 15 8.469 -5.626 -10.516 131 1HG2 THR 15 HG21 THR 15 7.383 -4.213 -8.523 132 2HG2 THR 15 HG22 THR 15 6.461 -3.029 -9.450 133 3HG2 THR 15 HG23 THR 15 8.093 -3.468 -9.956 134 H ARG 16 HN ARG 16 5.946 -7.860 -9.061 135 HA ARG 16 HA ARG 16 5.184 -7.783 -6.350 136 1HB ARG 16 HB2 ARG 16 7.032 -9.605 -7.875 137 2HB ARG 16 HB3 ARG 16 6.695 -9.829 -6.163 138 1HG ARG 16 HG2 ARG 16 4.602 -9.776 -8.325 139 2HG ARG 16 HG3 ARG 16 5.298 -11.240 -7.623 140 1HD ARG 16 HD2 ARG 16 3.970 -9.115 -5.964 141 2HD ARG 16 HD3 ARG 16 3.072 -10.457 -6.671 142 HE ARG 16 HE ARG 16 4.766 -11.883 -5.385 143 1HH1 ARG 16 HH12 ARG 16 3.684 -8.744 -4.287 144 2HH1 ARG 16 HH11 ARG 16 3.754 -9.157 -2.604 145 1HH2 ARG 16 HH22 ARG 16 4.821 -12.457 -3.159 146 2HH2 ARG 16 HH21 ARG 16 4.347 -11.283 -1.971 147 H ASP 17 HN ASP 17 8.508 -7.736 -7.714 148 HA ASP 17 HA ASP 17 9.428 -6.613 -5.215 149 1HB ASP 17 HB2 ASP 17 11.676 -6.655 -6.359 150 2HB ASP 17 HB3 ASP 17 10.928 -8.216 -6.090 151 H VAL 18 HN VAL 18 8.331 -4.670 -5.227 152 HA VAL 18 HA VAL 18 8.654 -2.721 -7.259 153 HB VAL 18 HB VAL 18 6.814 -2.325 -5.846 154 1HG1 VAL 18 HG11 VAL 18 7.057 -1.986 -3.368 155 2HG1 VAL 18 HG12 VAL 18 7.302 -3.643 -3.930 156 3HG1 VAL 18 HG13 VAL 18 8.691 -2.637 -3.515 157 1HG2 VAL 18 HG21 VAL 18 7.324 -0.149 -4.735 158 2HG2 VAL 18 HG22 VAL 18 9.030 -0.432 -5.090 159 3HG2 VAL 18 HG23 VAL 18 7.869 -0.263 -6.409 160 H ASP 19 HN ASP 19 10.325 -1.372 -7.651 161 HA ASP 19 HA ASP 19 12.745 -1.863 -6.202 162 1HB ASP 19 HB2 ASP 19 12.718 -1.600 -8.676 163 2HB ASP 19 HB3 ASP 19 12.310 0.100 -8.455 164 H CYS 20 HN CYS 20 11.691 -1.071 -4.252 165 HA CYS 20 HA CYS 20 11.091 1.542 -3.660 166 1HB CYS 20 HB2 CYS 20 12.196 -0.697 -2.000 167 2HB CYS 20 HB3 CYS 20 11.790 0.871 -1.297 168 H ASP 21 HN ASP 21 14.260 0.079 -3.938 169 HA ASP 21 HA ASP 21 15.954 1.789 -2.699 170 1HB ASP 21 HB2 ASP 21 16.750 -0.094 -4.017 171 2HB ASP 21 HB3 ASP 21 16.252 0.704 -5.506 172 H ASN 22 HN ASN 22 14.552 2.357 -5.915 173 HA ASN 22 HA ASN 22 15.503 5.119 -5.835 174 1HB ASN 22 HB2 ASN 22 15.757 3.661 -7.889 175 2HB ASN 22 HB3 ASN 22 14.015 3.747 -8.073 176 1HD2 ASN 22 HD21 ASN 22 14.258 4.762 -10.082 177 2HD2 ASN 22 HD22 ASN 22 14.705 6.436 -10.197 178 H ILE 23 HN ILE 23 12.537 3.250 -6.061 179 HA ILE 23 HA ILE 23 10.754 5.353 -6.498 180 HB ILE 23 HB ILE 23 10.304 2.670 -5.204 181 1HG1 ILE 23 HG12 ILE 23 9.715 3.775 -7.963 182 2HG1 ILE 23 HG13 ILE 23 10.999 2.641 -7.558 183 1HG2 ILE 23 HG21 ILE 23 7.912 3.024 -5.506 184 2HG2 ILE 23 HG22 ILE 23 8.584 4.249 -4.429 185 3HG2 ILE 23 HG23 ILE 23 8.216 4.655 -6.106 186 1HD1 ILE 23 HD11 ILE 23 9.346 0.963 -6.965 187 2HD1 ILE 23 HD12 ILE 23 8.048 2.104 -7.318 188 3HD1 ILE 23 HD13 ILE 23 9.102 1.539 -8.615 189 H LEU 24 HN LEU 24 11.731 3.909 -3.355 190 HA LEU 24 HA LEU 24 10.039 5.723 -1.893 191 1HB LEU 24 HB2 LEU 24 12.290 3.975 -0.903 192 2HB LEU 24 HB3 LEU 24 11.181 4.861 0.118 193 HG LEU 24 HG LEU 24 10.518 2.514 -1.659 194 1HD1 LEU 24 HD11 LEU 24 10.457 2.886 1.332 195 2HD1 LEU 24 HD12 LEU 24 9.940 1.443 0.458 196 3HD1 LEU 24 HD13 LEU 24 11.635 1.936 0.423 197 1HD2 LEU 24 HD21 LEU 24 8.264 2.688 -0.659 198 2HD2 LEU 24 HD22 LEU 24 8.718 4.257 0.008 199 3HD2 LEU 24 HD23 LEU 24 8.658 4.027 -1.740 200 H SER 25 HN SER 25 12.970 6.056 -3.434 201 HA SER 25 HA SER 25 14.224 7.836 -1.541 202 1HB SER 25 HB2 SER 25 15.509 6.323 -3.071 203 2HB SER 25 HB3 SER 25 14.972 7.309 -4.428 204 HG SER 25 HG SER 25 16.125 8.712 -2.342 205 H THR 26 HN THR 26 11.898 8.086 -4.019 206 HA THR 26 HA THR 26 12.357 10.799 -4.755 207 HB THR 26 HB THR 26 10.083 10.756 -5.682 208 HG1 THR 26 HG1 THR 26 9.843 8.068 -4.791 209 1HG2 THR 26 HG21 THR 26 11.901 9.813 -7.005 210 2HG2 THR 26 HG22 THR 26 10.394 8.945 -7.297 211 3HG2 THR 26 HG23 THR 26 11.635 8.236 -6.265 212 H ASN 27 HN ASN 27 10.701 12.527 -4.285 213 HA ASN 27 HA ASN 27 10.518 12.834 -1.445 214 1HB ASN 27 HB2 ASN 27 10.925 14.696 -3.112 215 2HB ASN 27 HB3 ASN 27 9.217 14.586 -3.534 216 1HD2 ASN 27 HD21 ASN 27 8.723 16.626 -2.831 217 2HD2 ASN 27 HD22 ASN 27 8.692 17.045 -1.147 218 H LEU 28 HN LEU 28 8.630 11.164 -3.576 219 HA LEU 28 HA LEU 28 6.032 11.662 -2.522 220 1HB LEU 28 HB2 LEU 28 6.341 10.685 -4.728 221 2HB LEU 28 HB3 LEU 28 7.173 9.309 -4.034 222 HG LEU 28 HG LEU 28 5.085 8.615 -2.918 223 1HD1 LEU 28 HD11 LEU 28 4.055 10.822 -2.702 224 2HD1 LEU 28 HD12 LEU 28 3.835 10.891 -4.451 225 3HD1 LEU 28 HD13 LEU 28 2.975 9.674 -3.501 226 1HD2 LEU 28 HD21 LEU 28 5.656 7.705 -5.106 227 2HD2 LEU 28 HD22 LEU 28 3.910 7.885 -4.932 228 3HD2 LEU 28 HD23 LEU 28 4.824 9.047 -5.893 229 H PHE 29 HN PHE 29 8.771 9.929 -1.454 230 HA PHE 29 HA PHE 29 7.212 8.851 0.794 231 1HB PHE 29 HB2 PHE 29 9.469 7.413 -0.623 232 2HB PHE 29 HB3 PHE 29 8.637 6.843 0.818 233 HD1 PHE 29 HD1 PHE 29 8.557 7.103 -2.780 234 HD2 PHE 29 HD2 PHE 29 6.265 6.145 0.673 235 HE1 PHE 29 HE1 PHE 29 6.920 5.942 -4.195 236 HE2 PHE 29 HE2 PHE 29 4.621 4.984 -0.740 237 HZ PHE 29 HZ PHE 29 4.950 4.880 -3.178 238 H HIS 30 HN HIS 30 10.413 9.651 -0.446 239 HA HIS 30 HA HIS 30 12.306 10.451 0.478 240 1HB HIS 30 HB2 HIS 30 10.539 12.291 1.010 241 2HB HIS 30 HB3 HIS 30 10.707 11.730 2.673 242 HD1 HIS 30 HD1 HIS 30 12.461 12.925 3.964 243 HD2 HIS 30 HD2 HIS 30 13.231 12.952 -0.122 244 HE1 HIS 30 HE1 HIS 30 14.564 14.278 3.676 245 HE2 HIS 30 HE2 HIS 30 15.134 14.070 1.228 246 H CYS 31 HN CYS 31 12.064 7.966 1.069 247 HA CYS 31 HA CYS 31 12.417 6.248 2.496 248 1HB CYS 31 HB2 CYS 31 14.519 6.627 3.903 249 2HB CYS 31 HB3 CYS 31 14.646 6.742 2.157 250 H LYS 32 HN LYS 32 10.220 7.045 3.572 251 HA LYS 32 HA LYS 32 10.509 7.471 6.380 252 1HB LYS 32 HB2 LYS 32 8.180 7.058 6.555 253 2HB LYS 32 HB3 LYS 32 8.401 7.929 5.051 254 1HG LYS 32 HG2 LYS 32 8.171 4.937 5.143 255 2HG LYS 32 HG3 LYS 32 6.766 5.986 5.073 256 1HD LYS 32 HD2 LYS 32 7.009 5.656 2.851 257 2HD LYS 32 HD3 LYS 32 8.147 6.993 3.014 258 1HE LYS 32 HE2 LYS 32 8.965 5.007 1.700 259 2HE LYS 32 HE3 LYS 32 10.004 5.529 3.024 260 1HZ LYS 32 HZ1 LYS 32 9.637 3.079 2.843 261 2HZ LYS 32 HZ2 LYS 32 8.025 3.339 3.295 262 3HZ LYS 32 HZ3 LYS 32 9.284 3.745 4.357 263 H ASP 33 HN ASP 33 9.812 5.752 7.974 264 HA ASP 33 HA ASP 33 11.719 3.811 8.125 265 1HB ASP 33 HB2 ASP 33 8.962 3.890 9.326 266 2HB ASP 33 HB3 ASP 33 10.066 2.562 9.663 267 H LYS 34 HN LYS 34 8.350 3.147 7.101 268 HA LYS 34 HA LYS 34 9.363 1.161 5.256 269 1HB LYS 34 HB2 LYS 34 8.164 -0.728 6.111 270 2HB LYS 34 HB3 LYS 34 9.182 -0.094 7.390 271 1HG LYS 34 HG2 LYS 34 6.259 0.555 7.168 272 2HG LYS 34 HG3 LYS 34 6.871 -0.844 8.048 273 1HD LYS 34 HD2 LYS 34 8.295 0.770 9.371 274 2HD LYS 34 HD3 LYS 34 7.362 2.069 8.621 275 1HE LYS 34 HE2 LYS 34 6.251 -0.185 10.288 276 2HE LYS 34 HE3 LYS 34 6.471 1.482 10.818 277 1HZ LYS 34 HZ1 LYS 34 4.825 2.225 9.309 278 2HZ LYS 34 HZ2 LYS 34 4.168 0.882 10.113 279 3HZ LYS 34 HZ3 LYS 34 4.742 0.723 8.523 280 H ASN 35 HN ASN 35 7.588 0.151 3.978 281 HA ASN 35 HA ASN 35 5.047 1.530 3.937 282 1HB ASN 35 HB2 ASN 35 6.621 3.031 2.643 283 2HB ASN 35 HB3 ASN 35 6.827 1.715 1.497 284 1HD2 ASN 35 HD21 ASN 35 5.149 1.182 0.123 285 2HD2 ASN 35 HD22 ASN 35 3.796 2.231 -0.132 286 H THR 36 HN THR 36 3.595 0.016 3.510 287 HA THR 36 HA THR 36 4.444 -2.451 2.203 288 HB THR 36 HB THR 36 1.726 -1.814 3.363 289 HG1 THR 36 HG1 THR 36 4.080 -2.176 4.631 290 1HG2 THR 36 HG21 THR 36 3.108 -4.441 2.795 291 2HG2 THR 36 HG22 THR 36 1.800 -3.740 1.841 292 3HG2 THR 36 HG23 THR 36 1.504 -4.249 3.504 293 H PHE 37 HN PHE 37 4.403 -2.419 0.043 294 HA PHE 37 HA PHE 37 2.350 -0.908 -1.375 295 1HB PHE 37 HB2 PHE 37 4.657 -2.582 -2.393 296 2HB PHE 37 HB3 PHE 37 3.526 -1.720 -3.425 297 HD1 PHE 37 HD1 PHE 37 6.242 -1.363 -0.988 298 HD2 PHE 37 HD2 PHE 37 3.716 0.646 -3.772 299 HE1 PHE 37 HE1 PHE 37 7.693 0.616 -0.884 300 HE2 PHE 37 HE2 PHE 37 5.172 2.615 -3.673 301 HZ PHE 37 HZ PHE 37 7.163 2.598 -2.233 302 H ILE 38 HN ILE 38 0.997 -1.909 -2.947 303 HA ILE 38 HA ILE 38 0.344 -4.706 -2.290 304 HB ILE 38 HB ILE 38 -1.544 -2.557 -3.275 305 1HG1 ILE 38 HG12 ILE 38 -1.372 -3.686 -0.478 306 2HG1 ILE 38 HG13 ILE 38 -0.597 -2.179 -0.952 307 1HG2 ILE 38 HG21 ILE 38 -2.065 -5.320 -2.182 308 2HG2 ILE 38 HG22 ILE 38 -3.298 -4.146 -2.641 309 3HG2 ILE 38 HG23 ILE 38 -2.223 -4.821 -3.866 310 1HD1 ILE 38 HD11 ILE 38 -2.778 -1.252 -1.535 311 2HD1 ILE 38 HD12 ILE 38 -3.547 -2.760 -1.041 312 3HD1 ILE 38 HD13 ILE 38 -2.709 -1.764 0.149 313 H TYR 39 HN TYR 39 0.933 -6.006 -3.924 314 HA TYR 39 HA TYR 39 1.078 -5.087 -6.644 315 1HB TYR 39 HB2 TYR 39 2.611 -6.838 -5.956 316 2HB TYR 39 HB3 TYR 39 1.274 -7.868 -5.459 317 HD1 TYR 39 HD1 TYR 39 2.609 -6.136 -8.488 318 HD2 TYR 39 HD2 TYR 39 0.503 -9.489 -6.938 319 HE1 TYR 39 HE1 TYR 39 2.577 -7.141 -10.731 320 HE2 TYR 39 HE2 TYR 39 0.464 -10.506 -9.178 321 HH TYR 39 HH TYR 39 0.583 -9.668 -11.585 322 H SER 40 HN SER 40 -0.972 -4.260 -6.831 323 HA SER 40 HA SER 40 -2.918 -5.999 -7.963 324 1HB SER 40 HB2 SER 40 -3.539 -4.679 -5.297 325 2HB SER 40 HB3 SER 40 -4.768 -5.331 -6.375 326 HG SER 40 HG SER 40 -2.730 -7.083 -5.818 327 H ARG 41 HN ARG 41 -4.321 -4.798 -9.248 328 HA ARG 41 HA ARG 41 -3.490 -2.146 -9.827 329 1HB ARG 41 HB2 ARG 41 -5.758 -3.858 -10.792 330 2HB ARG 41 HB3 ARG 41 -5.636 -2.174 -11.262 331 1HG ARG 41 HG2 ARG 41 -3.460 -4.207 -11.710 332 2HG ARG 41 HG3 ARG 41 -4.667 -3.752 -12.916 333 1HD ARG 41 HD2 ARG 41 -3.907 -1.488 -12.921 334 2HD ARG 41 HD3 ARG 41 -2.839 -1.786 -11.553 335 HE ARG 41 HE ARG 41 -1.946 -3.499 -13.468 336 1HH1 ARG 41 HH12 ARG 41 -2.635 -0.069 -13.440 337 2HH1 ARG 41 HH11 ARG 41 -1.295 0.343 -14.477 338 1HH2 ARG 41 HH22 ARG 41 -0.195 -2.986 -14.853 339 2HH2 ARG 41 HH21 ARG 41 0.087 -1.325 -15.305 340 HA PRO 42 HA PRO 42 -5.862 0.448 -7.207 341 1HB PRO 42 HB2 PRO 42 -6.996 2.173 -9.059 342 2HB PRO 42 HB3 PRO 42 -5.359 2.316 -8.417 343 1HG PRO 42 HG2 PRO 42 -6.295 1.129 -10.988 344 2HG PRO 42 HG3 PRO 42 -4.874 2.124 -10.672 345 1HD PRO 42 HD2 PRO 42 -4.676 -0.523 -10.986 346 2HD PRO 42 HD3 PRO 42 -3.669 0.346 -9.802 347 H GLU 43 HN GLU 43 -7.485 -1.088 -9.914 348 HA GLU 43 HA GLU 43 -10.124 -0.381 -9.154 349 1HB GLU 43 HB2 GLU 43 -9.030 -2.568 -10.903 350 2HB GLU 43 HB3 GLU 43 -10.743 -2.337 -10.641 351 1HG GLU 43 HG2 GLU 43 -10.566 -0.076 -11.573 352 2HG GLU 43 HG3 GLU 43 -8.847 -0.352 -11.861 353 HA PRO 44 HA PRO 44 -10.457 -4.812 -7.229 354 1HB PRO 44 HB2 PRO 44 -8.082 -6.085 -6.691 355 2HB PRO 44 HB3 PRO 44 -9.060 -6.369 -8.129 356 1HG PRO 44 HG2 PRO 44 -6.633 -4.665 -7.786 357 2HG PRO 44 HG3 PRO 44 -7.082 -5.721 -9.138 358 1HD PRO 44 HD2 PRO 44 -7.394 -3.047 -9.255 359 2HD PRO 44 HD3 PRO 44 -8.518 -4.157 -10.039 360 H VAL 45 HN VAL 45 -7.964 -2.542 -6.390 361 HA VAL 45 HA VAL 45 -8.069 -3.243 -3.569 362 HB VAL 45 HB VAL 45 -6.590 -1.006 -4.971 363 1HG1 VAL 45 HG11 VAL 45 -5.351 -0.777 -2.850 364 2HG1 VAL 45 HG12 VAL 45 -7.058 -0.372 -2.683 365 3HG1 VAL 45 HG13 VAL 45 -6.458 -1.925 -2.101 366 1HG2 VAL 45 HG21 VAL 45 -4.602 -2.373 -4.533 367 2HG2 VAL 45 HG22 VAL 45 -5.630 -3.639 -3.857 368 3HG2 VAL 45 HG23 VAL 45 -5.764 -3.210 -5.563 369 H LYS 46 HN LYS 46 -9.220 -0.708 -5.740 370 HA LYS 46 HA LYS 46 -10.388 0.905 -3.706 371 1HB LYS 46 HB2 LYS 46 -9.877 1.578 -6.116 372 2HB LYS 46 HB3 LYS 46 -11.332 0.702 -6.565 373 1HG LYS 46 HG2 LYS 46 -12.664 2.171 -5.142 374 2HG LYS 46 HG3 LYS 46 -11.203 3.046 -4.680 375 1HD LYS 46 HD2 LYS 46 -10.843 3.614 -7.062 376 2HD LYS 46 HD3 LYS 46 -12.372 2.826 -7.451 377 1HE LYS 46 HE2 LYS 46 -13.509 4.398 -5.911 378 2HE LYS 46 HE3 LYS 46 -11.977 5.230 -5.675 379 1HZ LYS 46 HZ1 LYS 46 -13.332 4.900 -8.299 380 2HZ LYS 46 HZ2 LYS 46 -11.928 5.800 -7.998 381 3HZ LYS 46 HZ3 LYS 46 -13.412 6.299 -7.341 382 H ALA 47 HN ALA 47 -11.381 -1.882 -5.528 383 HA ALA 47 HA ALA 47 -14.139 -1.832 -4.997 384 1HB ALA 47 HB1 ALA 47 -12.373 -4.225 -5.502 385 2HB ALA 47 HB2 ALA 47 -14.130 -4.179 -5.641 386 3HB ALA 47 HB3 ALA 47 -13.134 -3.226 -6.740 387 H ILE 48 HN ILE 48 -11.495 -2.510 -2.935 388 HA ILE 48 HA ILE 48 -12.794 -4.200 -1.064 389 HB ILE 48 HB ILE 48 -10.560 -2.220 -0.530 390 1HG1 ILE 48 HG12 ILE 48 -10.411 -5.154 -1.268 391 2HG1 ILE 48 HG13 ILE 48 -10.080 -3.829 -2.379 392 1HG2 ILE 48 HG21 ILE 48 -10.022 -3.715 1.340 393 2HG2 ILE 48 HG22 ILE 48 -11.638 -3.025 1.499 394 3HG2 ILE 48 HG23 ILE 48 -11.441 -4.692 0.960 395 1HD1 ILE 48 HD11 ILE 48 -8.035 -4.802 -1.517 396 2HD1 ILE 48 HD12 ILE 48 -8.209 -3.130 -0.987 397 3HD1 ILE 48 HD13 ILE 48 -8.551 -4.448 0.133 398 H CYS 49 HN CYS 49 -12.681 -0.753 -1.599 399 HA CYS 49 HA CYS 49 -14.231 -0.255 0.831 400 1HB CYS 49 HB2 CYS 49 -12.849 1.626 -1.091 401 2HB CYS 49 HB3 CYS 49 -13.681 2.115 0.380 402 H LYS 50 HN LYS 50 -15.051 -1.305 -2.004 403 HA LYS 50 HA LYS 50 -16.772 0.581 -3.173 404 1HB LYS 50 HB2 LYS 50 -16.013 -1.460 -4.322 405 2HB LYS 50 HB3 LYS 50 -16.971 -2.437 -3.217 406 1HG LYS 50 HG2 LYS 50 -19.010 -1.393 -4.059 407 2HG LYS 50 HG3 LYS 50 -18.052 -0.409 -5.166 408 1HD LYS 50 HD2 LYS 50 -18.943 -2.283 -6.378 409 2HD LYS 50 HD3 LYS 50 -17.201 -2.505 -6.199 410 1HE LYS 50 HE2 LYS 50 -18.265 -4.606 -5.772 411 2HE LYS 50 HE3 LYS 50 -17.658 -3.978 -4.242 412 1HZ LYS 50 HZ1 LYS 50 -19.906 -4.916 -4.071 413 2HZ LYS 50 HZ2 LYS 50 -20.477 -3.757 -5.166 414 3HZ LYS 50 HZ3 LYS 50 -19.874 -3.272 -3.657 415 H GLY 51 HN GLY 51 -18.379 1.553 -2.156 416 1HA GLY 51 HA1 GLY 51 -20.645 1.503 -1.468 417 2HA GLY 51 HA2 GLY 51 -20.397 -0.126 -0.858 418 H ILE 52 HN ILE 52 -17.760 1.546 0.133 419 HA ILE 52 HA ILE 52 -18.991 2.049 2.753 420 HB ILE 52 HB ILE 52 -16.035 2.006 2.152 421 1HG1 ILE 52 HG12 ILE 52 -16.936 -0.161 1.472 422 2HG1 ILE 52 HG13 ILE 52 -16.011 -0.328 2.958 423 1HG2 ILE 52 HG21 ILE 52 -16.701 3.067 4.238 424 2HG2 ILE 52 HG22 ILE 52 -17.597 1.620 4.705 425 3HG2 ILE 52 HG23 ILE 52 -15.840 1.559 4.550 426 1HD1 ILE 52 HD11 ILE 52 -18.016 -1.664 3.043 427 2HD1 ILE 52 HD12 ILE 52 -18.097 -0.370 4.237 428 3HD1 ILE 52 HD13 ILE 52 -19.007 -0.239 2.733 429 H ILE 53 HN ILE 53 -19.874 4.077 2.420 430 HA ILE 53 HA ILE 53 -18.274 6.208 1.333 431 HB ILE 53 HB ILE 53 -21.080 6.074 2.417 432 1HG1 ILE 53 HG12 ILE 53 -21.646 6.748 0.113 433 2HG1 ILE 53 HG13 ILE 53 -19.944 6.740 -0.312 434 1HG2 ILE 53 HG21 ILE 53 -19.651 8.549 1.452 435 2HG2 ILE 53 HG22 ILE 53 -21.360 8.432 1.870 436 3HG2 ILE 53 HG23 ILE 53 -20.131 8.216 3.116 437 1HD1 ILE 53 HD11 ILE 53 -19.891 4.322 0.177 438 2HD1 ILE 53 HD12 ILE 53 -21.629 4.378 0.475 439 3HD1 ILE 53 HD13 ILE 53 -20.998 4.751 -1.130 440 H ALA 54 HN ALA 54 -19.784 5.508 4.486 441 HA ALA 54 HA ALA 54 -18.539 7.645 5.850 442 1HB ALA 54 HB1 ALA 54 -19.561 5.033 6.957 443 2HB ALA 54 HB2 ALA 54 -19.167 6.475 7.894 444 3HB ALA 54 HB3 ALA 54 -20.504 6.509 6.744 445 H SER 55 HN SER 55 -16.601 7.848 6.755 446 HA SER 55 HA SER 55 -14.413 6.323 5.976 447 1HB SER 55 HB2 SER 55 -14.480 8.690 6.965 448 2HB SER 55 HB3 SER 55 -14.505 7.909 8.544 449 HG SER 55 HG SER 55 -12.442 8.249 6.772 450 H LYS 56 HN LYS 56 -14.244 4.201 6.377 451 HA LYS 56 HA LYS 56 -14.498 3.273 9.147 452 1HB LYS 56 HB2 LYS 56 -16.662 2.901 7.993 453 2HB LYS 56 HB3 LYS 56 -15.831 1.945 6.778 454 1HG LYS 56 HG2 LYS 56 -15.236 0.287 8.438 455 2HG LYS 56 HG3 LYS 56 -15.969 1.268 9.709 456 1HD LYS 56 HD2 LYS 56 -18.147 1.076 8.546 457 2HD LYS 56 HD3 LYS 56 -17.390 0.009 7.362 458 1HE LYS 56 HE2 LYS 56 -18.596 -1.249 9.080 459 2HE LYS 56 HE3 LYS 56 -16.867 -1.595 9.113 460 1HZ LYS 56 HZ1 LYS 56 -18.017 0.468 10.881 461 2HZ LYS 56 HZ2 LYS 56 -16.586 -0.415 11.070 462 3HZ LYS 56 HZ3 LYS 56 -18.085 -1.167 11.314 463 H ASN 57 HN ASN 57 -12.935 1.926 9.723 464 HA ASN 57 HA ASN 57 -10.915 1.103 7.848 465 1HB ASN 57 HB2 ASN 57 -11.346 0.666 10.800 466 2HB ASN 57 HB3 ASN 57 -10.053 -0.153 9.936 467 1HD2 ASN 57 HD21 ASN 57 -8.550 0.892 11.252 468 2HD2 ASN 57 HD22 ASN 57 -8.120 2.546 10.996 469 H VAL 58 HN VAL 58 -11.256 -0.590 6.514 470 HA VAL 58 HA VAL 58 -12.830 -2.842 7.585 471 HB VAL 58 HB VAL 58 -13.641 -3.351 5.409 472 1HG1 VAL 58 HG11 VAL 58 -13.837 -0.386 5.881 473 2HG1 VAL 58 HG12 VAL 58 -14.897 -1.323 4.825 474 3HG1 VAL 58 HG13 VAL 58 -14.881 -1.633 6.562 475 1HG2 VAL 58 HG21 VAL 58 -13.038 -2.143 3.395 476 2HG2 VAL 58 HG22 VAL 58 -11.921 -1.137 4.316 477 3HG2 VAL 58 HG23 VAL 58 -11.610 -2.864 4.138 478 H LEU 59 HN LEU 59 -12.039 -4.860 7.435 479 HA LEU 59 HA LEU 59 -9.273 -5.128 6.507 480 1HB LEU 59 HB2 LEU 59 -9.770 -5.588 8.887 481 2HB LEU 59 HB3 LEU 59 -10.896 -6.830 8.408 482 HG LEU 59 HG LEU 59 -8.494 -7.434 9.234 483 1HD1 LEU 59 HD11 LEU 59 -8.547 -9.474 7.905 484 2HD1 LEU 59 HD12 LEU 59 -10.142 -9.050 8.527 485 3HD1 LEU 59 HD13 LEU 59 -9.745 -8.742 6.836 486 1HD2 LEU 59 HD21 LEU 59 -7.281 -6.040 7.665 487 2HD2 LEU 59 HD22 LEU 59 -6.902 -7.746 7.412 488 3HD2 LEU 59 HD23 LEU 59 -8.002 -6.914 6.312 489 H THR 60 HN THR 60 -8.752 -6.593 4.938 490 HA THR 60 HA THR 60 -10.851 -7.261 3.147 491 HB THR 60 HB THR 60 -9.053 -8.336 1.788 492 HG1 THR 60 HG1 THR 60 -7.269 -8.859 2.770 493 1HG2 THR 60 HG21 THR 60 -9.570 -5.968 1.516 494 2HG2 THR 60 HG22 THR 60 -7.843 -6.256 1.309 495 3HG2 THR 60 HG23 THR 60 -8.448 -5.563 2.814 496 H THR 61 HN THR 61 -11.487 -9.256 2.375 497 HA THR 61 HA THR 61 -11.671 -11.288 4.411 498 HB THR 61 HB THR 61 -13.113 -12.375 2.597 499 HG1 THR 61 HG1 THR 61 -12.924 -11.421 0.718 500 1HG2 THR 61 HG21 THR 61 -14.985 -10.831 3.036 501 2HG2 THR 61 HG22 THR 61 -13.834 -9.637 3.648 502 3HG2 THR 61 HG23 THR 61 -14.058 -11.170 4.500 503 H SER 62 HN SER 62 -9.625 -10.627 1.872 504 HA SER 62 HA SER 62 -8.633 -13.377 1.747 505 1HB SER 62 HB2 SER 62 -8.887 -11.643 -0.716 506 2HB SER 62 HB3 SER 62 -8.509 -13.362 -0.637 507 HG SER 62 HG SER 62 -10.699 -13.571 0.323 508 H GLU 63 HN GLU 63 -6.378 -13.488 0.982 509 HA GLU 63 HA GLU 63 -4.873 -11.183 1.873 510 1HB GLU 63 HB2 GLU 63 -3.777 -13.778 0.770 511 2HB GLU 63 HB3 GLU 63 -2.905 -12.556 1.670 512 1HG GLU 63 HG2 GLU 63 -3.273 -14.284 3.181 513 2HG GLU 63 HG3 GLU 63 -4.455 -13.054 3.605 514 H PHE 64 HN PHE 64 -3.426 -10.012 0.623 515 HA PHE 64 HA PHE 64 -3.686 -10.386 -2.289 516 1HB PHE 64 HB2 PHE 64 -3.412 -7.851 -0.683 517 2HB PHE 64 HB3 PHE 64 -3.116 -7.907 -2.413 518 HD1 PHE 64 HD1 PHE 64 -4.888 -7.707 -3.927 519 HD2 PHE 64 HD2 PHE 64 -5.701 -8.559 0.160 520 HE1 PHE 64 HE1 PHE 64 -7.291 -7.384 -4.341 521 HE2 PHE 64 HE2 PHE 64 -8.103 -8.236 -0.245 522 HZ PHE 64 HZ PHE 64 -8.889 -7.605 -2.532 523 H TYR 65 HN TYR 65 -1.762 -9.498 -3.483 524 HA TYR 65 HA TYR 65 0.591 -10.681 -2.296 525 1HB TYR 65 HB2 TYR 65 0.289 -9.327 -4.986 526 2HB TYR 65 HB3 TYR 65 1.604 -10.385 -4.479 527 HD1 TYR 65 HD1 TYR 65 -1.437 -10.243 -6.234 528 HD2 TYR 65 HD2 TYR 65 0.835 -12.785 -3.687 529 HE1 TYR 65 HE1 TYR 65 -2.689 -12.190 -7.066 530 HE2 TYR 65 HE2 TYR 65 -0.410 -14.735 -4.515 531 HH TYR 65 HH TYR 65 -2.527 -14.546 -7.246 532 H LEU 66 HN LEU 66 1.542 -9.451 -0.803 533 HA LEU 66 HA LEU 66 1.581 -6.546 -1.206 534 1HB LEU 66 HB2 LEU 66 2.058 -8.137 1.311 535 2HB LEU 66 HB3 LEU 66 1.941 -6.391 1.194 536 HG LEU 66 HG LEU 66 -0.295 -8.335 0.618 537 1HD1 LEU 66 HD11 LEU 66 0.159 -6.470 2.937 538 2HD1 LEU 66 HD12 LEU 66 -1.296 -7.427 2.657 539 3HD1 LEU 66 HD13 LEU 66 0.240 -8.230 2.982 540 1HD2 LEU 66 HD21 LEU 66 -0.270 -5.318 0.674 541 2HD2 LEU 66 HD22 LEU 66 -0.480 -6.338 -0.750 542 3HD2 LEU 66 HD23 LEU 66 -1.707 -6.329 0.514 543 H SER 67 HN SER 67 3.469 -5.352 -0.859 544 HA SER 67 HA SER 67 5.966 -6.901 -0.698 545 1HB SER 67 HB2 SER 67 5.561 -4.381 -2.328 546 2HB SER 67 HB3 SER 67 6.982 -5.425 -2.310 547 HG SER 67 HG SER 67 6.028 -6.339 -3.949 548 H ASP 68 HN ASP 68 6.858 -6.440 1.189 549 HA ASP 68 HA ASP 68 6.249 -3.901 2.500 550 1HB ASP 68 HB2 ASP 68 5.926 -5.939 3.812 551 2HB ASP 68 HB3 ASP 68 7.607 -6.396 3.547 552 H CYS 69 HN CYS 69 7.583 -2.277 2.120 553 HA CYS 69 HA CYS 69 10.452 -2.861 1.884 554 1HB CYS 69 HB2 CYS 69 8.754 -0.570 0.928 555 2HB CYS 69 HB3 CYS 69 10.505 -0.423 1.033 556 H ASN 70 HN ASN 70 11.629 -2.522 3.613 557 HA ASN 70 HA ASN 70 10.827 -0.398 5.487 558 1HB ASN 70 HB2 ASN 70 11.629 -1.877 7.344 559 2HB ASN 70 HB3 ASN 70 10.195 -2.484 6.525 560 1HD2 ASN 70 HD21 ASN 70 10.309 -4.365 5.328 561 2HD2 ASN 70 HD22 ASN 70 11.690 -5.412 5.387 562 H VAL 71 HN VAL 71 12.563 0.518 6.718 563 HA VAL 71 HA VAL 71 14.917 0.822 5.097 564 HB VAL 71 HB VAL 71 13.770 2.700 6.309 565 1HG1 VAL 71 HG11 VAL 71 15.086 1.476 8.722 566 2HG1 VAL 71 HG12 VAL 71 14.373 3.089 8.657 567 3HG1 VAL 71 HG13 VAL 71 13.354 1.666 8.440 568 1HG2 VAL 71 HG21 VAL 71 15.991 2.977 5.383 569 2HG2 VAL 71 HG22 VAL 71 15.841 3.857 6.905 570 3HG2 VAL 71 HG23 VAL 71 16.706 2.322 6.856 571 H THR 72 HN THR 72 16.917 0.196 5.458 572 HA THR 72 HA THR 72 17.239 -2.036 7.295 573 HB THR 72 HB THR 72 19.358 -2.424 6.027 574 HG1 THR 72 HG1 THR 72 18.420 -0.434 4.232 575 1HG2 THR 72 HG21 THR 72 18.288 -3.156 3.951 576 2HG2 THR 72 HG22 THR 72 16.886 -2.150 4.311 577 3HG2 THR 72 HG23 THR 72 17.271 -3.525 5.344 578 H SER 73 HN SER 73 20.163 -1.678 7.168 579 HA SER 73 HA SER 73 20.411 -0.048 9.547 580 1HB SER 73 HB2 SER 73 22.462 -1.753 8.167 581 2HB SER 73 HB3 SER 73 22.602 -1.061 9.778 582 HG SER 73 HG SER 73 21.820 -2.978 10.286 583 H ARG 74 HN ARG 74 20.630 0.420 6.291 584 HA ARG 74 HA ARG 74 22.537 2.624 6.611 585 1HB ARG 74 HB2 ARG 74 21.657 1.070 4.192 586 2HB ARG 74 HB3 ARG 74 22.436 2.641 4.040 587 1HG ARG 74 HG2 ARG 74 24.383 1.814 5.222 588 2HG ARG 74 HG3 ARG 74 23.605 0.243 5.426 589 1HD ARG 74 HD2 ARG 74 23.502 0.015 2.965 590 2HD ARG 74 HD3 ARG 74 24.373 1.540 2.812 591 HE ARG 74 HE ARG 74 25.531 -0.801 4.187 592 1HH1 ARG 74 HH12 ARG 74 25.741 1.795 1.846 593 2HH1 ARG 74 HH11 ARG 74 27.409 1.482 1.459 594 1HH2 ARG 74 HH22 ARG 74 27.702 -1.237 3.671 595 2HH2 ARG 74 HH21 ARG 74 28.528 -0.238 2.508 596 HA PRO 75 HA PRO 75 19.257 5.406 6.650 597 1HB PRO 75 HB2 PRO 75 20.429 7.641 5.665 598 2HB PRO 75 HB3 PRO 75 20.747 7.015 7.284 599 1HG PRO 75 HG2 PRO 75 22.399 6.804 4.815 600 2HG PRO 75 HG3 PRO 75 22.914 6.980 6.501 601 1HD PRO 75 HD2 PRO 75 22.939 4.609 5.103 602 2HD PRO 75 HD3 PRO 75 22.858 4.716 6.868 603 H CYS 76 HN CYS 76 17.575 5.421 5.413 604 HA CYS 76 HA CYS 76 16.179 5.522 3.634 605 1HB CYS 76 HB2 CYS 76 18.411 7.124 2.361 606 2HB CYS 76 HB3 CYS 76 16.751 7.036 1.778 607 H LYS 77 HN LYS 77 18.249 3.366 3.885 608 HA LYS 77 HA LYS 77 18.124 2.407 1.104 609 1HB LYS 77 HB2 LYS 77 20.366 2.320 2.059 610 2HB LYS 77 HB3 LYS 77 19.770 1.421 3.447 611 1HG LYS 77 HG2 LYS 77 20.915 -0.040 1.883 612 2HG LYS 77 HG3 LYS 77 19.206 -0.458 2.004 613 1HD LYS 77 HD2 LYS 77 19.902 -0.536 -0.312 614 2HD LYS 77 HD3 LYS 77 18.778 0.804 -0.075 615 1HE LYS 77 HE2 LYS 77 20.598 2.384 -0.046 616 2HE LYS 77 HE3 LYS 77 21.782 1.078 -0.106 617 1HZ LYS 77 HZ1 LYS 77 20.950 0.477 -2.293 618 2HZ LYS 77 HZ2 LYS 77 21.490 2.082 -2.274 619 3HZ LYS 77 HZ3 LYS 77 19.824 1.743 -2.249 620 H TYR 78 HN TYR 78 16.794 0.706 0.610 621 HA TYR 78 HA TYR 78 14.989 -0.035 2.813 622 1HB TYR 78 HB2 TYR 78 14.187 -0.030 -0.080 623 2HB TYR 78 HB3 TYR 78 13.180 0.172 1.355 624 HD1 TYR 78 HD1 TYR 78 13.318 2.338 2.639 625 HD2 TYR 78 HD2 TYR 78 15.136 1.820 -1.167 626 HE1 TYR 78 HE1 TYR 78 13.473 4.779 2.385 627 HE2 TYR 78 HE2 TYR 78 15.294 4.255 -1.437 628 HH TYR 78 HH TYR 78 14.289 6.261 -0.603 629 H LYS 79 HN LYS 79 14.097 -2.053 2.915 630 HA LYS 79 HA LYS 79 15.387 -4.154 1.297 631 1HB LYS 79 HB2 LYS 79 15.724 -4.149 3.817 632 2HB LYS 79 HB3 LYS 79 14.007 -4.490 3.968 633 1HG LYS 79 HG2 LYS 79 14.416 -6.522 2.539 634 2HG LYS 79 HG3 LYS 79 16.138 -6.199 2.735 635 1HD LYS 79 HD2 LYS 79 15.699 -6.221 5.241 636 2HD LYS 79 HD3 LYS 79 14.122 -6.911 4.850 637 1HE LYS 79 HE2 LYS 79 16.828 -8.070 4.204 638 2HE LYS 79 HE3 LYS 79 15.660 -8.688 5.369 639 1HZ LYS 79 HZ1 LYS 79 14.142 -9.159 3.553 640 2HZ LYS 79 HZ2 LYS 79 15.622 -9.948 3.310 641 3HZ LYS 79 HZ3 LYS 79 15.255 -8.550 2.428 642 H LEU 80 HN LEU 80 14.097 -5.399 0.032 643 HA LEU 80 HA LEU 80 11.232 -4.795 0.035 644 1HB LEU 80 HB2 LEU 80 12.630 -4.646 -2.057 645 2HB LEU 80 HB3 LEU 80 12.817 -6.383 -1.981 646 HG LEU 80 HG LEU 80 11.036 -5.340 -3.553 647 1HD1 LEU 80 HD11 LEU 80 9.608 -7.286 -3.334 648 2HD1 LEU 80 HD12 LEU 80 11.311 -7.730 -3.218 649 3HD1 LEU 80 HD13 LEU 80 10.322 -7.643 -1.760 650 1HD2 LEU 80 HD21 LEU 80 9.964 -3.924 -1.918 651 2HD2 LEU 80 HD22 LEU 80 8.827 -5.122 -2.538 652 3HD2 LEU 80 HD23 LEU 80 9.550 -5.334 -0.942 653 H LYS 81 HN LYS 81 9.656 -6.378 0.180 654 HA LYS 81 HA LYS 81 10.461 -9.098 0.873 655 1HB LYS 81 HB2 LYS 81 10.465 -8.053 3.030 656 2HB LYS 81 HB3 LYS 81 8.943 -7.239 2.705 657 1HG LYS 81 HG2 LYS 81 7.810 -9.427 2.688 658 2HG LYS 81 HG3 LYS 81 9.345 -10.199 3.091 659 1HD LYS 81 HD2 LYS 81 9.443 -9.092 5.196 660 2HD LYS 81 HD3 LYS 81 8.096 -8.037 4.775 661 1HE LYS 81 HE2 LYS 81 7.355 -9.765 6.300 662 2HE LYS 81 HE3 LYS 81 6.602 -9.984 4.724 663 1HZ LYS 81 HZ1 LYS 81 8.226 -11.714 4.232 664 2HZ LYS 81 HZ2 LYS 81 7.350 -12.081 5.637 665 3HZ LYS 81 HZ3 LYS 81 8.938 -11.500 5.758 666 H LYS 82 HN LYS 82 9.310 -10.260 -0.546 667 HA LYS 82 HA LYS 82 6.655 -9.436 -1.352 668 1HB LYS 82 HB2 LYS 82 8.089 -12.008 -1.999 669 2HB LYS 82 HB3 LYS 82 6.730 -11.300 -2.858 670 1HG LYS 82 HG2 LYS 82 8.274 -9.350 -3.377 671 2HG LYS 82 HG3 LYS 82 9.587 -10.397 -2.822 672 1HD LYS 82 HD2 LYS 82 8.844 -12.110 -4.439 673 2HD LYS 82 HD3 LYS 82 7.638 -10.975 -5.031 674 1HE LYS 82 HE2 LYS 82 9.429 -10.810 -6.541 675 2HE LYS 82 HE3 LYS 82 9.569 -9.397 -5.498 676 1HZ LYS 82 HZ1 LYS 82 11.081 -11.907 -5.050 677 2HZ LYS 82 HZ2 LYS 82 11.336 -10.405 -4.303 678 3HZ LYS 82 HZ3 LYS 82 11.688 -10.605 -5.949 679 H SER 83 HN SER 83 4.890 -9.957 -0.221 680 HA SER 83 HA SER 83 4.770 -12.595 1.055 681 1HB SER 83 HB2 SER 83 3.995 -10.008 2.436 682 2HB SER 83 HB3 SER 83 3.807 -11.632 3.100 683 HG SER 83 HG SER 83 6.216 -11.725 2.649 684 H THR 84 HN THR 84 2.498 -13.132 1.727 685 HA THR 84 HA THR 84 0.469 -11.604 0.235 686 HB THR 84 HB THR 84 0.331 -14.605 0.560 687 HG1 THR 84 HG1 THR 84 2.166 -13.785 -0.801 688 1HG2 THR 84 HG21 THR 84 -1.796 -13.518 0.148 689 2HG2 THR 84 HG22 THR 84 -1.294 -14.408 -1.291 690 3HG2 THR 84 HG23 THR 84 -1.116 -12.655 -1.232 691 H ASN 85 HN ASN 85 -0.846 -10.725 1.677 692 HA ASN 85 HA ASN 85 -1.906 -12.269 3.880 693 1HB ASN 85 HB2 ASN 85 0.333 -11.024 4.563 694 2HB ASN 85 HB3 ASN 85 -0.744 -9.645 4.628 695 1HD2 ASN 85 HD21 ASN 85 0.687 -10.830 6.794 696 2HD2 ASN 85 HD22 ASN 85 -0.496 -11.346 7.953 697 H LYS 86 HN LYS 86 -3.715 -11.109 4.925 698 HA LYS 86 HA LYS 86 -5.176 -9.416 3.152 699 1HB LYS 86 HB2 LYS 86 -5.594 -9.944 6.098 700 2HB LYS 86 HB3 LYS 86 -6.764 -9.227 5.005 701 1HG LYS 86 HG2 LYS 86 -6.902 -11.317 3.761 702 2HG LYS 86 HG3 LYS 86 -5.714 -12.047 4.846 703 1HD LYS 86 HD2 LYS 86 -7.177 -11.805 6.707 704 2HD LYS 86 HD3 LYS 86 -8.302 -10.850 5.765 705 1HE LYS 86 HE2 LYS 86 -9.216 -13.029 5.968 706 2HE LYS 86 HE3 LYS 86 -8.634 -12.845 4.318 707 1HZ LYS 86 HZ1 LYS 86 -6.827 -14.227 4.711 708 2HZ LYS 86 HZ2 LYS 86 -8.108 -14.997 5.514 709 3HZ LYS 86 HZ3 LYS 86 -6.967 -14.109 6.402 710 H PHE 87 HN PHE 87 -6.048 -7.257 4.143 711 HA PHE 87 HA PHE 87 -4.301 -5.946 5.995 712 1HB PHE 87 HB2 PHE 87 -3.609 -4.105 4.506 713 2HB PHE 87 HB3 PHE 87 -2.932 -5.654 4.024 714 HD1 PHE 87 HD1 PHE 87 -3.554 -6.684 1.940 715 HD2 PHE 87 HD2 PHE 87 -5.291 -2.997 3.153 716 HE1 PHE 87 HE1 PHE 87 -4.384 -6.320 -0.344 717 HE2 PHE 87 HE2 PHE 87 -6.127 -2.634 0.870 718 HZ PHE 87 HZ PHE 87 -5.668 -4.300 -0.889 719 H CYS 88 HN CYS 88 -5.130 -4.058 6.831 720 HA CYS 88 HA CYS 88 -7.966 -3.657 6.213 721 1HB CYS 88 HB2 CYS 88 -7.250 -4.185 8.565 722 2HB CYS 88 HB3 CYS 88 -6.392 -2.648 8.593 723 H VAL 89 HN VAL 89 -8.634 -1.839 5.270 724 HA VAL 89 HA VAL 89 -6.750 0.417 5.138 725 HB VAL 89 HB VAL 89 -7.864 0.987 2.923 726 1HG1 VAL 89 HG11 VAL 89 -5.600 0.137 3.032 727 2HG1 VAL 89 HG12 VAL 89 -6.197 -1.521 3.104 728 3HG1 VAL 89 HG13 VAL 89 -6.437 -0.558 1.645 729 1HG2 VAL 89 HG21 VAL 89 -8.881 -0.862 1.668 730 2HG2 VAL 89 HG22 VAL 89 -8.750 -1.898 3.092 731 3HG2 VAL 89 HG23 VAL 89 -9.808 -0.487 3.121 732 H THR 90 HN THR 90 -7.579 2.447 5.455 733 HA THR 90 HA THR 90 -10.185 2.582 6.659 734 HB THR 90 HB THR 90 -8.283 4.833 5.962 735 HG1 THR 90 HG1 THR 90 -8.704 3.543 8.473 736 1HG2 THR 90 HG21 THR 90 -10.657 4.758 7.831 737 2HG2 THR 90 HG22 THR 90 -10.574 5.616 6.293 738 3HG2 THR 90 HG23 THR 90 -9.549 6.114 7.639 739 H CYS 91 HN CYS 91 -11.897 2.479 5.315 740 HA CYS 91 HA CYS 91 -11.678 3.575 2.625 741 1HB CYS 91 HB2 CYS 91 -13.874 1.984 3.957 742 2HB CYS 91 HB3 CYS 91 -13.841 2.447 2.258 743 H GLU 92 HN GLU 92 -12.519 5.434 1.995 744 HA GLU 92 HA GLU 92 -14.692 6.636 3.543 745 1HB GLU 92 HB2 GLU 92 -12.421 7.510 4.300 746 2HB GLU 92 HB3 GLU 92 -12.259 8.211 2.702 747 1HG GLU 92 HG2 GLU 92 -14.154 9.626 3.061 748 2HG GLU 92 HG3 GLU 92 -14.504 8.835 4.599 749 H ASN 93 HN ASN 93 -16.257 7.123 2.171 750 HA ASN 93 HA ASN 93 -17.412 7.612 0.295 751 1HB ASN 93 HB2 ASN 93 -14.908 9.196 -0.307 752 2HB ASN 93 HB3 ASN 93 -16.376 9.283 -1.279 753 1HD2 ASN 93 HD21 ASN 93 -15.069 11.385 0.241 754 2HD2 ASN 93 HD22 ASN 93 -16.241 11.948 1.383 755 H GLN 94 HN GLN 94 -16.221 5.175 0.340 756 HA GLN 94 HA GLN 94 -16.082 3.357 -0.984 757 1HB GLN 94 HB2 GLN 94 -16.678 5.296 -3.213 758 2HB GLN 94 HB3 GLN 94 -16.624 3.547 -3.399 759 1HG GLN 94 HG2 GLN 94 -18.425 3.377 -1.696 760 2HG GLN 94 HG3 GLN 94 -18.536 5.136 -1.708 761 1HE2 GLN 94 HE21 GLN 94 -17.842 3.276 -4.563 762 2HE2 GLN 94 HE22 GLN 94 -19.358 3.562 -5.351 763 H ALA 95 HN ALA 95 -13.767 5.377 -0.615 764 HA ALA 95 HA ALA 95 -11.983 3.878 -2.389 765 1HB ALA 95 HB1 ALA 95 -10.707 5.898 -2.895 766 2HB ALA 95 HB2 ALA 95 -12.377 6.043 -3.443 767 3HB ALA 95 HB3 ALA 95 -11.859 6.861 -1.971 768 HA PRO 96 HA PRO 96 -9.553 3.349 1.335 769 1HB PRO 96 HB2 PRO 96 -7.362 2.961 -0.607 770 2HB PRO 96 HB3 PRO 96 -7.938 1.883 0.666 771 1HG PRO 96 HG2 PRO 96 -8.410 1.396 -1.938 772 2HG PRO 96 HG3 PRO 96 -9.569 0.959 -0.674 773 1HD PRO 96 HD2 PRO 96 -9.651 3.210 -2.609 774 2HD PRO 96 HD3 PRO 96 -10.979 2.259 -1.927 775 H VAL 97 HN VAL 97 -9.065 5.212 2.364 776 HA VAL 97 HA VAL 97 -7.485 7.220 0.912 777 HB VAL 97 HB VAL 97 -8.265 8.852 2.588 778 1HG1 VAL 97 HG11 VAL 97 -10.448 7.309 1.191 779 2HG1 VAL 97 HG12 VAL 97 -10.629 8.927 1.868 780 3HG1 VAL 97 HG13 VAL 97 -9.511 8.650 0.530 781 1HG2 VAL 97 HG21 VAL 97 -9.944 6.572 3.619 782 2HG2 VAL 97 HG22 VAL 97 -8.596 7.335 4.462 783 3HG2 VAL 97 HG23 VAL 97 -10.062 8.256 4.133 784 H HIS 98 HN HIS 98 -7.491 5.180 3.722 785 HA HIS 98 HA HIS 98 -4.752 6.067 4.308 786 1HB HIS 98 HB2 HIS 98 -6.996 5.692 6.284 787 2HB HIS 98 HB3 HIS 98 -5.316 5.527 6.769 788 HD1 HIS 98 HD1 HIS 98 -4.375 7.584 7.727 789 HD2 HIS 98 HD2 HIS 98 -7.385 8.405 4.977 790 HE1 HIS 98 HE1 HIS 98 -4.656 10.084 7.747 791 HE2 HIS 98 HE2 HIS 98 -6.630 10.521 6.251 792 H PHE 99 HN PHE 99 -3.353 4.456 5.002 793 HA PHE 99 HA PHE 99 -4.385 1.722 4.682 794 1HB PHE 99 HB2 PHE 99 -2.457 2.430 3.241 795 2HB PHE 99 HB3 PHE 99 -1.500 2.640 4.705 796 HD1 PHE 99 HD1 PHE 99 -0.283 0.857 5.553 797 HD2 PHE 99 HD2 PHE 99 -3.497 0.102 2.868 798 HE1 PHE 99 HE1 PHE 99 0.340 -1.523 5.483 799 HE2 PHE 99 HE2 PHE 99 -2.883 -2.277 2.792 800 HZ PHE 99 HZ PHE 99 -0.960 -3.093 4.099 801 H VAL 100 HN VAL 100 -4.684 0.545 6.449 802 HA VAL 100 HA VAL 100 -3.815 1.590 9.009 803 HB VAL 100 HB VAL 100 -5.437 -0.887 8.385 804 1HG1 VAL 100 HG11 VAL 100 -5.005 0.595 10.972 805 2HG1 VAL 100 HG12 VAL 100 -6.146 -0.729 10.734 806 3HG1 VAL 100 HG13 VAL 100 -4.415 -1.018 10.565 807 1HG2 VAL 100 HG21 VAL 100 -6.586 1.096 7.572 808 2HG2 VAL 100 HG22 VAL 100 -7.396 0.482 9.013 809 3HG2 VAL 100 HG23 VAL 100 -6.349 1.897 9.124 810 H GLY 101 HN GLY 101 -3.813 -1.735 7.746 811 1HA GLY 101 HA1 GLY 101 -1.050 -2.156 7.758 812 2HA GLY 101 HA2 GLY 101 -1.655 -2.598 9.349 813 H VAL 102 HN VAL 102 -0.490 -4.521 7.834 814 HA VAL 102 HA VAL 102 -2.540 -5.890 6.331 815 HB VAL 102 HB VAL 102 -0.952 -7.352 5.575 816 1HG1 VAL 102 HG11 VAL 102 -0.437 -5.138 4.781 817 2HG1 VAL 102 HG12 VAL 102 0.601 -4.852 6.180 818 3HG1 VAL 102 HG13 VAL 102 1.047 -6.071 4.984 819 1HG2 VAL 102 HG21 VAL 102 -0.218 -8.103 7.822 820 2HG2 VAL 102 HG22 VAL 102 1.083 -7.992 6.636 821 3HG2 VAL 102 HG23 VAL 102 0.898 -6.736 7.863 822 H GLY 103 HN GLY 103 -3.174 -8.067 6.753 823 1HA GLY 103 HA1 GLY 103 -3.511 -9.925 8.156 824 2HA GLY 103 HA2 GLY 103 -2.813 -9.023 9.493 825 H SER 104 HN SER 104 -4.132 -7.090 10.185 826 HA SER 104 HA SER 104 -6.978 -7.230 9.776 827 1HB SER 104 HB2 SER 104 -7.440 -7.621 12.198 828 2HB SER 104 HB3 SER 104 -6.728 -9.021 11.400 829 HG SER 104 HG SER 104 -5.835 -7.658 13.525 830 H CYS 105 HN CYS 105 -8.049 -5.643 11.414 831 HA CYS 105 HA CYS 105 -6.394 -3.237 11.559 832 1HB CYS 105 HB2 CYS 105 -9.201 -3.739 11.190 833 2HB CYS 105 HB3 CYS 105 -8.938 -2.688 12.574 Start of MODEL 19 1 1H MET 1 H1 MET 1 -4.973 16.928 1.911 2 2H MET 1 H2 MET 1 -3.686 16.618 2.969 3 3H MET 1 H3 MET 1 -5.058 17.440 3.525 4 HA MET 1 HA MET 1 -5.023 15.144 4.275 5 1HB MET 1 HB2 MET 1 -7.279 14.548 3.607 6 2HB MET 1 HB3 MET 1 -7.192 16.285 3.860 7 1HG MET 1 HG2 MET 1 -7.057 16.646 1.457 8 2HG MET 1 HG3 MET 1 -7.096 14.906 1.185 9 1HE MET 1 HE1 MET 1 -10.708 13.991 2.422 10 2HE MET 1 HE2 MET 1 -9.236 13.376 1.667 11 3HE MET 1 HE3 MET 1 -9.202 13.944 3.337 12 H GLN 2 HN GLN 2 -4.994 12.934 3.787 13 HA GLN 2 HA GLN 2 -3.839 12.302 1.182 14 1HB GLN 2 HB2 GLN 2 -4.345 10.400 3.475 15 2HB GLN 2 HB3 GLN 2 -3.253 10.175 2.114 16 1HG GLN 2 HG2 GLN 2 -1.924 12.109 2.960 17 2HG GLN 2 HG3 GLN 2 -2.955 12.113 4.391 18 1HE2 GLN 2 HE21 GLN 2 -0.361 10.584 2.740 19 2HE2 GLN 2 HE22 GLN 2 0.043 9.447 3.982 20 H ASP 3 HN ASP 3 -4.815 10.908 -0.290 21 HA ASP 3 HA ASP 3 -7.609 10.197 0.226 22 1HB ASP 3 HB2 ASP 3 -8.436 11.329 -1.682 23 2HB ASP 3 HB3 ASP 3 -7.399 12.500 -0.875 24 H TRP 4 HN TRP 4 -8.354 9.278 -2.199 25 HA TRP 4 HA TRP 4 -7.176 6.744 -2.286 26 1HB TRP 4 HB2 TRP 4 -9.437 7.011 -3.003 27 2HB TRP 4 HB3 TRP 4 -8.984 8.193 -4.224 28 HD1 TRP 4 HD1 TRP 4 -9.190 7.193 -6.551 29 HE1 TRP 4 HE1 TRP 4 -8.762 4.896 -7.636 30 HE3 TRP 4 HE3 TRP 4 -7.709 4.600 -2.408 31 HZ2 TRP 4 HZ2 TRP 4 -7.894 2.338 -6.837 32 HZ3 TRP 4 HZ3 TRP 4 -7.101 2.234 -2.645 33 HH2 TRP 4 HH2 TRP 4 -7.186 1.125 -4.821 34 H LEU 5 HN LEU 5 -6.650 9.593 -4.339 35 HA LEU 5 HA LEU 5 -4.981 8.263 -6.215 36 1HB LEU 5 HB2 LEU 5 -5.398 11.159 -5.522 37 2HB LEU 5 HB3 LEU 5 -4.233 10.659 -6.732 38 HG LEU 5 HG LEU 5 -6.307 11.370 -7.770 39 1HD1 LEU 5 HD11 LEU 5 -5.044 9.669 -8.910 40 2HD1 LEU 5 HD12 LEU 5 -5.838 8.403 -7.971 41 3HD1 LEU 5 HD13 LEU 5 -6.769 9.365 -9.119 42 1HD2 LEU 5 HD21 LEU 5 -7.867 10.869 -5.971 43 2HD2 LEU 5 HD22 LEU 5 -8.385 10.117 -7.482 44 3HD2 LEU 5 HD23 LEU 5 -7.621 9.142 -6.226 45 H THR 6 HN THR 6 -4.369 10.086 -3.269 46 HA THR 6 HA THR 6 -1.533 9.974 -3.415 47 HB THR 6 HB THR 6 -3.271 10.222 -0.947 48 HG1 THR 6 HG1 THR 6 -3.842 11.897 -2.299 49 1HG2 THR 6 HG21 THR 6 -0.929 9.747 -0.439 50 2HG2 THR 6 HG22 THR 6 -1.337 11.408 -0.007 51 3HG2 THR 6 HG23 THR 6 -0.421 11.080 -1.479 52 H PHE 7 HN PHE 7 -4.028 7.930 -2.049 53 HA PHE 7 HA PHE 7 -2.452 6.083 -0.653 54 1HB PHE 7 HB2 PHE 7 -4.933 6.301 -0.512 55 2HB PHE 7 HB3 PHE 7 -5.059 5.594 -2.116 56 HD1 PHE 7 HD1 PHE 7 -4.746 4.958 1.404 57 HD2 PHE 7 HD2 PHE 7 -4.289 3.240 -2.465 58 HE1 PHE 7 HE1 PHE 7 -4.804 2.706 2.401 59 HE2 PHE 7 HE2 PHE 7 -4.360 0.986 -1.475 60 HZ PHE 7 HZ PHE 7 -4.646 0.730 0.985 61 H GLN 8 HN GLN 8 -3.575 6.145 -4.004 62 HA GLN 8 HA GLN 8 -2.720 3.705 -4.926 63 1HB GLN 8 HB2 GLN 8 -2.935 6.404 -6.181 64 2HB GLN 8 HB3 GLN 8 -2.297 5.053 -7.088 65 1HG GLN 8 HG2 GLN 8 -4.372 3.824 -6.737 66 2HG GLN 8 HG3 GLN 8 -5.009 5.180 -5.798 67 1HE2 GLN 8 HE21 GLN 8 -6.718 5.571 -7.188 68 2HE2 GLN 8 HE22 GLN 8 -6.502 6.236 -8.770 69 H LYS 9 HN LYS 9 -0.893 6.746 -5.204 70 HA LYS 9 HA LYS 9 1.393 5.673 -6.348 71 1HB LYS 9 HB2 LYS 9 1.069 8.084 -4.566 72 2HB LYS 9 HB3 LYS 9 2.512 7.733 -5.511 73 1HG LYS 9 HG2 LYS 9 1.368 8.010 -7.545 74 2HG LYS 9 HG3 LYS 9 -0.209 8.012 -6.750 75 1HD LYS 9 HD2 LYS 9 0.424 10.265 -7.381 76 2HD LYS 9 HD3 LYS 9 0.395 10.106 -5.623 77 1HE LYS 9 HE2 LYS 9 2.821 9.843 -5.601 78 2HE LYS 9 HE3 LYS 9 2.857 9.976 -7.358 79 1HZ LYS 9 HZ1 LYS 9 1.884 12.101 -5.525 80 2HZ LYS 9 HZ2 LYS 9 2.062 12.219 -7.209 81 3HZ LYS 9 HZ3 LYS 9 3.431 12.057 -6.221 82 H LYS 10 HN LYS 10 0.350 5.653 -3.060 83 HA LYS 10 HA LYS 10 3.023 5.087 -2.052 84 1HB LYS 10 HB2 LYS 10 0.395 5.628 -0.691 85 2HB LYS 10 HB3 LYS 10 1.816 5.095 0.194 86 1HG LYS 10 HG2 LYS 10 3.019 7.063 -0.397 87 2HG LYS 10 HG3 LYS 10 1.763 7.556 -1.535 88 1HD LYS 10 HD2 LYS 10 0.205 7.915 0.259 89 2HD LYS 10 HD3 LYS 10 1.338 7.249 1.435 90 1HE LYS 10 HE2 LYS 10 1.919 9.694 -0.223 91 2HE LYS 10 HE3 LYS 10 1.166 9.764 1.369 92 1HZ LYS 10 HZ1 LYS 10 3.871 8.715 0.727 93 2HZ LYS 10 HZ2 LYS 10 3.135 8.590 2.250 94 3HZ LYS 10 HZ3 LYS 10 3.502 10.115 1.608 95 H HIS 11 HN HIS 11 0.213 3.282 -2.955 96 HA HIS 11 HA HIS 11 1.374 0.953 -1.593 97 1HB HIS 11 HB2 HIS 11 -1.505 1.808 -1.334 98 2HB HIS 11 HB3 HIS 11 -0.897 0.230 -0.844 99 HD1 HIS 11 HD1 HIS 11 1.170 0.424 1.009 100 HD2 HIS 11 HD2 HIS 11 -1.452 3.640 0.649 101 HE1 HIS 11 HE1 HIS 11 1.426 1.750 3.129 102 HE2 HIS 11 HE2 HIS 11 -0.226 3.642 2.927 103 H ILE 12 HN ILE 12 0.004 2.150 -4.442 104 HA ILE 12 HA ILE 12 -0.863 -0.540 -5.248 105 HB ILE 12 HB ILE 12 -1.282 2.102 -6.669 106 1HG1 ILE 12 HG12 ILE 12 -2.595 1.939 -4.615 107 2HG1 ILE 12 HG13 ILE 12 -3.640 1.824 -6.023 108 1HG2 ILE 12 HG21 ILE 12 -2.353 -0.642 -7.300 109 2HG2 ILE 12 HG22 ILE 12 -2.809 0.851 -8.117 110 3HG2 ILE 12 HG23 ILE 12 -1.155 0.250 -8.240 111 1HD1 ILE 12 HD11 ILE 12 -4.324 0.255 -4.327 112 2HD1 ILE 12 HD12 ILE 12 -3.717 -0.609 -5.741 113 3HD1 ILE 12 HD13 ILE 12 -2.711 -0.458 -4.299 114 H THR 13 HN THR 13 0.760 -1.725 -6.009 115 HA THR 13 HA THR 13 2.524 -0.476 -8.005 116 HB THR 13 HB THR 13 3.778 -0.976 -5.913 117 HG1 THR 13 HG1 THR 13 5.488 -1.806 -7.024 118 1HG2 THR 13 HG21 THR 13 3.116 -3.851 -6.566 119 2HG2 THR 13 HG22 THR 13 2.556 -2.950 -5.156 120 3HG2 THR 13 HG23 THR 13 4.273 -3.315 -5.345 121 H ASN 14 HN ASN 14 3.243 -1.883 -9.700 122 HA ASN 14 HA ASN 14 1.271 -3.999 -10.251 123 1HB ASN 14 HB2 ASN 14 1.610 -3.538 -12.618 124 2HB ASN 14 HB3 ASN 14 1.193 -2.048 -11.779 125 1HD2 ASN 14 HD21 ASN 14 3.601 -3.766 -13.531 126 2HD2 ASN 14 HD22 ASN 14 4.747 -2.473 -13.661 127 H THR 15 HN THR 15 4.075 -3.962 -8.945 128 HA THR 15 HA THR 15 5.033 -6.334 -10.363 129 HB THR 15 HB THR 15 6.457 -4.636 -11.266 130 HG1 THR 15 HG1 THR 15 8.398 -5.275 -9.537 131 1HG2 THR 15 HG21 THR 15 6.019 -2.868 -9.655 132 2HG2 THR 15 HG22 THR 15 7.755 -3.099 -9.862 133 3HG2 THR 15 HG23 THR 15 6.946 -3.733 -8.430 134 H ARG 16 HN ARG 16 5.794 -7.924 -9.038 135 HA ARG 16 HA ARG 16 5.265 -7.814 -6.265 136 1HB ARG 16 HB2 ARG 16 6.956 -9.742 -7.866 137 2HB ARG 16 HB3 ARG 16 6.592 -9.948 -6.159 138 1HG ARG 16 HG2 ARG 16 4.550 -9.812 -8.361 139 2HG ARG 16 HG3 ARG 16 5.134 -11.290 -7.589 140 1HD ARG 16 HD2 ARG 16 3.887 -9.025 -6.062 141 2HD ARG 16 HD3 ARG 16 2.943 -10.356 -6.726 142 HE ARG 16 HE ARG 16 4.359 -11.832 -5.291 143 1HH1 ARG 16 HH12 ARG 16 4.007 -8.440 -4.475 144 2HH1 ARG 16 HH11 ARG 16 4.145 -8.703 -2.766 145 1HH2 ARG 16 HH22 ARG 16 4.508 -12.185 -3.031 146 2HH2 ARG 16 HH21 ARG 16 4.389 -10.828 -1.951 147 H ASP 17 HN ASP 17 8.212 -7.408 -8.142 148 HA ASP 17 HA ASP 17 9.646 -6.624 -5.710 149 1HB ASP 17 HB2 ASP 17 10.787 -8.181 -7.271 150 2HB ASP 17 HB3 ASP 17 10.684 -6.963 -8.538 151 H VAL 18 HN VAL 18 8.783 -4.637 -5.260 152 HA VAL 18 HA VAL 18 8.782 -2.587 -7.307 153 HB VAL 18 HB VAL 18 6.916 -2.387 -5.870 154 1HG1 VAL 18 HG11 VAL 18 8.819 -2.548 -3.539 155 2HG1 VAL 18 HG12 VAL 18 7.102 -2.158 -3.414 156 3HG1 VAL 18 HG13 VAL 18 7.607 -3.741 -4.010 157 1HG2 VAL 18 HG21 VAL 18 7.867 -0.247 -6.391 158 2HG2 VAL 18 HG22 VAL 18 7.265 -0.207 -4.734 159 3HG2 VAL 18 HG23 VAL 18 8.997 -0.371 -5.041 160 H ASP 19 HN ASP 19 10.237 -0.953 -7.492 161 HA ASP 19 HA ASP 19 12.794 -1.366 -6.334 162 1HB ASP 19 HB2 ASP 19 11.660 0.739 -8.169 163 2HB ASP 19 HB3 ASP 19 13.320 0.761 -7.616 164 H CYS 20 HN CYS 20 12.178 -1.148 -4.109 165 HA CYS 20 HA CYS 20 11.012 1.024 -2.896 166 1HB CYS 20 HB2 CYS 20 13.299 -0.491 -1.651 167 2HB CYS 20 HB3 CYS 20 11.904 0.236 -0.851 168 H ASP 21 HN ASP 21 14.505 0.530 -3.460 169 HA ASP 21 HA ASP 21 15.373 2.784 -2.054 170 1HB ASP 21 HB2 ASP 21 16.757 1.559 -4.441 171 2HB ASP 21 HB3 ASP 21 17.498 2.502 -3.153 172 H ASN 22 HN ASN 22 14.014 2.550 -5.230 173 HA ASN 22 HA ASN 22 14.951 5.233 -5.937 174 1HB ASN 22 HB2 ASN 22 15.118 3.444 -7.639 175 2HB ASN 22 HB3 ASN 22 13.377 3.238 -7.577 176 1HD2 ASN 22 HD21 ASN 22 15.979 5.311 -8.587 177 2HD2 ASN 22 HD22 ASN 22 15.033 6.322 -9.630 178 H ILE 23 HN ILE 23 11.939 3.404 -5.682 179 HA ILE 23 HA ILE 23 10.292 5.649 -6.208 180 HB ILE 23 HB ILE 23 9.642 2.992 -4.929 181 1HG1 ILE 23 HG12 ILE 23 9.253 4.097 -7.719 182 2HG1 ILE 23 HG13 ILE 23 10.389 2.841 -7.244 183 1HG2 ILE 23 HG21 ILE 23 8.014 4.673 -4.222 184 2HG2 ILE 23 HG22 ILE 23 7.738 5.117 -5.907 185 3HG2 ILE 23 HG23 ILE 23 7.292 3.508 -5.334 186 1HD1 ILE 23 HD11 ILE 23 7.387 2.630 -7.163 187 2HD1 ILE 23 HD12 ILE 23 8.453 1.907 -8.368 188 3HD1 ILE 23 HD13 ILE 23 8.525 1.368 -6.691 189 H LEU 24 HN LEU 24 11.590 4.279 -3.221 190 HA LEU 24 HA LEU 24 9.879 5.893 -1.562 191 1HB LEU 24 HB2 LEU 24 12.352 4.377 -0.742 192 2HB LEU 24 HB3 LEU 24 11.128 5.027 0.328 193 HG LEU 24 HG LEU 24 10.839 2.705 -1.575 194 1HD1 LEU 24 HD11 LEU 24 10.441 1.431 0.450 195 2HD1 LEU 24 HD12 LEU 24 12.009 2.238 0.523 196 3HD1 LEU 24 HD13 LEU 24 10.640 2.888 1.425 197 1HD2 LEU 24 HD21 LEU 24 8.780 4.009 -1.581 198 2HD2 LEU 24 HD22 LEU 24 8.572 2.470 -0.742 199 3HD2 LEU 24 HD23 LEU 24 8.742 3.963 0.182 200 H SER 25 HN SER 25 12.765 6.482 -3.248 201 HA SER 25 HA SER 25 13.762 8.390 -1.294 202 1HB SER 25 HB2 SER 25 15.564 8.761 -3.057 203 2HB SER 25 HB3 SER 25 15.485 7.152 -2.345 204 HG SER 25 HG SER 25 15.341 6.492 -4.322 205 H THR 26 HN THR 26 11.289 8.535 -3.284 206 HA THR 26 HA THR 26 11.747 11.186 -4.383 207 HB THR 26 HB THR 26 9.399 11.017 -5.160 208 HG1 THR 26 HG1 THR 26 9.258 8.325 -4.393 209 1HG2 THR 26 HG21 THR 26 11.158 10.152 -6.597 210 2HG2 THR 26 HG22 THR 26 9.722 9.136 -6.726 211 3HG2 THR 26 HG23 THR 26 11.100 8.597 -5.771 212 H ASN 27 HN ASN 27 9.839 12.802 -3.929 213 HA ASN 27 HA ASN 27 9.848 13.420 -1.153 214 1HB ASN 27 HB2 ASN 27 9.630 15.096 -3.003 215 2HB ASN 27 HB3 ASN 27 7.997 14.505 -3.289 216 1HD2 ASN 27 HD21 ASN 27 6.905 16.318 -2.774 217 2HD2 ASN 27 HD22 ASN 27 6.886 17.024 -1.196 218 H LEU 28 HN LEU 28 8.094 11.181 -2.881 219 HA LEU 28 HA LEU 28 5.549 11.401 -1.598 220 1HB LEU 28 HB2 LEU 28 5.961 10.418 -3.858 221 2HB LEU 28 HB3 LEU 28 6.762 9.069 -3.084 222 HG LEU 28 HG LEU 28 4.600 8.552 -1.920 223 1HD1 LEU 28 HD11 LEU 28 2.555 9.510 -2.796 224 2HD1 LEU 28 HD12 LEU 28 3.583 10.779 -2.132 225 3HD1 LEU 28 HD13 LEU 28 3.477 10.551 -3.879 226 1HD2 LEU 28 HD21 LEU 28 4.626 8.541 -4.933 227 2HD2 LEU 28 HD22 LEU 28 5.317 7.313 -3.872 228 3HD2 LEU 28 HD23 LEU 28 3.570 7.556 -3.917 229 H PHE 29 HN PHE 29 8.575 10.078 -0.697 230 HA PHE 29 HA PHE 29 7.366 8.806 1.654 231 1HB PHE 29 HB2 PHE 29 9.478 7.447 -0.035 232 2HB PHE 29 HB3 PHE 29 8.795 6.832 1.464 233 HD1 PHE 29 HD1 PHE 29 8.452 7.060 -2.091 234 HD2 PHE 29 HD2 PHE 29 6.374 6.158 1.507 235 HE1 PHE 29 HE1 PHE 29 6.740 5.866 -3.386 236 HE2 PHE 29 HE2 PHE 29 4.655 4.963 0.216 237 HZ PHE 29 HZ PHE 29 4.842 4.812 -2.234 238 H HIS 30 HN HIS 30 10.031 10.253 0.017 239 HA HIS 30 HA HIS 30 12.099 10.898 0.565 240 1HB HIS 30 HB2 HIS 30 12.244 12.554 2.286 241 2HB HIS 30 HB3 HIS 30 10.734 12.734 1.427 242 HD1 HIS 30 HD1 HIS 30 12.154 12.044 4.789 243 HD2 HIS 30 HD2 HIS 30 8.434 12.225 2.947 244 HE1 HIS 30 HE1 HIS 30 10.476 12.146 6.663 245 HE2 HIS 30 HE2 HIS 30 8.263 12.507 5.514 246 H CYS 31 HN CYS 31 12.127 8.382 0.900 247 HA CYS 31 HA CYS 31 13.181 6.630 1.845 248 1HB CYS 31 HB2 CYS 31 14.898 8.756 3.144 249 2HB CYS 31 HB3 CYS 31 15.323 7.065 2.923 250 H LYS 32 HN LYS 32 11.019 6.543 3.069 251 HA LYS 32 HA LYS 32 11.164 7.156 5.873 252 1HB LYS 32 HB2 LYS 32 8.932 6.388 6.020 253 2HB LYS 32 HB3 LYS 32 9.060 7.250 4.499 254 1HG LYS 32 HG2 LYS 32 9.378 4.964 3.418 255 2HG LYS 32 HG3 LYS 32 8.842 4.296 4.960 256 1HD LYS 32 HD2 LYS 32 7.317 6.151 3.136 257 2HD LYS 32 HD3 LYS 32 6.934 4.473 3.508 258 1HE LYS 32 HE2 LYS 32 6.799 6.844 5.365 259 2HE LYS 32 HE3 LYS 32 5.448 5.896 4.748 260 1HZ LYS 32 HZ1 LYS 32 6.591 3.956 5.944 261 2HZ LYS 32 HZ2 LYS 32 5.759 5.092 6.877 262 3HZ LYS 32 HZ3 LYS 32 7.448 5.155 6.789 263 H ASP 33 HN ASP 33 10.423 5.266 7.412 264 HA ASP 33 HA ASP 33 12.639 3.521 7.573 265 1HB ASP 33 HB2 ASP 33 9.999 3.077 8.972 266 2HB ASP 33 HB3 ASP 33 11.599 2.578 9.505 267 H LYS 34 HN LYS 34 9.232 2.841 6.915 268 HA LYS 34 HA LYS 34 9.980 0.715 5.110 269 1HB LYS 34 HB2 LYS 34 8.404 -0.900 6.257 270 2HB LYS 34 HB3 LYS 34 9.923 -0.597 7.082 271 1HG LYS 34 HG2 LYS 34 8.334 -0.609 8.774 272 2HG LYS 34 HG3 LYS 34 8.629 1.102 8.475 273 1HD LYS 34 HD2 LYS 34 6.596 1.255 7.166 274 2HD LYS 34 HD3 LYS 34 6.321 -0.479 7.343 275 1HE LYS 34 HE2 LYS 34 6.464 1.458 9.649 276 2HE LYS 34 HE3 LYS 34 4.961 0.963 8.873 277 1HZ LYS 34 HZ1 LYS 34 6.883 -0.879 10.201 278 2HZ LYS 34 HZ2 LYS 34 5.393 -1.312 9.513 279 3HZ LYS 34 HZ3 LYS 34 5.437 -0.315 10.885 280 H ASN 35 HN ASN 35 8.199 -0.016 3.811 281 HA ASN 35 HA ASN 35 5.651 1.295 4.064 282 1HB ASN 35 HB2 ASN 35 6.987 3.033 2.905 283 2HB ASN 35 HB3 ASN 35 7.329 1.894 1.612 284 1HD2 ASN 35 HD21 ASN 35 5.689 1.350 0.169 285 2HD2 ASN 35 HD22 ASN 35 4.219 2.258 0.055 286 H THR 36 HN THR 36 4.255 -0.266 3.655 287 HA THR 36 HA THR 36 5.043 -2.572 2.086 288 HB THR 36 HB THR 36 2.441 -2.084 3.551 289 HG1 THR 36 HG1 THR 36 4.481 -3.734 4.580 290 1HG2 THR 36 HG21 THR 36 2.256 -4.530 3.525 291 2HG2 THR 36 HG22 THR 36 3.768 -4.637 2.624 292 3HG2 THR 36 HG23 THR 36 2.355 -3.886 1.885 293 H PHE 37 HN PHE 37 4.667 -2.657 -0.024 294 HA PHE 37 HA PHE 37 2.526 -1.041 -1.196 295 1HB PHE 37 HB2 PHE 37 4.728 -2.667 -2.486 296 2HB PHE 37 HB3 PHE 37 3.511 -1.762 -3.375 297 HD1 PHE 37 HD1 PHE 37 6.393 -1.464 -1.102 298 HD2 PHE 37 HD2 PHE 37 3.716 0.580 -3.715 299 HE1 PHE 37 HE1 PHE 37 7.845 0.517 -1.036 300 HE2 PHE 37 HE2 PHE 37 5.174 2.560 -3.653 301 HZ PHE 37 HZ PHE 37 7.243 2.519 -2.320 302 H ILE 38 HN ILE 38 1.147 -2.033 -2.820 303 HA ILE 38 HA ILE 38 0.456 -4.818 -2.148 304 HB ILE 38 HB ILE 38 -1.392 -2.596 -3.049 305 1HG1 ILE 38 HG12 ILE 38 -1.289 -3.897 -0.326 306 2HG1 ILE 38 HG13 ILE 38 -0.436 -2.404 -0.704 307 1HG2 ILE 38 HG21 ILE 38 -3.208 -4.133 -2.598 308 2HG2 ILE 38 HG22 ILE 38 -2.096 -4.841 -3.770 309 3HG2 ILE 38 HG23 ILE 38 -2.062 -5.377 -2.089 310 1HD1 ILE 38 HD11 ILE 38 -3.410 -2.812 -0.891 311 2HD1 ILE 38 HD12 ILE 38 -2.555 -1.988 0.415 312 3HD1 ILE 38 HD13 ILE 38 -2.539 -1.313 -1.213 313 H TYR 39 HN TYR 39 0.971 -6.121 -3.804 314 HA TYR 39 HA TYR 39 1.094 -5.158 -6.512 315 1HB TYR 39 HB2 TYR 39 2.651 -6.903 -5.867 316 2HB TYR 39 HB3 TYR 39 1.324 -7.957 -5.388 317 HD1 TYR 39 HD1 TYR 39 2.673 -6.157 -8.368 318 HD2 TYR 39 HD2 TYR 39 0.487 -9.499 -6.907 319 HE1 TYR 39 HE1 TYR 39 2.616 -7.105 -10.637 320 HE2 TYR 39 HE2 TYR 39 0.423 -10.451 -9.169 321 HH TYR 39 HH TYR 39 2.336 -9.244 -11.733 322 H SER 40 HN SER 40 -0.878 -4.416 -6.959 323 HA SER 40 HA SER 40 -2.734 -6.216 -8.058 324 1HB SER 40 HB2 SER 40 -3.323 -6.519 -5.631 325 2HB SER 40 HB3 SER 40 -3.690 -4.796 -5.548 326 HG SER 40 HG SER 40 -5.128 -6.879 -6.684 327 H ARG 41 HN ARG 41 -4.854 -4.778 -8.506 328 HA ARG 41 HA ARG 41 -3.738 -2.308 -9.612 329 1HB ARG 41 HB2 ARG 41 -6.141 -3.934 -10.426 330 2HB ARG 41 HB3 ARG 41 -5.688 -2.396 -11.158 331 1HG ARG 41 HG2 ARG 41 -3.579 -3.297 -11.856 332 2HG ARG 41 HG3 ARG 41 -3.929 -4.814 -11.037 333 1HD ARG 41 HD2 ARG 41 -5.824 -5.168 -12.530 334 2HD ARG 41 HD3 ARG 41 -5.425 -3.668 -13.372 335 HE ARG 41 HE ARG 41 -3.197 -4.757 -13.791 336 1HH1 ARG 41 HH12 ARG 41 -6.194 -6.587 -13.553 337 2HH1 ARG 41 HH11 ARG 41 -5.561 -7.963 -14.401 338 1HH2 ARG 41 HH22 ARG 41 -2.370 -6.592 -14.895 339 2HH2 ARG 41 HH21 ARG 41 -3.406 -7.971 -15.160 340 HA PRO 42 HA PRO 42 -5.993 0.279 -7.050 341 1HB PRO 42 HB2 PRO 42 -6.835 2.248 -8.777 342 2HB PRO 42 HB3 PRO 42 -5.197 2.113 -8.137 343 1HG PRO 42 HG2 PRO 42 -6.243 1.410 -10.812 344 2HG PRO 42 HG3 PRO 42 -4.634 1.960 -10.342 345 1HD PRO 42 HD2 PRO 42 -5.315 -0.648 -10.954 346 2HD PRO 42 HD3 PRO 42 -3.889 -0.171 -10.023 347 H GLU 43 HN GLU 43 -7.633 -0.945 -9.873 348 HA GLU 43 HA GLU 43 -10.214 0.001 -9.140 349 1HB GLU 43 HB2 GLU 43 -9.273 -2.088 -11.082 350 2HB GLU 43 HB3 GLU 43 -10.972 -1.753 -10.818 351 1HG GLU 43 HG2 GLU 43 -8.880 0.127 -11.867 352 2HG GLU 43 HG3 GLU 43 -10.261 -0.536 -12.736 353 HA PRO 44 HA PRO 44 -10.988 -4.528 -7.528 354 1HB PRO 44 HB2 PRO 44 -8.759 -6.029 -7.027 355 2HB PRO 44 HB3 PRO 44 -9.672 -6.103 -8.535 356 1HG PRO 44 HG2 PRO 44 -7.163 -4.596 -7.909 357 2HG PRO 44 HG3 PRO 44 -7.571 -5.544 -9.353 358 1HD PRO 44 HD2 PRO 44 -7.735 -2.865 -9.348 359 2HD PRO 44 HD3 PRO 44 -8.895 -3.861 -10.230 360 H VAL 45 HN VAL 45 -8.295 -2.568 -6.464 361 HA VAL 45 HA VAL 45 -8.566 -3.452 -3.708 362 HB VAL 45 HB VAL 45 -6.822 -1.291 -4.918 363 1HG1 VAL 45 HG11 VAL 45 -6.869 -2.342 -2.093 364 2HG1 VAL 45 HG12 VAL 45 -5.668 -1.233 -2.754 365 3HG1 VAL 45 HG13 VAL 45 -7.353 -0.728 -2.611 366 1HG2 VAL 45 HG21 VAL 45 -6.148 -4.036 -3.870 367 2HG2 VAL 45 HG22 VAL 45 -6.180 -3.551 -5.566 368 3HG2 VAL 45 HG23 VAL 45 -4.991 -2.848 -4.470 369 H LYS 46 HN LYS 46 -9.511 -0.757 -5.737 370 HA LYS 46 HA LYS 46 -10.594 0.843 -3.645 371 1HB LYS 46 HB2 LYS 46 -10.015 1.585 -6.002 372 2HB LYS 46 HB3 LYS 46 -11.485 0.782 -6.526 373 1HG LYS 46 HG2 LYS 46 -12.783 2.257 -5.037 374 2HG LYS 46 HG3 LYS 46 -11.288 3.099 -4.616 375 1HD LYS 46 HD2 LYS 46 -10.961 3.535 -7.058 376 2HD LYS 46 HD3 LYS 46 -12.586 2.901 -7.325 377 1HE LYS 46 HE2 LYS 46 -13.424 4.630 -5.727 378 2HE LYS 46 HE3 LYS 46 -11.802 5.318 -5.711 379 1HZ LYS 46 HZ1 LYS 46 -12.010 5.542 -8.171 380 2HZ LYS 46 HZ2 LYS 46 -13.085 6.514 -7.288 381 3HZ LYS 46 HZ3 LYS 46 -13.642 5.097 -8.029 382 H ALA 47 HN ALA 47 -11.682 -1.845 -5.542 383 HA ALA 47 HA ALA 47 -14.454 -1.669 -5.032 384 1HB ALA 47 HB1 ALA 47 -14.559 -3.959 -5.848 385 2HB ALA 47 HB2 ALA 47 -13.520 -2.977 -6.878 386 3HB ALA 47 HB3 ALA 47 -12.805 -4.100 -5.722 387 H ILE 48 HN ILE 48 -11.826 -2.605 -3.060 388 HA ILE 48 HA ILE 48 -13.145 -4.359 -1.278 389 HB ILE 48 HB ILE 48 -10.901 -2.427 -0.635 390 1HG1 ILE 48 HG12 ILE 48 -10.747 -5.326 -1.499 391 2HG1 ILE 48 HG13 ILE 48 -10.432 -3.958 -2.562 392 1HG2 ILE 48 HG21 ILE 48 -11.997 -3.329 1.348 393 2HG2 ILE 48 HG22 ILE 48 -11.791 -4.969 0.733 394 3HG2 ILE 48 HG23 ILE 48 -10.378 -4.006 1.168 395 1HD1 ILE 48 HD11 ILE 48 -8.562 -3.298 -1.135 396 2HD1 ILE 48 HD12 ILE 48 -8.878 -4.685 -0.095 397 3HD1 ILE 48 HD13 ILE 48 -8.370 -4.932 -1.764 398 H CYS 49 HN CYS 49 -13.108 -0.923 -1.715 399 HA CYS 49 HA CYS 49 -14.583 -0.492 0.771 400 1HB CYS 49 HB2 CYS 49 -13.279 1.442 -1.151 401 2HB CYS 49 HB3 CYS 49 -14.107 1.905 0.331 402 H LYS 50 HN LYS 50 -15.525 -1.579 -1.969 403 HA LYS 50 HA LYS 50 -17.379 0.194 -3.083 404 1HB LYS 50 HB2 LYS 50 -16.716 -1.941 -4.123 405 2HB LYS 50 HB3 LYS 50 -17.572 -2.814 -2.859 406 1HG LYS 50 HG2 LYS 50 -19.683 -1.811 -3.607 407 2HG LYS 50 HG3 LYS 50 -18.816 -0.970 -4.893 408 1HD LYS 50 HD2 LYS 50 -18.966 -3.968 -4.560 409 2HD LYS 50 HD3 LYS 50 -19.927 -3.019 -5.695 410 1HE LYS 50 HE2 LYS 50 -17.839 -2.254 -6.768 411 2HE LYS 50 HE3 LYS 50 -16.920 -3.281 -5.670 412 1HZ LYS 50 HZ1 LYS 50 -18.045 -5.214 -6.594 413 2HZ LYS 50 HZ2 LYS 50 -17.249 -4.342 -7.811 414 3HZ LYS 50 HZ3 LYS 50 -18.929 -4.219 -7.646 415 H GLY 51 HN GLY 51 -19.036 1.150 -2.174 416 1HA GLY 51 HA1 GLY 51 -21.157 1.226 -1.210 417 2HA GLY 51 HA2 GLY 51 -20.890 -0.374 -0.540 418 H ILE 52 HN ILE 52 -18.267 1.686 0.057 419 HA ILE 52 HA ILE 52 -19.256 2.106 2.801 420 HB ILE 52 HB ILE 52 -16.353 1.963 1.998 421 1HG1 ILE 52 HG12 ILE 52 -17.447 -0.163 1.407 422 2HG1 ILE 52 HG13 ILE 52 -16.340 -0.361 2.755 423 1HG2 ILE 52 HG21 ILE 52 -16.825 3.055 4.116 424 2HG2 ILE 52 HG22 ILE 52 -17.760 1.660 4.650 425 3HG2 ILE 52 HG23 ILE 52 -16.023 1.510 4.389 426 1HD1 ILE 52 HD11 ILE 52 -18.233 -0.334 4.301 427 2HD1 ILE 52 HD12 ILE 52 -19.333 -0.152 2.933 428 3HD1 ILE 52 HD13 ILE 52 -18.375 -1.621 3.104 429 H ILE 53 HN ILE 53 -20.063 4.162 2.599 430 HA ILE 53 HA ILE 53 -18.526 6.184 1.194 431 HB ILE 53 HB ILE 53 -21.165 6.392 2.625 432 1HG1 ILE 53 HG12 ILE 53 -21.535 4.955 0.820 433 2HG1 ILE 53 HG13 ILE 53 -22.011 6.531 0.227 434 1HG2 ILE 53 HG21 ILE 53 -21.442 8.481 1.406 435 2HG2 ILE 53 HG22 ILE 53 -20.047 8.524 2.486 436 3HG2 ILE 53 HG23 ILE 53 -19.813 8.308 0.752 437 1HD1 ILE 53 HD11 ILE 53 -19.794 6.727 -0.857 438 2HD1 ILE 53 HD12 ILE 53 -19.465 5.061 -0.373 439 3HD1 ILE 53 HD13 ILE 53 -20.793 5.415 -1.484 440 H ALA 54 HN ALA 54 -19.879 5.723 4.436 441 HA ALA 54 HA ALA 54 -18.551 7.907 5.639 442 1HB ALA 54 HB1 ALA 54 -20.498 6.827 6.652 443 2HB ALA 54 HB2 ALA 54 -19.553 5.361 6.916 444 3HB ALA 54 HB3 ALA 54 -19.130 6.848 7.763 445 H SER 55 HN SER 55 -16.596 8.109 6.568 446 HA SER 55 HA SER 55 -14.403 6.567 5.900 447 1HB SER 55 HB2 SER 55 -14.489 8.905 6.939 448 2HB SER 55 HB3 SER 55 -14.638 8.101 8.499 449 HG SER 55 HG SER 55 -12.456 8.307 6.777 450 H LYS 56 HN LYS 56 -14.364 4.399 6.246 451 HA LYS 56 HA LYS 56 -14.706 3.426 9.001 452 1HB LYS 56 HB2 LYS 56 -16.835 3.058 7.875 453 2HB LYS 56 HB3 LYS 56 -16.018 2.270 6.535 454 1HG LYS 56 HG2 LYS 56 -15.201 0.575 8.264 455 2HG LYS 56 HG3 LYS 56 -16.429 1.266 9.327 456 1HD LYS 56 HD2 LYS 56 -18.146 0.781 7.641 457 2HD LYS 56 HD3 LYS 56 -16.914 0.065 6.601 458 1HE LYS 56 HE2 LYS 56 -17.830 -0.917 9.298 459 2HE LYS 56 HE3 LYS 56 -18.073 -1.694 7.736 460 1HZ LYS 56 HZ1 LYS 56 -16.309 -2.802 8.834 461 2HZ LYS 56 HZ2 LYS 56 -15.513 -1.351 9.194 462 3HZ LYS 56 HZ3 LYS 56 -15.608 -1.890 7.591 463 H ASN 57 HN ASN 57 -13.178 2.014 9.594 464 HA ASN 57 HA ASN 57 -11.140 1.135 7.790 465 1HB ASN 57 HB2 ASN 57 -11.815 0.475 10.657 466 2HB ASN 57 HB3 ASN 57 -10.495 -0.321 9.809 467 1HD2 ASN 57 HD21 ASN 57 -9.226 0.615 11.549 468 2HD2 ASN 57 HD22 ASN 57 -8.653 2.244 11.391 469 H VAL 58 HN VAL 58 -11.142 -0.623 6.526 470 HA VAL 58 HA VAL 58 -13.028 -2.797 7.158 471 HB VAL 58 HB VAL 58 -12.482 -1.618 4.426 472 1HG1 VAL 58 HG11 VAL 58 -14.142 -4.022 5.167 473 2HG1 VAL 58 HG12 VAL 58 -14.035 -3.297 3.562 474 3HG1 VAL 58 HG13 VAL 58 -12.610 -4.046 4.291 475 1HG2 VAL 58 HG21 VAL 58 -14.903 -1.168 4.424 476 2HG2 VAL 58 HG22 VAL 58 -15.005 -1.775 6.078 477 3HG2 VAL 58 HG23 VAL 58 -14.067 -0.318 5.726 478 H LEU 59 HN LEU 59 -11.905 -4.567 7.587 479 HA LEU 59 HA LEU 59 -9.253 -4.999 6.544 480 1HB LEU 59 HB2 LEU 59 -10.086 -5.598 8.873 481 2HB LEU 59 HB3 LEU 59 -10.975 -6.906 8.129 482 HG LEU 59 HG LEU 59 -8.672 -7.357 9.232 483 1HD1 LEU 59 HD11 LEU 59 -8.230 -9.161 7.674 484 2HD1 LEU 59 HD12 LEU 59 -9.949 -9.024 8.042 485 3HD1 LEU 59 HD13 LEU 59 -9.324 -8.421 6.506 486 1HD2 LEU 59 HD21 LEU 59 -7.445 -5.614 8.076 487 2HD2 LEU 59 HD22 LEU 59 -6.792 -7.210 7.699 488 3HD2 LEU 59 HD23 LEU 59 -7.811 -6.376 6.524 489 H THR 60 HN THR 60 -8.683 -6.410 4.930 490 HA THR 60 HA THR 60 -10.723 -6.880 2.994 491 HB THR 60 HB THR 60 -8.871 -7.897 1.638 492 HG1 THR 60 HG1 THR 60 -7.184 -8.513 2.733 493 1HG2 THR 60 HG21 THR 60 -7.676 -5.786 1.306 494 2HG2 THR 60 HG22 THR 60 -8.332 -5.174 2.825 495 3HG2 THR 60 HG23 THR 60 -9.411 -5.522 1.474 496 H THR 61 HN THR 61 -11.287 -8.807 1.998 497 HA THR 61 HA THR 61 -11.823 -10.905 3.865 498 HB THR 61 HB THR 61 -12.925 -11.894 1.749 499 HG1 THR 61 HG1 THR 61 -12.441 -10.828 -0.023 500 1HG2 THR 61 HG21 THR 61 -14.811 -10.300 1.923 501 2HG2 THR 61 HG22 THR 61 -13.772 -9.207 2.841 502 3HG2 THR 61 HG23 THR 61 -14.197 -10.787 3.502 503 H SER 62 HN SER 62 -9.367 -10.301 1.619 504 HA SER 62 HA SER 62 -8.476 -13.085 1.672 505 1HB SER 62 HB2 SER 62 -8.605 -11.404 -0.851 506 2HB SER 62 HB3 SER 62 -8.002 -13.056 -0.731 507 HG SER 62 HG SER 62 -10.088 -13.738 -0.195 508 H GLU 63 HN GLU 63 -6.188 -13.326 1.145 509 HA GLU 63 HA GLU 63 -4.636 -11.027 2.004 510 1HB GLU 63 HB2 GLU 63 -3.635 -13.767 1.210 511 2HB GLU 63 HB3 GLU 63 -2.726 -12.516 2.026 512 1HG GLU 63 HG2 GLU 63 -4.108 -12.697 3.983 513 2HG GLU 63 HG3 GLU 63 -5.143 -13.867 3.180 514 H PHE 64 HN PHE 64 -3.479 -9.762 0.740 515 HA PHE 64 HA PHE 64 -3.506 -10.331 -2.136 516 1HB PHE 64 HB2 PHE 64 -3.226 -7.765 -0.586 517 2HB PHE 64 HB3 PHE 64 -2.873 -7.865 -2.304 518 HD1 PHE 64 HD1 PHE 64 -4.582 -7.760 -3.893 519 HD2 PHE 64 HD2 PHE 64 -5.558 -8.353 0.206 520 HE1 PHE 64 HE1 PHE 64 -6.962 -7.421 -4.416 521 HE2 PHE 64 HE2 PHE 64 -7.940 -8.014 -0.306 522 HZ PHE 64 HZ PHE 64 -8.647 -7.548 -2.621 523 H TYR 65 HN TYR 65 -1.557 -9.507 -3.318 524 HA TYR 65 HA TYR 65 0.764 -10.700 -2.076 525 1HB TYR 65 HB2 TYR 65 0.500 -9.432 -4.810 526 2HB TYR 65 HB3 TYR 65 1.812 -10.469 -4.258 527 HD1 TYR 65 HD1 TYR 65 -1.238 -10.373 -6.007 528 HD2 TYR 65 HD2 TYR 65 1.068 -12.853 -3.434 529 HE1 TYR 65 HE1 TYR 65 -2.482 -12.343 -6.801 530 HE2 TYR 65 HE2 TYR 65 -0.165 -14.828 -4.217 531 HH TYR 65 HH TYR 65 -2.180 -14.765 -6.970 532 H LEU 66 HN LEU 66 1.666 -9.422 -0.589 533 HA LEU 66 HA LEU 66 1.800 -6.549 -1.076 534 1HB LEU 66 HB2 LEU 66 2.449 -8.089 1.433 535 2HB LEU 66 HB3 LEU 66 2.327 -6.345 1.285 536 HG LEU 66 HG LEU 66 0.073 -8.329 1.007 537 1HD1 LEU 66 HD11 LEU 66 0.788 -7.956 3.304 538 2HD1 LEU 66 HD12 LEU 66 0.633 -6.213 3.074 539 3HD1 LEU 66 HD13 LEU 66 -0.799 -7.240 3.007 540 1HD2 LEU 66 HD21 LEU 66 -1.385 -6.373 0.796 541 2HD2 LEU 66 HD22 LEU 66 0.034 -5.325 0.748 542 3HD2 LEU 66 HD23 LEU 66 -0.248 -6.490 -0.548 543 H SER 67 HN SER 67 3.727 -5.384 -0.854 544 HA SER 67 HA SER 67 6.195 -6.984 -0.797 545 1HB SER 67 HB2 SER 67 5.706 -4.512 -2.484 546 2HB SER 67 HB3 SER 67 7.192 -5.462 -2.428 547 HG SER 67 HG SER 67 6.336 -6.635 -3.934 548 H ASP 68 HN ASP 68 7.129 -6.546 1.067 549 HA ASP 68 HA ASP 68 6.656 -3.991 2.382 550 1HB ASP 68 HB2 ASP 68 7.959 -6.554 3.307 551 2HB ASP 68 HB3 ASP 68 7.944 -5.088 4.277 552 H CYS 69 HN CYS 69 7.969 -2.394 1.707 553 HA CYS 69 HA CYS 69 10.796 -2.954 1.277 554 1HB CYS 69 HB2 CYS 69 9.201 -0.387 1.096 555 2HB CYS 69 HB3 CYS 69 10.915 -0.523 0.721 556 H ASN 70 HN ASN 70 12.142 -2.959 2.950 557 HA ASN 70 HA ASN 70 11.538 -1.204 5.250 558 1HB ASN 70 HB2 ASN 70 12.804 -3.952 5.423 559 2HB ASN 70 HB3 ASN 70 12.366 -2.905 6.764 560 1HD2 ASN 70 HD21 ASN 70 9.786 -2.172 5.581 561 2HD2 ASN 70 HD22 ASN 70 8.766 -3.556 5.773 562 H VAL 71 HN VAL 71 13.167 0.066 5.888 563 HA VAL 71 HA VAL 71 15.555 0.196 4.352 564 HB VAL 71 HB VAL 71 14.396 2.125 5.538 565 1HG1 VAL 71 HG11 VAL 71 15.139 2.617 7.829 566 2HG1 VAL 71 HG12 VAL 71 14.128 1.173 7.732 567 3HG1 VAL 71 HG13 VAL 71 15.875 1.017 7.913 568 1HG2 VAL 71 HG21 VAL 71 16.491 3.329 5.925 569 2HG2 VAL 71 HG22 VAL 71 17.369 1.800 5.926 570 3HG2 VAL 71 HG23 VAL 71 16.566 2.355 4.457 571 H THR 72 HN THR 72 17.612 -0.366 4.838 572 HA THR 72 HA THR 72 17.842 -2.409 6.931 573 HB THR 72 HB THR 72 19.864 -3.148 5.629 574 HG1 THR 72 HG1 THR 72 18.824 -1.295 3.714 575 1HG2 THR 72 HG21 THR 72 18.586 -4.250 3.861 576 2HG2 THR 72 HG22 THR 72 17.252 -3.126 4.113 577 3HG2 THR 72 HG23 THR 72 17.695 -4.267 5.381 578 H SER 73 HN SER 73 20.829 -2.180 6.408 579 HA SER 73 HA SER 73 21.296 -0.481 8.686 580 1HB SER 73 HB2 SER 73 23.313 -2.067 7.137 581 2HB SER 73 HB3 SER 73 23.442 -1.506 8.800 582 HG SER 73 HG SER 73 22.718 -3.831 8.214 583 H ARG 74 HN ARG 74 21.346 -0.157 5.345 584 HA ARG 74 HA ARG 74 23.196 2.105 5.474 585 1HB ARG 74 HB2 ARG 74 22.176 0.439 3.194 586 2HB ARG 74 HB3 ARG 74 22.887 2.022 2.908 587 1HG ARG 74 HG2 ARG 74 24.969 1.317 3.887 588 2HG ARG 74 HG3 ARG 74 24.265 -0.234 4.346 589 1HD ARG 74 HD2 ARG 74 24.484 0.730 1.502 590 2HD ARG 74 HD3 ARG 74 25.694 -0.285 2.287 591 HE ARG 74 HE ARG 74 23.208 -1.520 2.595 592 1HH1 ARG 74 HH12 ARG 74 25.459 -0.700 0.029 593 2HH1 ARG 74 HH11 ARG 74 24.972 -2.026 -0.990 594 1HH2 ARG 74 HH22 ARG 74 22.575 -3.268 1.248 595 2HH2 ARG 74 HH21 ARG 74 23.334 -3.463 -0.305 596 HA PRO 75 HA PRO 75 19.887 5.014 5.638 597 1HB PRO 75 HB2 PRO 75 21.712 6.670 3.981 598 2HB PRO 75 HB3 PRO 75 20.916 7.051 5.510 599 1HG PRO 75 HG2 PRO 75 23.518 6.489 5.439 600 2HG PRO 75 HG3 PRO 75 22.497 5.905 6.769 601 1HD PRO 75 HD2 PRO 75 23.566 4.423 4.402 602 2HD PRO 75 HD3 PRO 75 23.366 3.877 6.080 603 H CYS 76 HN CYS 76 18.129 5.042 4.476 604 HA CYS 76 HA CYS 76 16.656 4.881 2.762 605 1HB CYS 76 HB2 CYS 76 17.579 7.170 2.411 606 2HB CYS 76 HB3 CYS 76 18.712 6.504 1.250 607 H LYS 77 HN LYS 77 18.629 2.764 3.004 608 HA LYS 77 HA LYS 77 18.315 1.690 0.286 609 1HB LYS 77 HB2 LYS 77 20.589 1.342 2.226 610 2HB LYS 77 HB3 LYS 77 20.274 0.147 0.972 611 1HG LYS 77 HG2 LYS 77 20.677 3.074 0.406 612 2HG LYS 77 HG3 LYS 77 21.979 1.881 0.383 613 1HD LYS 77 HD2 LYS 77 21.120 0.787 -1.474 614 2HD LYS 77 HD3 LYS 77 19.492 1.409 -1.208 615 1HE LYS 77 HE2 LYS 77 21.825 3.132 -2.016 616 2HE LYS 77 HE3 LYS 77 20.716 2.393 -3.169 617 1HZ LYS 77 HZ1 LYS 77 19.516 4.234 -2.909 618 2HZ LYS 77 HZ2 LYS 77 20.354 4.713 -1.514 619 3HZ LYS 77 HZ3 LYS 77 19.064 3.623 -1.394 620 H TYR 78 HN TYR 78 17.105 -0.086 0.137 621 HA TYR 78 HA TYR 78 16.020 -1.055 2.707 622 1HB TYR 78 HB2 TYR 78 14.505 -0.870 0.106 623 2HB TYR 78 HB3 TYR 78 13.853 -1.104 1.729 624 HD1 TYR 78 HD1 TYR 78 13.707 0.774 3.287 625 HD2 TYR 78 HD2 TYR 78 15.155 1.290 -0.676 626 HE1 TYR 78 HE1 TYR 78 13.456 3.209 3.515 627 HE2 TYR 78 HE2 TYR 78 14.905 3.717 -0.460 628 HH TYR 78 HH TYR 78 13.825 5.330 0.790 629 H LYS 79 HN LYS 79 14.888 -3.087 2.601 630 HA LYS 79 HA LYS 79 16.009 -4.991 0.650 631 1HB LYS 79 HB2 LYS 79 16.658 -5.501 2.974 632 2HB LYS 79 HB3 LYS 79 14.968 -5.489 3.454 633 1HG LYS 79 HG2 LYS 79 14.704 -7.347 1.671 634 2HG LYS 79 HG3 LYS 79 16.453 -7.500 1.825 635 1HD LYS 79 HD2 LYS 79 14.444 -7.734 4.064 636 2HD LYS 79 HD3 LYS 79 15.295 -9.072 3.293 637 1HE LYS 79 HE2 LYS 79 17.426 -8.175 4.079 638 2HE LYS 79 HE3 LYS 79 16.583 -6.821 4.834 639 1HZ LYS 79 HZ1 LYS 79 15.438 -8.366 6.283 640 2HZ LYS 79 HZ2 LYS 79 17.115 -8.572 6.431 641 3HZ LYS 79 HZ3 LYS 79 16.203 -9.685 5.534 642 H LEU 80 HN LEU 80 14.542 -5.727 -0.778 643 HA LEU 80 HA LEU 80 11.754 -5.132 -0.395 644 1HB LEU 80 HB2 LEU 80 12.929 -5.059 -2.617 645 2HB LEU 80 HB3 LEU 80 13.007 -6.806 -2.568 646 HG LEU 80 HG LEU 80 11.136 -5.663 -3.932 647 1HD1 LEU 80 HD11 LEU 80 9.584 -7.486 -3.474 648 2HD1 LEU 80 HD12 LEU 80 11.250 -8.057 -3.576 649 3HD1 LEU 80 HD13 LEU 80 10.480 -7.869 -2.002 650 1HD2 LEU 80 HD21 LEU 80 9.085 -5.236 -2.676 651 2HD2 LEU 80 HD22 LEU 80 9.973 -5.478 -1.172 652 3HD2 LEU 80 HD23 LEU 80 10.381 -4.127 -2.230 653 H LYS 81 HN LYS 81 10.124 -6.522 0.007 654 HA LYS 81 HA LYS 81 10.784 -9.298 0.679 655 1HB LYS 81 HB2 LYS 81 10.895 -8.163 2.793 656 2HB LYS 81 HB3 LYS 81 9.403 -7.294 2.467 657 1HG LYS 81 HG2 LYS 81 8.325 -9.635 2.375 658 2HG LYS 81 HG3 LYS 81 9.785 -10.164 3.212 659 1HD LYS 81 HD2 LYS 81 9.350 -8.771 5.062 660 2HD LYS 81 HD3 LYS 81 8.124 -7.854 4.183 661 1HE LYS 81 HE2 LYS 81 6.821 -10.030 4.041 662 2HE LYS 81 HE3 LYS 81 7.957 -10.668 5.231 663 1HZ LYS 81 HZ1 LYS 81 7.304 -8.927 6.760 664 2HZ LYS 81 HZ2 LYS 81 5.937 -9.800 6.259 665 3HZ LYS 81 HZ3 LYS 81 6.249 -8.268 5.604 666 H LYS 82 HN LYS 82 9.512 -10.456 -0.624 667 HA LYS 82 HA LYS 82 6.900 -9.459 -1.396 668 1HB LYS 82 HB2 LYS 82 8.209 -12.097 -2.081 669 2HB LYS 82 HB3 LYS 82 6.840 -11.347 -2.899 670 1HG LYS 82 HG2 LYS 82 8.254 -9.520 -3.638 671 2HG LYS 82 HG3 LYS 82 9.627 -10.218 -2.781 672 1HD LYS 82 HD2 LYS 82 9.418 -12.240 -4.205 673 2HD LYS 82 HD3 LYS 82 8.152 -11.416 -5.113 674 1HE LYS 82 HE2 LYS 82 9.744 -9.631 -5.680 675 2HE LYS 82 HE3 LYS 82 11.004 -10.493 -4.799 676 1HZ LYS 82 HZ1 LYS 82 10.508 -12.402 -6.368 677 2HZ LYS 82 HZ2 LYS 82 11.318 -11.064 -7.022 678 3HZ LYS 82 HZ3 LYS 82 9.661 -11.275 -7.312 679 H SER 83 HN SER 83 5.117 -9.883 -0.285 680 HA SER 83 HA SER 83 4.994 -12.321 1.340 681 1HB SER 83 HB2 SER 83 3.928 -10.887 3.151 682 2HB SER 83 HB3 SER 83 5.658 -10.637 2.908 683 HG SER 83 HG SER 83 4.968 -8.607 2.835 684 H THR 84 HN THR 84 2.720 -12.631 2.207 685 HA THR 84 HA THR 84 0.640 -11.484 0.461 686 HB THR 84 HB THR 84 0.454 -14.360 1.296 687 HG1 THR 84 HG1 THR 84 2.523 -13.781 0.070 688 1HG2 THR 84 HG21 THR 84 -0.871 -14.524 -0.769 689 2HG2 THR 84 HG22 THR 84 -0.549 -12.823 -1.107 690 3HG2 THR 84 HG23 THR 84 -1.503 -13.276 0.307 691 H ASN 85 HN ASN 85 -0.840 -10.531 1.725 692 HA ASN 85 HA ASN 85 -1.922 -11.833 4.030 693 1HB ASN 85 HB2 ASN 85 0.325 -10.556 4.719 694 2HB ASN 85 HB3 ASN 85 -0.784 -9.200 4.732 695 1HD2 ASN 85 HD21 ASN 85 0.582 -10.243 6.972 696 2HD2 ASN 85 HD22 ASN 85 -0.608 -10.825 8.085 697 H LYS 86 HN LYS 86 -3.674 -10.635 4.975 698 HA LYS 86 HA LYS 86 -5.095 -8.979 3.111 699 1HB LYS 86 HB2 LYS 86 -5.780 -9.464 6.012 700 2HB LYS 86 HB3 LYS 86 -6.876 -9.087 4.685 701 1HG LYS 86 HG2 LYS 86 -6.435 -11.254 3.681 702 2HG LYS 86 HG3 LYS 86 -5.303 -11.632 4.980 703 1HD LYS 86 HD2 LYS 86 -7.199 -11.351 6.585 704 2HD LYS 86 HD3 LYS 86 -8.264 -11.216 5.193 705 1HE LYS 86 HE2 LYS 86 -7.748 -13.416 4.466 706 2HE LYS 86 HE3 LYS 86 -6.433 -13.558 5.631 707 1HZ LYS 86 HZ1 LYS 86 -8.287 -14.769 6.440 708 2HZ LYS 86 HZ2 LYS 86 -9.340 -13.462 6.214 709 3HZ LYS 86 HZ3 LYS 86 -8.134 -13.383 7.405 710 H PHE 87 HN PHE 87 -6.099 -6.873 4.138 711 HA PHE 87 HA PHE 87 -4.443 -5.576 6.093 712 1HB PHE 87 HB2 PHE 87 -3.882 -3.635 4.593 713 2HB PHE 87 HB3 PHE 87 -3.008 -5.122 4.252 714 HD1 PHE 87 HD1 PHE 87 -3.251 -6.240 2.166 715 HD2 PHE 87 HD2 PHE 87 -5.684 -2.879 3.092 716 HE1 PHE 87 HE1 PHE 87 -3.979 -6.127 -0.180 717 HE2 PHE 87 HE2 PHE 87 -6.411 -2.761 0.747 718 HZ PHE 87 HZ PHE 87 -5.521 -4.371 -0.907 719 H CYS 88 HN CYS 88 -5.389 -3.744 6.996 720 HA CYS 88 HA CYS 88 -8.223 -3.445 6.314 721 1HB CYS 88 HB2 CYS 88 -7.176 -3.731 8.771 722 2HB CYS 88 HB3 CYS 88 -6.960 -1.990 8.603 723 H VAL 89 HN VAL 89 -8.725 -1.893 4.931 724 HA VAL 89 HA VAL 89 -7.009 0.485 4.786 725 HB VAL 89 HB VAL 89 -8.341 0.959 2.661 726 1HG1 VAL 89 HG11 VAL 89 -6.611 -1.506 2.754 727 2HG1 VAL 89 HG12 VAL 89 -6.977 -0.558 1.313 728 3HG1 VAL 89 HG13 VAL 89 -6.042 0.158 2.626 729 1HG2 VAL 89 HG21 VAL 89 -10.213 -0.553 3.065 730 2HG2 VAL 89 HG22 VAL 89 -9.389 -0.981 1.566 731 3HG2 VAL 89 HG23 VAL 89 -9.123 -1.937 3.024 732 H THR 90 HN THR 90 -7.835 2.521 5.116 733 HA THR 90 HA THR 90 -10.403 2.666 6.420 734 HB THR 90 HB THR 90 -8.530 4.921 5.656 735 HG1 THR 90 HG1 THR 90 -8.857 3.491 8.112 736 1HG2 THR 90 HG21 THR 90 -10.819 5.682 6.010 737 2HG2 THR 90 HG22 THR 90 -9.790 6.203 7.344 738 3HG2 THR 90 HG23 THR 90 -10.881 4.833 7.554 739 H CYS 91 HN CYS 91 -12.142 2.569 5.168 740 HA CYS 91 HA CYS 91 -12.007 3.460 2.405 741 1HB CYS 91 HB2 CYS 91 -14.137 1.962 3.939 742 2HB CYS 91 HB3 CYS 91 -14.210 2.334 2.218 743 H GLU 92 HN GLU 92 -12.727 5.341 1.763 744 HA GLU 92 HA GLU 92 -14.899 6.651 3.231 745 1HB GLU 92 HB2 GLU 92 -12.392 7.400 3.758 746 2HB GLU 92 HB3 GLU 92 -12.618 8.311 2.282 747 1HG GLU 92 HG2 GLU 92 -14.447 9.520 3.208 748 2HG GLU 92 HG3 GLU 92 -14.457 8.496 4.646 749 H ASN 93 HN ASN 93 -16.431 7.186 1.813 750 HA ASN 93 HA ASN 93 -17.521 7.710 -0.123 751 1HB ASN 93 HB2 ASN 93 -14.823 8.899 -0.787 752 2HB ASN 93 HB3 ASN 93 -16.193 9.001 -1.881 753 1HD2 ASN 93 HD21 ASN 93 -16.421 9.201 1.622 754 2HD2 ASN 93 HD22 ASN 93 -16.906 10.863 1.673 755 H GLN 94 HN GLN 94 -16.326 5.139 0.217 756 HA GLN 94 HA GLN 94 -16.106 3.191 -0.900 757 1HB GLN 94 HB2 GLN 94 -16.966 4.875 -3.241 758 2HB GLN 94 HB3 GLN 94 -16.642 3.151 -3.374 759 1HG GLN 94 HG2 GLN 94 -18.343 2.776 -1.596 760 2HG GLN 94 HG3 GLN 94 -18.733 4.489 -1.692 761 1HE2 GLN 94 HE21 GLN 94 -17.819 2.677 -4.500 762 2HE2 GLN 94 HE22 GLN 94 -19.382 2.658 -5.241 763 H ALA 95 HN ALA 95 -13.891 5.206 -0.665 764 HA ALA 95 HA ALA 95 -12.070 3.692 -2.388 765 1HB ALA 95 HB1 ALA 95 -10.815 5.725 -2.935 766 2HB ALA 95 HB2 ALA 95 -12.473 5.812 -3.528 767 3HB ALA 95 HB3 ALA 95 -12.010 6.697 -2.075 768 HA PRO 96 HA PRO 96 -9.758 3.412 1.415 769 1HB PRO 96 HB2 PRO 96 -7.502 2.661 -0.301 770 2HB PRO 96 HB3 PRO 96 -8.339 1.700 0.921 771 1HG PRO 96 HG2 PRO 96 -8.577 1.180 -1.712 772 2HG PRO 96 HG3 PRO 96 -9.918 0.935 -0.582 773 1HD PRO 96 HD2 PRO 96 -9.428 3.208 -2.465 774 2HD PRO 96 HD3 PRO 96 -10.936 2.350 -2.115 775 H VAL 97 HN VAL 97 -9.351 5.445 2.160 776 HA VAL 97 HA VAL 97 -7.538 7.147 0.607 777 HB VAL 97 HB VAL 97 -8.399 9.028 1.909 778 1HG1 VAL 97 HG11 VAL 97 -10.644 7.323 0.836 779 2HG1 VAL 97 HG12 VAL 97 -10.660 9.075 1.040 780 3HG1 VAL 97 HG13 VAL 97 -9.577 8.335 -0.143 781 1HG2 VAL 97 HG21 VAL 97 -10.266 8.713 3.464 782 2HG2 VAL 97 HG22 VAL 97 -10.121 6.966 3.271 783 3HG2 VAL 97 HG23 VAL 97 -8.808 7.882 4.009 784 H HIS 98 HN HIS 98 -7.666 5.293 3.451 785 HA HIS 98 HA HIS 98 -5.033 6.314 4.215 786 1HB HIS 98 HB2 HIS 98 -7.254 5.813 6.210 787 2HB HIS 98 HB3 HIS 98 -5.596 6.234 6.606 788 HD1 HIS 98 HD1 HIS 98 -4.968 8.674 5.119 789 HD2 HIS 98 HD2 HIS 98 -8.804 7.964 6.538 790 HE1 HIS 98 HE1 HIS 98 -6.075 10.926 5.222 791 HE2 HIS 98 HE2 HIS 98 -8.472 10.430 5.841 792 H PHE 99 HN PHE 99 -3.774 4.776 5.413 793 HA PHE 99 HA PHE 99 -4.717 2.018 4.989 794 1HB PHE 99 HB2 PHE 99 -2.708 2.791 3.657 795 2HB PHE 99 HB3 PHE 99 -1.840 2.916 5.183 796 HD1 PHE 99 HD1 PHE 99 -0.758 1.049 6.071 797 HD2 PHE 99 HD2 PHE 99 -3.736 0.520 3.076 798 HE1 PHE 99 HE1 PHE 99 -0.196 -1.345 5.937 799 HE2 PHE 99 HE2 PHE 99 -3.180 -1.871 2.936 800 HZ PHE 99 HZ PHE 99 -1.406 -2.807 4.368 801 H VAL 100 HN VAL 100 -4.904 0.740 6.704 802 HA VAL 100 HA VAL 100 -4.280 1.882 9.313 803 HB VAL 100 HB VAL 100 -5.892 -0.569 8.588 804 1HG1 VAL 100 HG11 VAL 100 -5.579 0.846 11.230 805 2HG1 VAL 100 HG12 VAL 100 -6.710 -0.465 10.899 806 3HG1 VAL 100 HG13 VAL 100 -4.975 -0.759 10.820 807 1HG2 VAL 100 HG21 VAL 100 -6.794 2.200 9.382 808 2HG2 VAL 100 HG22 VAL 100 -6.946 1.476 7.781 809 3HG2 VAL 100 HG23 VAL 100 -7.850 0.810 9.139 810 H GLY 101 HN GLY 101 -4.224 -1.496 8.170 811 1HA GLY 101 HA1 GLY 101 -1.407 -1.795 8.454 812 2HA GLY 101 HA2 GLY 101 -2.245 -2.429 9.863 813 H VAL 102 HN VAL 102 -0.797 -4.184 8.426 814 HA VAL 102 HA VAL 102 -2.669 -5.483 6.597 815 HB VAL 102 HB VAL 102 -0.952 -6.594 5.595 816 1HG1 VAL 102 HG11 VAL 102 0.390 -4.122 6.653 817 2HG1 VAL 102 HG12 VAL 102 0.951 -5.077 5.281 818 3HG1 VAL 102 HG13 VAL 102 -0.604 -4.250 5.202 819 1HG2 VAL 102 HG21 VAL 102 0.690 -6.324 8.103 820 2HG2 VAL 102 HG22 VAL 102 -0.094 -7.785 7.496 821 3HG2 VAL 102 HG23 VAL 102 1.249 -7.068 6.603 822 H GLY 103 HN GLY 103 -3.054 -7.751 6.754 823 1HA GLY 103 HA1 GLY 103 -3.262 -9.769 7.935 824 2HA GLY 103 HA2 GLY 103 -2.585 -8.990 9.359 825 H SER 104 HN SER 104 -4.031 -7.051 10.068 826 HA SER 104 HA SER 104 -6.845 -7.255 9.666 827 1HB SER 104 HB2 SER 104 -7.314 -7.830 12.073 828 2HB SER 104 HB3 SER 104 -6.654 -9.165 11.133 829 HG SER 104 HG SER 104 -4.552 -8.504 12.015 830 H CYS 105 HN CYS 105 -7.952 -5.704 11.307 831 HA CYS 105 HA CYS 105 -6.008 -3.671 12.129 832 1HB CYS 105 HB2 CYS 105 -8.047 -2.088 11.984 833 2HB CYS 105 HB3 CYS 105 -7.183 -2.553 10.524 Start of MODEL 20 1 1H MET 1 H1 MET 1 -2.455 15.302 4.978 2 2H MET 1 H2 MET 1 -3.479 14.103 5.590 3 3H MET 1 H3 MET 1 -3.796 15.733 5.923 4 HA MET 1 HA MET 1 -5.285 14.857 4.234 5 1HB MET 1 HB2 MET 1 -4.501 17.262 4.256 6 2HB MET 1 HB3 MET 1 -3.311 16.813 3.041 7 1HG MET 1 HG2 MET 1 -5.188 17.810 1.950 8 2HG MET 1 HG3 MET 1 -5.162 16.089 1.564 9 1HE MET 1 HE1 MET 1 -7.670 16.187 0.713 10 2HE MET 1 HE2 MET 1 -8.994 16.874 1.652 11 3HE MET 1 HE3 MET 1 -7.704 17.915 1.057 12 H GLN 2 HN GLN 2 -5.139 12.864 3.372 13 HA GLN 2 HA GLN 2 -3.642 12.525 0.958 14 1HB GLN 2 HB2 GLN 2 -2.304 10.632 1.609 15 2HB GLN 2 HB3 GLN 2 -1.920 11.974 2.673 16 1HG GLN 2 HG2 GLN 2 -3.988 10.059 3.567 17 2HG GLN 2 HG3 GLN 2 -2.318 9.508 3.550 18 1HE2 GLN 2 HE21 GLN 2 -2.272 9.307 5.768 19 2HE2 GLN 2 HE22 GLN 2 -2.214 10.674 6.835 20 H ASP 3 HN ASP 3 -4.725 11.174 -0.384 21 HA ASP 3 HA ASP 3 -6.768 9.437 0.766 22 1HB ASP 3 HB2 ASP 3 -7.288 11.590 -1.253 23 2HB ASP 3 HB3 ASP 3 -8.425 10.300 -0.905 24 H TRP 4 HN TRP 4 -8.032 8.868 -1.685 25 HA TRP 4 HA TRP 4 -6.679 6.581 -2.367 26 1HB TRP 4 HB2 TRP 4 -9.047 6.915 -2.775 27 2HB TRP 4 HB3 TRP 4 -8.694 8.127 -3.997 28 HD1 TRP 4 HD1 TRP 4 -9.033 7.213 -6.344 29 HE1 TRP 4 HE1 TRP 4 -8.757 4.927 -7.515 30 HE3 TRP 4 HE3 TRP 4 -7.369 4.452 -2.370 31 HZ2 TRP 4 HZ2 TRP 4 -7.943 2.329 -6.840 32 HZ3 TRP 4 HZ3 TRP 4 -6.885 2.062 -2.718 33 HH2 TRP 4 HH2 TRP 4 -7.156 1.030 -4.913 34 H LEU 5 HN LEU 5 -6.501 9.711 -4.036 35 HA LEU 5 HA LEU 5 -5.159 8.748 -6.323 36 1HB LEU 5 HB2 LEU 5 -5.237 11.497 -5.082 37 2HB LEU 5 HB3 LEU 5 -4.483 11.153 -6.625 38 HG LEU 5 HG LEU 5 -6.618 12.082 -7.073 39 1HD1 LEU 5 HD11 LEU 5 -6.806 9.099 -7.428 40 2HD1 LEU 5 HD12 LEU 5 -7.729 10.313 -8.314 41 3HD1 LEU 5 HD13 LEU 5 -5.978 10.221 -8.509 42 1HD2 LEU 5 HD21 LEU 5 -8.710 11.164 -6.217 43 2HD2 LEU 5 HD22 LEU 5 -7.804 10.008 -5.240 44 3HD2 LEU 5 HD23 LEU 5 -7.671 11.736 -4.912 45 H THR 6 HN THR 6 -3.941 10.271 -3.345 46 HA THR 6 HA THR 6 -1.193 9.944 -4.062 47 HB THR 6 HB THR 6 -2.406 10.416 -1.328 48 HG1 THR 6 HG1 THR 6 -1.512 12.646 -1.986 49 1HG2 THR 6 HG21 THR 6 -0.203 11.309 -0.748 50 2HG2 THR 6 HG22 THR 6 0.395 10.881 -2.350 51 3HG2 THR 6 HG23 THR 6 -0.094 9.615 -1.223 52 H PHE 7 HN PHE 7 -3.542 8.124 -2.195 53 HA PHE 7 HA PHE 7 -1.947 6.168 -1.046 54 1HB PHE 7 HB2 PHE 7 -4.379 6.486 -0.645 55 2HB PHE 7 HB3 PHE 7 -4.714 5.825 -2.238 56 HD1 PHE 7 HD1 PHE 7 -4.030 5.104 1.214 57 HD2 PHE 7 HD2 PHE 7 -4.168 3.422 -2.696 58 HE1 PHE 7 HE1 PHE 7 -4.135 2.844 2.189 59 HE2 PHE 7 HE2 PHE 7 -4.275 1.164 -1.724 60 HZ PHE 7 HZ PHE 7 -4.261 0.875 0.721 61 H GLN 8 HN GLN 8 -3.344 6.336 -4.281 62 HA GLN 8 HA GLN 8 -2.644 3.884 -5.318 63 1HB GLN 8 HB2 GLN 8 -2.969 6.611 -6.462 64 2HB GLN 8 HB3 GLN 8 -2.315 5.339 -7.470 65 1HG GLN 8 HG2 GLN 8 -4.305 4.010 -7.144 66 2HG GLN 8 HG3 GLN 8 -4.951 5.222 -6.033 67 1HE2 GLN 8 HE21 GLN 8 -6.755 5.632 -7.262 68 2HE2 GLN 8 HE22 GLN 8 -6.690 6.471 -8.774 69 H LYS 9 HN LYS 9 -0.802 6.882 -5.802 70 HA LYS 9 HA LYS 9 1.362 5.830 -7.140 71 1HB LYS 9 HB2 LYS 9 1.367 8.118 -5.165 72 2HB LYS 9 HB3 LYS 9 2.592 7.822 -6.390 73 1HG LYS 9 HG2 LYS 9 1.136 8.360 -8.138 74 2HG LYS 9 HG3 LYS 9 -0.289 8.244 -7.103 75 1HD LYS 9 HD2 LYS 9 0.496 10.206 -5.844 76 2HD LYS 9 HD3 LYS 9 1.884 10.330 -6.927 77 1HE LYS 9 HE2 LYS 9 0.176 11.899 -7.599 78 2HE LYS 9 HE3 LYS 9 0.349 10.643 -8.822 79 1HZ LYS 9 HZ1 LYS 9 -1.747 10.668 -6.723 80 2HZ LYS 9 HZ2 LYS 9 -1.621 9.564 -8.004 81 3HZ LYS 9 HZ3 LYS 9 -1.980 11.195 -8.316 82 H LYS 10 HN LYS 10 0.734 5.914 -3.718 83 HA LYS 10 HA LYS 10 3.460 5.098 -3.107 84 1HB LYS 10 HB2 LYS 10 1.197 5.919 -1.295 85 2HB LYS 10 HB3 LYS 10 2.810 5.486 -0.745 86 1HG LYS 10 HG2 LYS 10 3.711 7.347 -2.122 87 2HG LYS 10 HG3 LYS 10 2.049 7.815 -2.489 88 1HD LYS 10 HD2 LYS 10 1.627 8.074 -0.066 89 2HD LYS 10 HD3 LYS 10 3.326 7.701 0.242 90 1HE LYS 10 HE2 LYS 10 3.964 9.645 -1.147 91 2HE LYS 10 HE3 LYS 10 2.256 10.033 -1.343 92 1HZ LYS 10 HZ1 LYS 10 3.164 11.370 0.394 93 2HZ LYS 10 HZ2 LYS 10 3.792 10.016 1.196 94 3HZ LYS 10 HZ3 LYS 10 2.115 10.241 1.101 95 H HIS 11 HN HIS 11 0.438 3.534 -3.536 96 HA HIS 11 HA HIS 11 1.479 1.260 -1.983 97 1HB HIS 11 HB2 HIS 11 -1.308 2.385 -1.826 98 2HB HIS 11 HB3 HIS 11 -0.894 0.772 -1.257 99 HD1 HIS 11 HD1 HIS 11 0.744 0.640 0.819 100 HD2 HIS 11 HD2 HIS 11 -0.609 4.457 -0.138 101 HE1 HIS 11 HE1 HIS 11 1.255 2.066 2.829 102 HE2 HIS 11 HE2 HIS 11 0.683 4.413 2.108 103 H ILE 12 HN ILE 12 0.039 2.283 -4.905 104 HA ILE 12 HA ILE 12 -0.880 -0.446 -5.470 105 HB ILE 12 HB ILE 12 -1.332 2.086 -7.070 106 1HG1 ILE 12 HG12 ILE 12 -2.532 2.131 -4.948 107 2HG1 ILE 12 HG13 ILE 12 -3.656 1.922 -6.282 108 1HG2 ILE 12 HG21 ILE 12 -1.364 0.188 -8.536 109 2HG2 ILE 12 HG22 ILE 12 -2.411 -0.703 -7.429 110 3HG2 ILE 12 HG23 ILE 12 -3.026 0.722 -8.268 111 1HD1 ILE 12 HD11 ILE 12 -4.241 0.530 -4.374 112 2HD1 ILE 12 HD12 ILE 12 -3.823 -0.453 -5.777 113 3HD1 ILE 12 HD13 ILE 12 -2.668 -0.260 -4.460 114 H THR 13 HN THR 13 0.786 -1.663 -6.106 115 HA THR 13 HA THR 13 2.518 -0.581 -8.224 116 HB THR 13 HB THR 13 3.839 -1.100 -6.231 117 HG1 THR 13 HG1 THR 13 4.978 -3.078 -7.433 118 1HG2 THR 13 HG21 THR 13 2.444 -2.806 -5.204 119 2HG2 THR 13 HG22 THR 13 4.082 -3.425 -5.447 120 3HG2 THR 13 HG23 THR 13 2.777 -3.912 -6.539 121 H ASN 14 HN ASN 14 2.911 -1.850 -10.030 122 HA ASN 14 HA ASN 14 1.031 -4.090 -10.340 123 1HB ASN 14 HB2 ASN 14 1.176 -3.651 -12.784 124 2HB ASN 14 HB3 ASN 14 0.543 -2.276 -11.884 125 1HD2 ASN 14 HD21 ASN 14 1.787 -0.423 -11.678 126 2HD2 ASN 14 HD22 ASN 14 3.168 -0.129 -12.680 127 H THR 15 HN THR 15 3.949 -3.767 -9.400 128 HA THR 15 HA THR 15 4.799 -6.247 -10.705 129 HB THR 15 HB THR 15 6.166 -4.546 -11.756 130 HG1 THR 15 HG1 THR 15 8.284 -5.230 -10.884 131 1HG2 THR 15 HG21 THR 15 7.620 -3.051 -10.472 132 2HG2 THR 15 HG22 THR 15 6.935 -3.670 -8.969 133 3HG2 THR 15 HG23 THR 15 5.920 -2.768 -10.096 134 H ARG 16 HN ARG 16 5.681 -7.745 -9.329 135 HA ARG 16 HA ARG 16 5.174 -7.501 -6.554 136 1HB ARG 16 HB2 ARG 16 6.893 -9.478 -8.070 137 2HB ARG 16 HB3 ARG 16 6.539 -9.591 -6.352 138 1HG ARG 16 HG2 ARG 16 4.492 -9.652 -8.545 139 2HG ARG 16 HG3 ARG 16 5.118 -11.057 -7.677 140 1HD ARG 16 HD2 ARG 16 3.715 -8.722 -6.412 141 2HD ARG 16 HD3 ARG 16 2.945 -10.260 -6.797 142 HE ARG 16 HE ARG 16 4.592 -11.259 -5.191 143 1HH1 ARG 16 HH12 ARG 16 3.735 -7.874 -4.968 144 2HH1 ARG 16 HH11 ARG 16 4.014 -7.776 -3.263 145 1HH2 ARG 16 HH22 ARG 16 4.908 -11.147 -2.912 146 2HH2 ARG 16 HH21 ARG 16 4.639 -9.634 -2.092 147 H ASP 17 HN ASP 17 7.953 -6.895 -8.547 148 HA ASP 17 HA ASP 17 9.610 -6.415 -6.180 149 1HB ASP 17 HB2 ASP 17 10.406 -7.845 -8.161 150 2HB ASP 17 HB3 ASP 17 10.530 -6.332 -9.054 151 H VAL 18 HN VAL 18 8.394 -4.472 -5.667 152 HA VAL 18 HA VAL 18 8.509 -2.232 -7.428 153 HB VAL 18 HB VAL 18 6.789 -2.001 -5.869 154 1HG1 VAL 18 HG11 VAL 18 7.092 -2.183 -3.413 155 2HG1 VAL 18 HG12 VAL 18 7.370 -3.699 -4.274 156 3HG1 VAL 18 HG13 VAL 18 8.741 -2.746 -3.698 157 1HG2 VAL 18 HG21 VAL 18 7.911 0.089 -6.087 158 2HG2 VAL 18 HG22 VAL 18 7.439 -0.094 -4.397 159 3HG2 VAL 18 HG23 VAL 18 9.115 -0.371 -4.882 160 H ASP 19 HN ASP 19 10.089 -0.775 -7.705 161 HA ASP 19 HA ASP 19 12.689 -1.456 -6.700 162 1HB ASP 19 HB2 ASP 19 11.908 -0.514 -9.057 163 2HB ASP 19 HB3 ASP 19 12.214 1.034 -8.275 164 H CYS 20 HN CYS 20 11.744 -1.000 -4.484 165 HA CYS 20 HA CYS 20 11.074 1.482 -3.522 166 1HB CYS 20 HB2 CYS 20 12.252 -0.937 -2.217 167 2HB CYS 20 HB3 CYS 20 11.878 0.516 -1.280 168 H ASP 21 HN ASP 21 14.370 0.111 -3.666 169 HA ASP 21 HA ASP 21 15.650 2.124 -2.236 170 1HB ASP 21 HB2 ASP 21 17.713 1.454 -3.270 171 2HB ASP 21 HB3 ASP 21 16.743 0.020 -2.976 172 H ASN 22 HN ASN 22 14.289 2.273 -5.402 173 HA ASN 22 HA ASN 22 15.505 4.911 -5.835 174 1HB ASN 22 HB2 ASN 22 15.607 3.377 -7.743 175 2HB ASN 22 HB3 ASN 22 13.860 3.188 -7.700 176 1HD2 ASN 22 HD21 ASN 22 16.496 5.271 -8.521 177 2HD2 ASN 22 HD22 ASN 22 15.573 6.435 -9.417 178 H ILE 23 HN ILE 23 12.356 3.317 -6.016 179 HA ILE 23 HA ILE 23 10.784 5.575 -6.406 180 HB ILE 23 HB ILE 23 10.086 2.956 -5.077 181 1HG1 ILE 23 HG12 ILE 23 9.651 4.012 -7.878 182 2HG1 ILE 23 HG13 ILE 23 10.829 2.794 -7.406 183 1HG2 ILE 23 HG21 ILE 23 8.492 4.685 -4.387 184 2HG2 ILE 23 HG22 ILE 23 8.206 5.092 -6.080 185 3HG2 ILE 23 HG23 ILE 23 7.743 3.504 -5.462 186 1HD1 ILE 23 HD11 ILE 23 9.033 1.280 -6.786 187 2HD1 ILE 23 HD12 ILE 23 7.841 2.505 -7.222 188 3HD1 ILE 23 HD13 ILE 23 8.878 1.803 -8.465 189 H LEU 24 HN LEU 24 11.818 4.097 -3.339 190 HA LEU 24 HA LEU 24 10.180 5.890 -1.784 191 1HB LEU 24 HB2 LEU 24 12.434 4.129 -0.829 192 2HB LEU 24 HB3 LEU 24 11.202 4.881 0.163 193 HG LEU 24 HG LEU 24 10.750 2.682 -1.855 194 1HD1 LEU 24 HD11 LEU 24 10.662 2.679 1.152 195 2HD1 LEU 24 HD12 LEU 24 10.262 1.320 0.100 196 3HD1 LEU 24 HD13 LEU 24 11.911 1.941 0.148 197 1HD2 LEU 24 HD21 LEU 24 8.844 4.096 -0.004 198 2HD2 LEU 24 HD22 LEU 24 8.792 4.065 -1.768 199 3HD2 LEU 24 HD23 LEU 24 8.491 2.588 -0.847 200 H SER 25 HN SER 25 13.092 6.240 -3.378 201 HA SER 25 HA SER 25 14.248 8.032 -1.382 202 1HB SER 25 HB2 SER 25 15.335 7.164 -4.072 203 2HB SER 25 HB3 SER 25 16.209 8.084 -2.843 204 HG SER 25 HG SER 25 15.848 5.415 -3.033 205 H THR 26 HN THR 26 11.999 8.258 -3.741 206 HA THR 26 HA THR 26 12.772 10.798 -4.862 207 HB THR 26 HB THR 26 10.546 10.799 -5.901 208 HG1 THR 26 HG1 THR 26 10.012 8.248 -4.813 209 1HG2 THR 26 HG21 THR 26 12.364 9.545 -6.981 210 2HG2 THR 26 HG22 THR 26 10.793 8.802 -7.280 211 3HG2 THR 26 HG23 THR 26 11.888 8.099 -6.089 212 H ASN 27 HN ASN 27 11.003 12.582 -4.742 213 HA ASN 27 HA ASN 27 10.796 13.455 -2.054 214 1HB ASN 27 HB2 ASN 27 10.959 15.029 -3.911 215 2HB ASN 27 HB3 ASN 27 9.425 14.460 -4.558 216 1HD2 ASN 27 HD21 ASN 27 7.544 15.251 -3.747 217 2HD2 ASN 27 HD22 ASN 27 7.460 16.469 -2.520 218 H LEU 28 HN LEU 28 8.921 11.354 -3.915 219 HA LEU 28 HA LEU 28 6.347 11.801 -2.815 220 1HB LEU 28 HB2 LEU 28 6.765 10.611 -4.934 221 2HB LEU 28 HB3 LEU 28 7.523 9.307 -4.046 222 HG LEU 28 HG LEU 28 5.310 8.921 -2.902 223 1HD1 LEU 28 HD11 LEU 28 4.332 11.126 -3.346 224 2HD1 LEU 28 HD12 LEU 28 4.294 10.750 -5.068 225 3HD1 LEU 28 HD13 LEU 28 3.312 9.815 -3.940 226 1HD2 LEU 28 HD21 LEU 28 4.332 7.760 -4.834 227 2HD2 LEU 28 HD22 LEU 28 5.437 8.631 -5.898 228 3HD2 LEU 28 HD23 LEU 28 6.072 7.497 -4.707 229 H PHE 29 HN PHE 29 9.168 10.216 -1.571 230 HA PHE 29 HA PHE 29 7.559 9.101 0.628 231 1HB PHE 29 HB2 PHE 29 9.757 7.693 -0.887 232 2HB PHE 29 HB3 PHE 29 9.202 7.174 0.696 233 HD1 PHE 29 HD1 PHE 29 8.546 7.198 -2.848 234 HD2 PHE 29 HD2 PHE 29 6.903 6.322 0.974 235 HE1 PHE 29 HE1 PHE 29 6.762 5.887 -3.921 236 HE2 PHE 29 HE2 PHE 29 5.119 5.011 -0.088 237 HZ PHE 29 HZ PHE 29 5.150 4.650 -2.527 238 H HIS 30 HN HIS 30 10.686 10.115 -0.576 239 HA HIS 30 HA HIS 30 12.661 10.542 0.424 240 1HB HIS 30 HB2 HIS 30 12.517 12.412 2.090 241 2HB HIS 30 HB3 HIS 30 11.764 12.709 0.545 242 HD1 HIS 30 HD1 HIS 30 10.929 12.157 4.175 243 HD2 HIS 30 HD2 HIS 30 9.057 13.247 0.628 244 HE1 HIS 30 HE1 HIS 30 8.662 13.025 4.844 245 HE2 HIS 30 HE2 HIS 30 7.619 13.847 2.697 246 H CYS 31 HN CYS 31 12.520 8.268 1.085 247 HA CYS 31 HA CYS 31 12.529 6.537 2.521 248 1HB CYS 31 HB2 CYS 31 14.331 6.781 4.284 249 2HB CYS 31 HB3 CYS 31 14.791 6.982 2.604 250 H LYS 32 HN LYS 32 10.294 6.988 3.129 251 HA LYS 32 HA LYS 32 9.668 7.720 5.793 252 1HB LYS 32 HB2 LYS 32 7.539 6.852 5.363 253 2HB LYS 32 HB3 LYS 32 8.095 7.323 3.764 254 1HG LYS 32 HG2 LYS 32 8.168 4.527 4.889 255 2HG LYS 32 HG3 LYS 32 6.975 5.149 3.754 256 1HD LYS 32 HD2 LYS 32 8.517 5.257 2.004 257 2HD LYS 32 HD3 LYS 32 9.900 5.222 3.101 258 1HE LYS 32 HE2 LYS 32 8.000 2.922 2.730 259 2HE LYS 32 HE3 LYS 32 9.504 3.105 1.831 260 1HZ LYS 32 HZ1 LYS 32 9.300 2.923 4.791 261 2HZ LYS 32 HZ2 LYS 32 10.731 3.034 3.901 262 3HZ LYS 32 HZ3 LYS 32 9.753 1.654 3.767 263 H ASP 33 HN ASP 33 8.847 6.077 7.417 264 HA ASP 33 HA ASP 33 10.905 4.332 8.187 265 1HB ASP 33 HB2 ASP 33 7.987 4.261 9.002 266 2HB ASP 33 HB3 ASP 33 9.302 3.449 9.845 267 H LYS 34 HN LYS 34 7.638 3.459 7.048 268 HA LYS 34 HA LYS 34 8.755 1.337 5.436 269 1HB LYS 34 HB2 LYS 34 7.695 -0.503 6.434 270 2HB LYS 34 HB3 LYS 34 8.439 0.364 7.763 271 1HG LYS 34 HG2 LYS 34 5.560 0.734 7.030 272 2HG LYS 34 HG3 LYS 34 6.104 -0.550 8.106 273 1HD LYS 34 HD2 LYS 34 7.102 1.161 9.582 274 2HD LYS 34 HD3 LYS 34 6.452 2.417 8.523 275 1HE LYS 34 HE2 LYS 34 5.037 2.001 10.513 276 2HE LYS 34 HE3 LYS 34 4.191 1.705 8.994 277 1HZ LYS 34 HZ1 LYS 34 4.501 -0.649 9.277 278 2HZ LYS 34 HZ2 LYS 34 3.793 -0.023 10.688 279 3HZ LYS 34 HZ3 LYS 34 5.444 -0.411 10.666 280 H ASN 35 HN ASN 35 6.932 0.155 4.247 281 HA ASN 35 HA ASN 35 4.485 1.577 3.860 282 1HB ASN 35 HB2 ASN 35 6.152 3.129 2.769 283 2HB ASN 35 HB3 ASN 35 6.525 1.836 1.644 284 1HD2 ASN 35 HD21 ASN 35 5.088 1.307 0.060 285 2HD2 ASN 35 HD22 ASN 35 3.730 2.301 -0.351 286 H THR 36 HN THR 36 3.193 -0.081 3.483 287 HA THR 36 HA THR 36 4.128 -2.462 2.146 288 HB THR 36 HB THR 36 1.304 -1.870 3.035 289 HG1 THR 36 HG1 THR 36 3.290 -3.160 4.626 290 1HG2 THR 36 HG21 THR 36 2.842 -4.457 2.766 291 2HG2 THR 36 HG22 THR 36 1.633 -3.858 1.629 292 3HG2 THR 36 HG23 THR 36 1.159 -4.294 3.271 293 H PHE 37 HN PHE 37 4.244 -2.447 -0.010 294 HA PHE 37 HA PHE 37 2.299 -0.983 -1.613 295 1HB PHE 37 HB2 PHE 37 4.645 -2.722 -2.428 296 2HB PHE 37 HB3 PHE 37 3.606 -1.852 -3.554 297 HD1 PHE 37 HD1 PHE 37 6.018 -1.404 -0.781 298 HD2 PHE 37 HD2 PHE 37 4.022 0.398 -4.082 299 HE1 PHE 37 HE1 PHE 37 7.494 0.557 -0.604 300 HE2 PHE 37 HE2 PHE 37 5.497 2.351 -3.913 301 HZ PHE 37 HZ PHE 37 7.238 2.422 -2.182 302 H ILE 38 HN ILE 38 0.862 -1.968 -3.035 303 HA ILE 38 HA ILE 38 0.256 -4.782 -2.391 304 HB ILE 38 HB ILE 38 -1.667 -2.657 -3.359 305 1HG1 ILE 38 HG12 ILE 38 -1.463 -3.748 -0.549 306 2HG1 ILE 38 HG13 ILE 38 -0.665 -2.261 -1.054 307 1HG2 ILE 38 HG21 ILE 38 -2.158 -5.408 -2.220 308 2HG2 ILE 38 HG22 ILE 38 -3.398 -4.245 -2.691 309 3HG2 ILE 38 HG23 ILE 38 -2.330 -4.937 -3.912 310 1HD1 ILE 38 HD11 ILE 38 -3.627 -2.779 -1.130 311 2HD1 ILE 38 HD12 ILE 38 -2.770 -1.815 0.072 312 3HD1 ILE 38 HD13 ILE 38 -2.820 -1.286 -1.608 313 H TYR 39 HN TYR 39 0.766 -6.099 -4.032 314 HA TYR 39 HA TYR 39 0.863 -5.151 -6.751 315 1HB TYR 39 HB2 TYR 39 2.458 -6.855 -6.116 316 2HB TYR 39 HB3 TYR 39 1.167 -7.926 -5.587 317 HD1 TYR 39 HD1 TYR 39 2.590 -6.270 -8.591 318 HD2 TYR 39 HD2 TYR 39 0.168 -9.428 -7.096 319 HE1 TYR 39 HE1 TYR 39 2.525 -7.268 -10.835 320 HE2 TYR 39 HE2 TYR 39 0.096 -10.438 -9.337 321 HH TYR 39 HH TYR 39 0.362 -9.623 -11.751 322 H SER 40 HN SER 40 -1.093 -4.500 -7.324 323 HA SER 40 HA SER 40 -3.007 -6.341 -8.231 324 1HB SER 40 HB2 SER 40 -3.565 -6.561 -5.826 325 2HB SER 40 HB3 SER 40 -3.743 -4.816 -5.708 326 HG SER 40 HG SER 40 -5.626 -4.913 -6.693 327 H ARG 41 HN ARG 41 -4.799 -5.177 -9.283 328 HA ARG 41 HA ARG 41 -4.056 -2.582 -10.219 329 1HB ARG 41 HB2 ARG 41 -6.706 -4.017 -10.450 330 2HB ARG 41 HB3 ARG 41 -6.260 -2.571 -11.319 331 1HG ARG 41 HG2 ARG 41 -4.445 -4.848 -11.648 332 2HG ARG 41 HG3 ARG 41 -6.071 -5.053 -12.308 333 1HD ARG 41 HD2 ARG 41 -5.134 -4.038 -14.082 334 2HD ARG 41 HD3 ARG 41 -5.587 -2.598 -13.190 335 HE ARG 41 HE ARG 41 -2.887 -3.697 -12.830 336 1HH1 ARG 41 HH12 ARG 41 -5.005 -1.127 -13.904 337 2HH1 ARG 41 HH11 ARG 41 -3.706 -0.047 -14.315 338 1HH2 ARG 41 HH22 ARG 41 -1.173 -2.286 -13.368 339 2HH2 ARG 41 HH21 ARG 41 -1.519 -0.697 -13.990 340 HA PRO 42 HA PRO 42 -5.861 -0.074 -7.067 341 1HB PRO 42 HB2 PRO 42 -6.975 1.943 -8.553 342 2HB PRO 42 HB3 PRO 42 -5.251 1.824 -8.189 343 1HG PRO 42 HG2 PRO 42 -6.722 1.059 -10.668 344 2HG PRO 42 HG3 PRO 42 -5.139 1.833 -10.502 345 1HD PRO 42 HD2 PRO 42 -5.425 -0.802 -11.066 346 2HD PRO 42 HD3 PRO 42 -4.064 -0.167 -10.115 347 H GLU 43 HN GLU 43 -7.861 -1.165 -9.737 348 HA GLU 43 HA GLU 43 -10.315 -0.197 -8.698 349 1HB GLU 43 HB2 GLU 43 -9.626 -2.219 -10.804 350 2HB GLU 43 HB3 GLU 43 -11.283 -1.853 -10.370 351 1HG GLU 43 HG2 GLU 43 -9.235 0.033 -11.496 352 2HG GLU 43 HG3 GLU 43 -10.685 -0.569 -12.295 353 HA PRO 44 HA PRO 44 -11.013 -4.779 -7.167 354 1HB PRO 44 HB2 PRO 44 -8.701 -6.214 -6.783 355 2HB PRO 44 HB3 PRO 44 -9.731 -6.355 -8.209 356 1HG PRO 44 HG2 PRO 44 -7.215 -4.790 -7.827 357 2HG PRO 44 HG3 PRO 44 -7.736 -5.755 -9.222 358 1HD PRO 44 HD2 PRO 44 -7.935 -3.073 -9.221 359 2HD PRO 44 HD3 PRO 44 -9.148 -4.093 -9.994 360 H VAL 45 HN VAL 45 -8.381 -2.693 -6.286 361 HA VAL 45 HA VAL 45 -8.467 -3.522 -3.493 362 HB VAL 45 HB VAL 45 -6.923 -1.284 -4.825 363 1HG1 VAL 45 HG11 VAL 45 -5.676 -1.105 -2.742 364 2HG1 VAL 45 HG12 VAL 45 -7.387 -0.781 -2.475 365 3HG1 VAL 45 HG13 VAL 45 -6.701 -2.337 -2.007 366 1HG2 VAL 45 HG21 VAL 45 -6.167 -3.487 -5.519 367 2HG2 VAL 45 HG22 VAL 45 -4.973 -2.731 -4.464 368 3HG2 VAL 45 HG23 VAL 45 -6.035 -3.989 -3.833 369 H LYS 46 HN LYS 46 -9.490 -0.853 -5.550 370 HA LYS 46 HA LYS 46 -10.578 0.742 -3.470 371 1HB LYS 46 HB2 LYS 46 -9.988 1.561 -5.754 372 2HB LYS 46 HB3 LYS 46 -11.359 0.664 -6.391 373 1HG LYS 46 HG2 LYS 46 -12.894 2.035 -5.152 374 2HG LYS 46 HG3 LYS 46 -11.560 2.861 -4.345 375 1HD LYS 46 HD2 LYS 46 -10.794 3.738 -6.487 376 2HD LYS 46 HD3 LYS 46 -12.113 2.901 -7.307 377 1HE LYS 46 HE2 LYS 46 -12.507 4.963 -5.150 378 2HE LYS 46 HE3 LYS 46 -12.518 5.328 -6.871 379 1HZ LYS 46 HZ1 LYS 46 -14.356 3.414 -5.537 380 2HZ LYS 46 HZ2 LYS 46 -14.397 3.878 -7.166 381 3HZ LYS 46 HZ3 LYS 46 -14.753 5.011 -5.956 382 H ALA 47 HN ALA 47 -11.737 -1.924 -5.384 383 HA ALA 47 HA ALA 47 -14.480 -1.752 -4.813 384 1HB ALA 47 HB1 ALA 47 -12.853 -4.232 -5.355 385 2HB ALA 47 HB2 ALA 47 -14.603 -4.074 -5.505 386 3HB ALA 47 HB3 ALA 47 -13.540 -3.170 -6.584 387 H ILE 48 HN ILE 48 -11.812 -2.767 -2.866 388 HA ILE 48 HA ILE 48 -13.188 -4.325 -0.954 389 HB ILE 48 HB ILE 48 -10.795 -2.529 -0.480 390 1HG1 ILE 48 HG12 ILE 48 -10.839 -5.464 -1.225 391 2HG1 ILE 48 HG13 ILE 48 -10.542 -4.165 -2.374 392 1HG2 ILE 48 HG21 ILE 48 -11.836 -3.273 1.583 393 2HG2 ILE 48 HG22 ILE 48 -11.805 -4.943 1.022 394 3HG2 ILE 48 HG23 ILE 48 -10.294 -4.097 1.348 395 1HD1 ILE 48 HD11 ILE 48 -8.567 -3.504 -1.078 396 2HD1 ILE 48 HD12 ILE 48 -8.852 -4.862 0.011 397 3HD1 ILE 48 HD13 ILE 48 -8.465 -5.157 -1.684 398 H CYS 49 HN CYS 49 -12.879 -0.915 -1.524 399 HA CYS 49 HA CYS 49 -14.290 -0.280 0.965 400 1HB CYS 49 HB2 CYS 49 -12.725 1.427 -0.973 401 2HB CYS 49 HB3 CYS 49 -13.573 2.060 0.434 402 H LYS 50 HN LYS 50 -15.288 -1.272 -1.809 403 HA LYS 50 HA LYS 50 -16.923 0.714 -2.926 404 1HB LYS 50 HB2 LYS 50 -16.423 -1.401 -4.068 405 2HB LYS 50 HB3 LYS 50 -17.334 -2.283 -2.852 406 1HG LYS 50 HG2 LYS 50 -19.387 -1.247 -3.567 407 2HG LYS 50 HG3 LYS 50 -18.512 -0.223 -4.706 408 1HD LYS 50 HD2 LYS 50 -19.516 -2.068 -5.898 409 2HD LYS 50 HD3 LYS 50 -17.763 -2.255 -5.902 410 1HE LYS 50 HE2 LYS 50 -18.755 -4.392 -5.468 411 2HE LYS 50 HE3 LYS 50 -17.981 -3.824 -3.990 412 1HZ LYS 50 HZ1 LYS 50 -20.174 -4.796 -3.582 413 2HZ LYS 50 HZ2 LYS 50 -20.890 -3.624 -4.574 414 3HZ LYS 50 HZ3 LYS 50 -20.127 -3.161 -3.133 415 H GLY 51 HN GLY 51 -18.532 1.772 -2.038 416 1HA GLY 51 HA1 GLY 51 -20.714 1.890 -1.172 417 2HA GLY 51 HA2 GLY 51 -20.486 0.316 -0.432 418 H ILE 52 HN ILE 52 -17.739 1.956 0.293 419 HA ILE 52 HA ILE 52 -18.840 2.701 2.915 420 HB ILE 52 HB ILE 52 -15.912 2.371 2.305 421 1HG1 ILE 52 HG12 ILE 52 -17.003 0.266 1.680 422 2HG1 ILE 52 HG13 ILE 52 -16.069 0.064 3.158 423 1HG2 ILE 52 HG21 ILE 52 -15.765 1.964 4.718 424 2HG2 ILE 52 HG22 ILE 52 -16.488 3.535 4.363 425 3HG2 ILE 52 HG23 ILE 52 -17.510 2.185 4.857 426 1HD1 ILE 52 HD11 ILE 52 -19.050 0.411 2.983 427 2HD1 ILE 52 HD12 ILE 52 -18.188 -1.098 3.288 428 3HD1 ILE 52 HD13 ILE 52 -18.122 0.212 4.469 429 H ILE 53 HN ILE 53 -19.518 4.801 2.536 430 HA ILE 53 HA ILE 53 -17.750 6.703 1.273 431 HB ILE 53 HB ILE 53 -20.525 6.922 2.431 432 1HG1 ILE 53 HG12 ILE 53 -21.109 7.494 0.103 433 2HG1 ILE 53 HG13 ILE 53 -19.437 7.269 -0.374 434 1HG2 ILE 53 HG21 ILE 53 -20.581 9.248 1.689 435 2HG2 ILE 53 HG22 ILE 53 -19.357 9.001 2.934 436 3HG2 ILE 53 HG23 ILE 53 -18.876 9.150 1.243 437 1HD1 ILE 53 HD11 ILE 53 -19.606 4.909 0.242 438 2HD1 ILE 53 HD12 ILE 53 -21.301 5.153 0.673 439 3HD1 ILE 53 HD13 ILE 53 -20.775 5.361 -1.000 440 H ALA 54 HN ALA 54 -19.160 6.197 4.495 441 HA ALA 54 HA ALA 54 -17.573 8.347 5.616 442 1HB ALA 54 HB1 ALA 54 -19.363 6.325 6.964 443 2HB ALA 54 HB2 ALA 54 -18.638 7.735 7.734 444 3HB ALA 54 HB3 ALA 54 -19.832 7.945 6.453 445 H SER 55 HN SER 55 -15.767 8.136 6.856 446 HA SER 55 HA SER 55 -13.939 6.215 6.173 447 1HB SER 55 HB2 SER 55 -12.678 7.033 8.250 448 2HB SER 55 HB3 SER 55 -13.116 8.241 7.042 449 HG SER 55 HG SER 55 -13.845 9.183 8.815 450 H LYS 56 HN LYS 56 -13.975 4.128 6.494 451 HA LYS 56 HA LYS 56 -14.409 3.091 9.204 452 1HB LYS 56 HB2 LYS 56 -16.532 2.861 7.947 453 2HB LYS 56 HB3 LYS 56 -15.683 1.954 6.704 454 1HG LYS 56 HG2 LYS 56 -15.102 0.263 8.444 455 2HG LYS 56 HG3 LYS 56 -16.157 1.136 9.557 456 1HD LYS 56 HD2 LYS 56 -18.026 0.822 7.957 457 2HD LYS 56 HD3 LYS 56 -16.957 -0.154 6.949 458 1HE LYS 56 HE2 LYS 56 -18.253 -1.653 8.264 459 2HE LYS 56 HE3 LYS 56 -16.617 -1.656 8.925 460 1HZ LYS 56 HZ1 LYS 56 -17.384 -0.080 10.632 461 2HZ LYS 56 HZ2 LYS 56 -18.214 -1.557 10.699 462 3HZ LYS 56 HZ3 LYS 56 -18.962 -0.195 10.018 463 H ASN 57 HN ASN 57 -12.884 1.641 9.755 464 HA ASN 57 HA ASN 57 -10.921 0.834 7.802 465 1HB ASN 57 HB2 ASN 57 -9.831 -0.317 9.757 466 2HB ASN 57 HB3 ASN 57 -10.012 1.434 9.915 467 1HD2 ASN 57 HD21 ASN 57 -9.686 -0.686 11.894 468 2HD2 ASN 57 HD22 ASN 57 -11.017 -0.526 12.975 469 H VAL 58 HN VAL 58 -11.096 -0.915 6.595 470 HA VAL 58 HA VAL 58 -12.680 -3.149 7.667 471 HB VAL 58 HB VAL 58 -13.592 -3.622 5.529 472 1HG1 VAL 58 HG11 VAL 58 -13.744 -0.657 5.988 473 2HG1 VAL 58 HG12 VAL 58 -14.857 -1.601 4.999 474 3HG1 VAL 58 HG13 VAL 58 -14.761 -1.888 6.737 475 1HG2 VAL 58 HG21 VAL 58 -13.079 -2.326 3.511 476 2HG2 VAL 58 HG22 VAL 58 -11.826 -1.466 4.409 477 3HG2 VAL 58 HG23 VAL 58 -11.677 -3.202 4.133 478 H LEU 59 HN LEU 59 -11.803 -5.105 7.596 479 HA LEU 59 HA LEU 59 -9.094 -5.395 6.563 480 1HB LEU 59 HB2 LEU 59 -9.685 -6.033 8.894 481 2HB LEU 59 HB3 LEU 59 -10.788 -7.226 8.265 482 HG LEU 59 HG LEU 59 -8.470 -7.956 9.139 483 1HD1 LEU 59 HD11 LEU 59 -10.074 -9.428 8.035 484 2HD1 LEU 59 HD12 LEU 59 -9.430 -8.939 6.468 485 3HD1 LEU 59 HD13 LEU 59 -8.407 -9.818 7.608 486 1HD2 LEU 59 HD21 LEU 59 -6.725 -8.022 7.439 487 2HD2 LEU 59 HD22 LEU 59 -7.731 -7.039 6.374 488 3HD2 LEU 59 HD23 LEU 59 -7.138 -6.367 7.893 489 H THR 60 HN THR 60 -8.576 -6.785 4.893 490 HA THR 60 HA THR 60 -10.694 -7.255 3.038 491 HB THR 60 HB THR 60 -8.934 -8.200 1.565 492 HG1 THR 60 HG1 THR 60 -7.146 -8.874 2.443 493 1HG2 THR 60 HG21 THR 60 -8.235 -5.577 2.882 494 2HG2 THR 60 HG22 THR 60 -9.362 -5.806 1.544 495 3HG2 THR 60 HG23 THR 60 -7.641 -6.123 1.315 496 H THR 61 HN THR 61 -11.322 -9.193 2.087 497 HA THR 61 HA THR 61 -11.643 -11.340 3.944 498 HB THR 61 HB THR 61 -12.849 -12.371 1.945 499 HG1 THR 61 HG1 THR 61 -12.533 -11.389 0.089 500 1HG2 THR 61 HG21 THR 61 -13.681 -9.624 2.896 501 2HG2 THR 61 HG22 THR 61 -14.027 -11.152 3.709 502 3HG2 THR 61 HG23 THR 61 -14.747 -10.807 2.135 503 H SER 62 HN SER 62 -9.444 -10.594 1.441 504 HA SER 62 HA SER 62 -8.406 -13.338 1.420 505 1HB SER 62 HB2 SER 62 -7.878 -12.895 -1.042 506 2HB SER 62 HB3 SER 62 -9.577 -13.150 -0.640 507 HG SER 62 HG SER 62 -9.698 -11.337 -1.778 508 H GLU 63 HN GLU 63 -6.154 -13.519 0.881 509 HA GLU 63 HA GLU 63 -4.595 -11.260 1.783 510 1HB GLU 63 HB2 GLU 63 -3.543 -13.928 0.848 511 2HB GLU 63 HB3 GLU 63 -2.729 -12.745 1.846 512 1HG GLU 63 HG2 GLU 63 -3.323 -14.310 3.393 513 2HG GLU 63 HG3 GLU 63 -4.658 -13.174 3.517 514 H PHE 64 HN PHE 64 -3.548 -9.901 0.521 515 HA PHE 64 HA PHE 64 -3.482 -10.454 -2.359 516 1HB PHE 64 HB2 PHE 64 -3.318 -7.890 -0.790 517 2HB PHE 64 HB3 PHE 64 -2.937 -7.969 -2.502 518 HD1 PHE 64 HD1 PHE 64 -4.611 -7.741 -4.085 519 HD2 PHE 64 HD2 PHE 64 -5.663 -8.711 -0.075 520 HE1 PHE 64 HE1 PHE 64 -6.990 -7.451 -4.640 521 HE2 PHE 64 HE2 PHE 64 -8.042 -8.421 -0.626 522 HZ PHE 64 HZ PHE 64 -8.708 -7.791 -2.911 523 H TYR 65 HN TYR 65 -1.539 -9.530 -3.494 524 HA TYR 65 HA TYR 65 0.790 -10.660 -2.203 525 1HB TYR 65 HB2 TYR 65 0.516 -9.449 -4.963 526 2HB TYR 65 HB3 TYR 65 1.862 -10.427 -4.378 527 HD1 TYR 65 HD1 TYR 65 -1.297 -10.464 -6.008 528 HD2 TYR 65 HD2 TYR 65 1.316 -12.838 -3.636 529 HE1 TYR 65 HE1 TYR 65 -2.436 -12.491 -6.801 530 HE2 TYR 65 HE2 TYR 65 0.180 -14.877 -4.417 531 HH TYR 65 HH TYR 65 -1.866 -14.931 -7.070 532 H LEU 66 HN LEU 66 1.667 -9.385 -0.734 533 HA LEU 66 HA LEU 66 1.675 -6.492 -1.182 534 1HB LEU 66 HB2 LEU 66 2.164 -8.039 1.359 535 2HB LEU 66 HB3 LEU 66 1.974 -6.301 1.217 536 HG LEU 66 HG LEU 66 -0.173 -8.335 0.627 537 1HD1 LEU 66 HD11 LEU 66 -1.220 -7.480 2.674 538 2HD1 LEU 66 HD12 LEU 66 0.337 -8.244 2.997 539 3HD1 LEU 66 HD13 LEU 66 0.206 -6.485 2.975 540 1HD2 LEU 66 HD21 LEU 66 -0.409 -6.329 -0.722 541 2HD2 LEU 66 HD22 LEU 66 -1.657 -6.389 0.523 542 3HD2 LEU 66 HD23 LEU 66 -0.266 -5.323 0.720 543 H SER 67 HN SER 67 3.532 -5.272 -0.917 544 HA SER 67 HA SER 67 6.033 -6.743 -0.429 545 1HB SER 67 HB2 SER 67 5.657 -4.415 -2.339 546 2HB SER 67 HB3 SER 67 7.165 -5.276 -2.034 547 HG SER 67 HG SER 67 6.486 -6.369 -3.728 548 H ASP 68 HN ASP 68 6.614 -6.139 1.541 549 HA ASP 68 HA ASP 68 6.013 -3.456 2.516 550 1HB ASP 68 HB2 ASP 68 7.030 -5.968 3.837 551 2HB ASP 68 HB3 ASP 68 7.079 -4.413 4.658 552 H CYS 69 HN CYS 69 7.465 -1.921 2.016 553 HA CYS 69 HA CYS 69 10.288 -2.714 2.108 554 1HB CYS 69 HB2 CYS 69 8.880 -0.382 0.829 555 2HB CYS 69 HB3 CYS 69 10.630 -0.421 1.025 556 H ASN 70 HN ASN 70 11.330 -2.354 3.844 557 HA ASN 70 HA ASN 70 10.327 -0.342 5.763 558 1HB ASN 70 HB2 ASN 70 11.669 -2.993 6.371 559 2HB ASN 70 HB3 ASN 70 11.023 -1.857 7.546 560 1HD2 ASN 70 HD21 ASN 70 10.406 -4.690 6.989 561 2HD2 ASN 70 HD22 ASN 70 8.690 -4.730 6.742 562 H VAL 71 HN VAL 71 11.930 0.573 7.162 563 HA VAL 71 HA VAL 71 14.437 1.049 5.830 564 HB VAL 71 HB VAL 71 13.160 2.817 7.047 565 1HG1 VAL 71 HG11 VAL 71 13.405 2.971 9.493 566 2HG1 VAL 71 HG12 VAL 71 12.426 1.595 8.978 567 3HG1 VAL 71 HG13 VAL 71 14.095 1.346 9.499 568 1HG2 VAL 71 HG21 VAL 71 15.994 2.341 7.966 569 2HG2 VAL 71 HG22 VAL 71 15.492 3.160 6.487 570 3HG2 VAL 71 HG23 VAL 71 15.136 3.879 8.058 571 H THR 72 HN THR 72 16.352 0.268 6.288 572 HA THR 72 HA THR 72 16.398 -2.158 7.869 573 HB THR 72 HB THR 72 18.685 -2.410 6.828 574 HG1 THR 72 HG1 THR 72 17.868 -0.205 5.222 575 1HG2 THR 72 HG21 THR 72 16.711 -3.463 5.838 576 2HG2 THR 72 HG22 THR 72 17.828 -2.912 4.587 577 3HG2 THR 72 HG23 THR 72 16.367 -1.986 4.937 578 H SER 73 HN SER 73 19.335 -1.912 8.121 579 HA SER 73 HA SER 73 19.389 -0.592 10.696 580 1HB SER 73 HB2 SER 73 20.434 -2.809 10.430 581 2HB SER 73 HB3 SER 73 21.549 -2.115 9.265 582 HG SER 73 HG SER 73 22.222 -0.674 10.991 583 H ARG 74 HN ARG 74 19.888 0.266 7.534 584 HA ARG 74 HA ARG 74 21.647 2.460 8.330 585 1HB ARG 74 HB2 ARG 74 22.809 1.288 6.657 586 2HB ARG 74 HB3 ARG 74 21.344 0.978 5.733 587 1HG ARG 74 HG2 ARG 74 21.202 3.282 5.108 588 2HG ARG 74 HG3 ARG 74 22.604 3.681 6.103 589 1HD ARG 74 HD2 ARG 74 24.018 2.285 4.708 590 2HD ARG 74 HD3 ARG 74 22.622 1.791 3.750 591 HE ARG 74 HE ARG 74 22.543 4.447 3.465 592 1HH1 ARG 74 HH12 ARG 74 25.217 2.200 3.196 593 2HH1 ARG 74 HH11 ARG 74 26.064 3.156 2.014 594 1HH2 ARG 74 HH22 ARG 74 23.632 5.699 1.934 595 2HH2 ARG 74 HH21 ARG 74 25.143 5.156 1.280 596 HA PRO 75 HA PRO 75 18.096 5.016 7.956 597 1HB PRO 75 HB2 PRO 75 19.386 7.389 7.403 598 2HB PRO 75 HB3 PRO 75 19.153 6.720 9.021 599 1HG PRO 75 HG2 PRO 75 21.553 6.629 7.257 600 2HG PRO 75 HG3 PRO 75 21.460 6.816 9.017 601 1HD PRO 75 HD2 PRO 75 22.130 4.475 7.849 602 2HD PRO 75 HD3 PRO 75 21.220 4.544 9.368 603 H CYS 76 HN CYS 76 16.756 5.256 6.354 604 HA CYS 76 HA CYS 76 15.832 5.638 4.339 605 1HB CYS 76 HB2 CYS 76 18.428 7.065 3.728 606 2HB CYS 76 HB3 CYS 76 16.972 7.145 2.740 607 H LYS 77 HN LYS 77 17.841 3.330 4.864 608 HA LYS 77 HA LYS 77 18.001 2.491 2.050 609 1HB LYS 77 HB2 LYS 77 20.102 2.251 3.268 610 2HB LYS 77 HB3 LYS 77 19.297 1.306 4.516 611 1HG LYS 77 HG2 LYS 77 20.583 -0.085 2.958 612 2HG LYS 77 HG3 LYS 77 18.861 -0.473 2.943 613 1HD LYS 77 HD2 LYS 77 18.611 0.959 0.928 614 2HD LYS 77 HD3 LYS 77 20.359 1.188 0.918 615 1HE LYS 77 HE2 LYS 77 18.989 -1.493 0.743 616 2HE LYS 77 HE3 LYS 77 19.548 -0.570 -0.651 617 1HZ LYS 77 HZ1 LYS 77 21.178 -2.202 -0.067 618 2HZ LYS 77 HZ2 LYS 77 21.237 -1.662 1.535 619 3HZ LYS 77 HZ3 LYS 77 21.808 -0.668 0.289 620 H TYR 78 HN TYR 78 16.672 0.909 1.303 621 HA TYR 78 HA TYR 78 14.598 0.077 3.207 622 1HB TYR 78 HB2 TYR 78 14.216 0.115 0.228 623 2HB TYR 78 HB3 TYR 78 13.028 0.357 1.513 624 HD1 TYR 78 HD1 TYR 78 13.100 2.542 2.824 625 HD2 TYR 78 HD2 TYR 78 15.299 1.931 -0.765 626 HE1 TYR 78 HE1 TYR 78 13.368 4.974 2.575 627 HE2 TYR 78 HE2 TYR 78 15.567 4.357 -1.025 628 HH TYR 78 HH TYR 78 14.625 6.399 -0.316 629 H LYS 79 HN LYS 79 13.923 -1.983 3.321 630 HA LYS 79 HA LYS 79 15.276 -3.981 1.635 631 1HB LYS 79 HB2 LYS 79 15.790 -4.335 3.963 632 2HB LYS 79 HB3 LYS 79 14.098 -4.194 4.413 633 1HG LYS 79 HG2 LYS 79 14.703 -6.491 4.506 634 2HG LYS 79 HG3 LYS 79 13.645 -6.267 3.114 635 1HD LYS 79 HD2 LYS 79 15.443 -7.715 2.472 636 2HD LYS 79 HD3 LYS 79 15.674 -6.159 1.673 637 1HE LYS 79 HE2 LYS 79 17.356 -5.528 3.271 638 2HE LYS 79 HE3 LYS 79 17.039 -6.968 4.237 639 1HZ LYS 79 HZ1 LYS 79 18.989 -7.351 2.965 640 2HZ LYS 79 HZ2 LYS 79 18.245 -6.858 1.524 641 3HZ LYS 79 HZ3 LYS 79 17.761 -8.300 2.282 642 H LEU 80 HN LEU 80 14.060 -5.213 0.323 643 HA LEU 80 HA LEU 80 11.214 -4.691 0.179 644 1HB LEU 80 HB2 LEU 80 13.225 -5.474 -1.638 645 2HB LEU 80 HB3 LEU 80 12.086 -6.793 -1.565 646 HG LEU 80 HG LEU 80 11.368 -3.955 -2.178 647 1HD1 LEU 80 HD11 LEU 80 12.710 -4.885 -3.961 648 2HD1 LEU 80 HD12 LEU 80 11.698 -6.331 -3.997 649 3HD1 LEU 80 HD13 LEU 80 11.027 -4.771 -4.476 650 1HD2 LEU 80 HD21 LEU 80 9.566 -5.228 -1.123 651 2HD2 LEU 80 HD22 LEU 80 9.201 -4.846 -2.806 652 3HD2 LEU 80 HD23 LEU 80 9.730 -6.469 -2.363 653 H LYS 81 HN LYS 81 9.649 -5.969 0.892 654 HA LYS 81 HA LYS 81 10.317 -8.704 1.752 655 1HB LYS 81 HB2 LYS 81 10.171 -7.321 3.737 656 2HB LYS 81 HB3 LYS 81 8.641 -6.645 3.206 657 1HG LYS 81 HG2 LYS 81 7.605 -8.867 3.440 658 2HG LYS 81 HG3 LYS 81 9.144 -9.496 4.039 659 1HD LYS 81 HD2 LYS 81 9.074 -7.932 5.907 660 2HD LYS 81 HD3 LYS 81 7.561 -7.257 5.302 661 1HE LYS 81 HE2 LYS 81 7.950 -10.127 6.140 662 2HE LYS 81 HE3 LYS 81 7.272 -8.869 7.170 663 1HZ LYS 81 HZ1 LYS 81 5.564 -10.222 6.101 664 2HZ LYS 81 HZ2 LYS 81 6.122 -9.753 4.574 665 3HZ LYS 81 HZ3 LYS 81 5.454 -8.599 5.626 666 H LYS 82 HN LYS 82 9.340 -9.869 0.195 667 HA LYS 82 HA LYS 82 6.719 -9.041 -0.784 668 1HB LYS 82 HB2 LYS 82 8.592 -11.238 -1.689 669 2HB LYS 82 HB3 LYS 82 7.093 -10.783 -2.496 670 1HG LYS 82 HG2 LYS 82 7.953 -8.670 -3.109 671 2HG LYS 82 HG3 LYS 82 9.343 -8.848 -2.038 672 1HD LYS 82 HD2 LYS 82 10.182 -10.675 -3.428 673 2HD LYS 82 HD3 LYS 82 8.785 -10.506 -4.492 674 1HE LYS 82 HE2 LYS 82 9.466 -8.263 -5.086 675 2HE LYS 82 HE3 LYS 82 10.807 -8.339 -3.946 676 1HZ LYS 82 HZ1 LYS 82 10.482 -9.977 -6.406 677 2HZ LYS 82 HZ2 LYS 82 11.730 -10.173 -5.278 678 3HZ LYS 82 HZ3 LYS 82 11.606 -8.729 -6.155 679 H SER 83 HN SER 83 4.968 -9.785 0.174 680 HA SER 83 HA SER 83 4.920 -12.527 1.200 681 1HB SER 83 HB2 SER 83 3.993 -10.148 2.827 682 2HB SER 83 HB3 SER 83 4.045 -11.833 3.344 683 HG SER 83 HG SER 83 6.460 -11.403 2.643 684 H THR 84 HN THR 84 2.580 -13.025 1.971 685 HA THR 84 HA THR 84 0.605 -11.509 0.399 686 HB THR 84 HB THR 84 0.578 -14.527 0.588 687 HG1 THR 84 HG1 THR 84 2.055 -12.874 -0.998 688 1HG2 THR 84 HG21 THR 84 -0.924 -12.588 -1.175 689 2HG2 THR 84 HG22 THR 84 -1.597 -13.494 0.179 690 3HG2 THR 84 HG23 THR 84 -1.032 -14.347 -1.258 691 H ASN 85 HN ASN 85 -0.799 -10.699 1.797 692 HA ASN 85 HA ASN 85 -1.942 -12.327 3.890 693 1HB ASN 85 HB2 ASN 85 0.251 -11.035 4.701 694 2HB ASN 85 HB3 ASN 85 -0.904 -9.726 4.826 695 1HD2 ASN 85 HD21 ASN 85 0.536 -11.091 6.937 696 2HD2 ASN 85 HD22 ASN 85 -0.671 -11.720 8.009 697 H LYS 86 HN LYS 86 -3.831 -11.304 4.842 698 HA LYS 86 HA LYS 86 -5.229 -9.518 3.114 699 1HB LYS 86 HB2 LYS 86 -5.934 -10.050 5.994 700 2HB LYS 86 HB3 LYS 86 -7.015 -9.709 4.651 701 1HG LYS 86 HG2 LYS 86 -6.453 -11.918 3.686 702 2HG LYS 86 HG3 LYS 86 -5.471 -12.254 5.114 703 1HD LYS 86 HD2 LYS 86 -7.550 -11.793 6.475 704 2HD LYS 86 HD3 LYS 86 -8.429 -11.813 4.955 705 1HE LYS 86 HE2 LYS 86 -6.680 -14.090 5.806 706 2HE LYS 86 HE3 LYS 86 -8.367 -13.980 6.303 707 1HZ LYS 86 HZ1 LYS 86 -7.354 -14.116 3.508 708 2HZ LYS 86 HZ2 LYS 86 -8.984 -13.931 3.944 709 3HZ LYS 86 HZ3 LYS 86 -8.153 -15.349 4.351 710 H PHE 87 HN PHE 87 -6.123 -7.378 4.068 711 HA PHE 87 HA PHE 87 -4.445 -6.168 6.079 712 1HB PHE 87 HB2 PHE 87 -3.672 -4.312 4.630 713 2HB PHE 87 HB3 PHE 87 -2.989 -5.871 4.189 714 HD1 PHE 87 HD1 PHE 87 -3.841 -7.048 2.154 715 HD2 PHE 87 HD2 PHE 87 -4.977 -3.061 3.108 716 HE1 PHE 87 HE1 PHE 87 -4.612 -6.716 -0.159 717 HE2 PHE 87 HE2 PHE 87 -5.743 -2.729 0.798 718 HZ PHE 87 HZ PHE 87 -5.504 -4.558 -0.864 719 H CYS 88 HN CYS 88 -5.221 -4.196 6.869 720 HA CYS 88 HA CYS 88 -8.037 -3.733 6.207 721 1HB CYS 88 HB2 CYS 88 -7.605 -4.129 8.552 722 2HB CYS 88 HB3 CYS 88 -6.364 -2.880 8.578 723 H VAL 89 HN VAL 89 -8.517 -2.103 4.934 724 HA VAL 89 HA VAL 89 -6.719 0.222 4.868 725 HB VAL 89 HB VAL 89 -7.962 0.799 2.721 726 1HG1 VAL 89 HG11 VAL 89 -6.263 -1.692 2.834 727 2HG1 VAL 89 HG12 VAL 89 -6.627 -0.786 1.363 728 3HG1 VAL 89 HG13 VAL 89 -5.703 -0.029 2.659 729 1HG2 VAL 89 HG21 VAL 89 -9.888 -0.668 3.027 730 2HG2 VAL 89 HG22 VAL 89 -9.039 -1.064 1.532 731 3HG2 VAL 89 HG23 VAL 89 -8.838 -2.082 2.959 732 H THR 90 HN THR 90 -7.556 2.263 5.203 733 HA THR 90 HA THR 90 -10.107 2.353 6.566 734 HB THR 90 HB THR 90 -8.334 4.699 5.854 735 HG1 THR 90 HG1 THR 90 -7.913 2.650 7.625 736 1HG2 THR 90 HG21 THR 90 -9.385 5.727 7.818 737 2HG2 THR 90 HG22 THR 90 -10.360 4.277 8.058 738 3HG2 THR 90 HG23 THR 90 -10.589 5.265 6.616 739 H CYS 91 HN CYS 91 -11.845 2.283 5.275 740 HA CYS 91 HA CYS 91 -11.713 3.356 2.587 741 1HB CYS 91 HB2 CYS 91 -13.936 1.949 4.068 742 2HB CYS 91 HB3 CYS 91 -13.924 2.320 2.343 743 H GLU 92 HN GLU 92 -12.409 5.279 1.970 744 HA GLU 92 HA GLU 92 -14.688 6.492 3.298 745 1HB GLU 92 HB2 GLU 92 -12.611 7.344 4.445 746 2HB GLU 92 HB3 GLU 92 -12.142 8.050 2.908 747 1HG GLU 92 HG2 GLU 92 -14.128 9.442 2.913 748 2HG GLU 92 HG3 GLU 92 -14.653 8.704 4.422 749 H ASN 93 HN ASN 93 -15.941 7.618 1.909 750 HA ASN 93 HA ASN 93 -16.885 8.167 -0.077 751 1HB ASN 93 HB2 ASN 93 -14.054 9.038 -0.716 752 2HB ASN 93 HB3 ASN 93 -15.465 9.441 -1.689 753 1HD2 ASN 93 HD21 ASN 93 -13.636 10.159 1.117 754 2HD2 ASN 93 HD22 ASN 93 -14.574 11.511 1.650 755 H GLN 94 HN GLN 94 -15.917 5.483 0.264 756 HA GLN 94 HA GLN 94 -15.907 3.541 -0.879 757 1HB GLN 94 HB2 GLN 94 -16.606 5.304 -3.223 758 2HB GLN 94 HB3 GLN 94 -16.567 3.545 -3.287 759 1HG GLN 94 HG2 GLN 94 -18.245 3.542 -1.422 760 2HG GLN 94 HG3 GLN 94 -18.384 5.285 -1.646 761 1HE2 GLN 94 HE21 GLN 94 -17.833 3.121 -4.299 762 2HE2 GLN 94 HE22 GLN 94 -19.404 3.272 -5.008 763 H ALA 95 HN ALA 95 -13.511 5.167 -0.553 764 HA ALA 95 HA ALA 95 -11.858 3.606 -2.382 765 1HB ALA 95 HB1 ALA 95 -12.103 5.792 -3.464 766 2HB ALA 95 HB2 ALA 95 -11.501 6.580 -2.006 767 3HB ALA 95 HB3 ALA 95 -10.443 5.515 -2.934 768 HA PRO 96 HA PRO 96 -9.451 3.031 1.373 769 1HB PRO 96 HB2 PRO 96 -7.279 2.360 -0.492 770 2HB PRO 96 HB3 PRO 96 -8.010 1.371 0.775 771 1HG PRO 96 HG2 PRO 96 -8.413 0.918 -1.867 772 2HG PRO 96 HG3 PRO 96 -9.615 0.539 -0.630 773 1HD PRO 96 HD2 PRO 96 -9.551 2.774 -2.576 774 2HD PRO 96 HD3 PRO 96 -10.938 1.920 -1.883 775 H VAL 97 HN VAL 97 -9.017 5.060 2.150 776 HA VAL 97 HA VAL 97 -7.177 6.739 0.594 777 HB VAL 97 HB VAL 97 -8.028 8.631 1.956 778 1HG1 VAL 97 HG11 VAL 97 -10.152 7.032 0.531 779 2HG1 VAL 97 HG12 VAL 97 -10.220 8.760 0.882 780 3HG1 VAL 97 HG13 VAL 97 -9.000 8.133 -0.226 781 1HG2 VAL 97 HG21 VAL 97 -9.976 6.586 3.004 782 2HG2 VAL 97 HG22 VAL 97 -8.680 7.344 3.931 783 3HG2 VAL 97 HG23 VAL 97 -10.019 8.320 3.323 784 H HIS 98 HN HIS 98 -7.398 4.933 3.482 785 HA HIS 98 HA HIS 98 -4.766 5.932 4.278 786 1HB HIS 98 HB2 HIS 98 -7.097 5.637 6.193 787 2HB HIS 98 HB3 HIS 98 -5.435 5.940 6.671 788 HD1 HIS 98 HD1 HIS 98 -4.427 8.279 5.579 789 HD2 HIS 98 HD2 HIS 98 -8.553 7.887 5.885 790 HE1 HIS 98 HE1 HIS 98 -5.350 10.614 5.381 791 HE2 HIS 98 HE2 HIS 98 -7.850 10.297 5.267 792 H PHE 99 HN PHE 99 -3.600 4.405 5.659 793 HA PHE 99 HA PHE 99 -4.547 1.660 5.163 794 1HB PHE 99 HB2 PHE 99 -2.495 2.363 3.895 795 2HB PHE 99 HB3 PHE 99 -1.669 2.549 5.439 796 HD1 PHE 99 HD1 PHE 99 -0.491 0.779 6.299 797 HD2 PHE 99 HD2 PHE 99 -3.594 0.017 3.488 798 HE1 PHE 99 HE1 PHE 99 0.123 -1.601 6.278 799 HE2 PHE 99 HE2 PHE 99 -2.988 -2.367 3.463 800 HZ PHE 99 HZ PHE 99 -1.162 -3.188 4.821 801 H VAL 100 HN VAL 100 -4.754 0.311 6.843 802 HA VAL 100 HA VAL 100 -4.138 1.373 9.498 803 HB VAL 100 HB VAL 100 -5.863 -0.958 8.649 804 1HG1 VAL 100 HG11 VAL 100 -4.925 -1.477 10.797 805 2HG1 VAL 100 HG12 VAL 100 -5.317 0.134 11.406 806 3HG1 VAL 100 HG13 VAL 100 -6.610 -1.001 11.014 807 1HG2 VAL 100 HG21 VAL 100 -6.561 1.767 9.736 808 2HG2 VAL 100 HG22 VAL 100 -6.852 1.184 8.098 809 3HG2 VAL 100 HG23 VAL 100 -7.714 0.463 9.458 810 H GLY 101 HN GLY 101 -4.096 -1.937 8.140 811 1HA GLY 101 HA1 GLY 101 -1.328 -2.341 8.419 812 2HA GLY 101 HA2 GLY 101 -2.121 -2.912 9.881 813 H VAL 102 HN VAL 102 -0.816 -4.796 8.538 814 HA VAL 102 HA VAL 102 -2.762 -6.048 6.740 815 HB VAL 102 HB VAL 102 -1.107 -7.281 5.761 816 1HG1 VAL 102 HG11 VAL 102 -0.745 -4.951 5.256 817 2HG1 VAL 102 HG12 VAL 102 0.322 -4.791 6.653 818 3HG1 VAL 102 HG13 VAL 102 0.795 -5.812 5.295 819 1HG2 VAL 102 HG21 VAL 102 -0.244 -8.314 7.813 820 2HG2 VAL 102 HG22 VAL 102 1.046 -7.864 6.698 821 3HG2 VAL 102 HG23 VAL 102 0.720 -6.870 8.121 822 H GLY 103 HN GLY 103 -3.237 -8.293 6.948 823 1HA GLY 103 HA1 GLY 103 -3.395 -10.305 8.176 824 2HA GLY 103 HA2 GLY 103 -2.775 -9.470 9.593 825 H SER 104 HN SER 104 -4.251 -7.678 10.390 826 HA SER 104 HA SER 104 -7.087 -8.168 9.958 827 1HB SER 104 HB2 SER 104 -7.403 -8.275 12.486 828 2HB SER 104 HB3 SER 104 -6.701 -9.710 11.743 829 HG SER 104 HG SER 104 -5.705 -8.601 13.755 830 H CYS 105 HN CYS 105 -8.298 -6.585 11.574 831 HA CYS 105 HA CYS 105 -6.834 -4.026 11.546 832 1HB CYS 105 HB2 CYS 105 -8.777 -4.368 9.828 833 2HB CYS 105 HB3 CYS 105 -9.819 -4.154 11.225
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